smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000737337532 945045418 /nfs/dbraw/zinc/04/54/18/945045418.db2.gz FVWAAJDIUCTXRH-UHFFFAOYSA-N -1 3 346.394 2.927 20 30 EFEDHM Cc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000737337532 945045426 /nfs/dbraw/zinc/04/54/26/945045426.db2.gz FVWAAJDIUCTXRH-UHFFFAOYSA-N -1 3 346.394 2.927 20 30 EFEDHM C=C[C@H](CC)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000823882685 946498498 /nfs/dbraw/zinc/49/84/98/946498498.db2.gz BOLFIBDGAUQNLI-IUODEOHRSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C[C@H](CC)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000823882685 946498502 /nfs/dbraw/zinc/49/85/02/946498502.db2.gz BOLFIBDGAUQNLI-IUODEOHRSA-N -1 3 330.388 2.778 20 30 EFEDHM CC#CCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823937374 946523642 /nfs/dbraw/zinc/52/36/42/946523642.db2.gz UZTOQHJTBCZCNU-UHFFFAOYSA-N -1 3 347.378 2.802 20 30 EFEDHM CC#CCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823937374 946523649 /nfs/dbraw/zinc/52/36/49/946523649.db2.gz UZTOQHJTBCZCNU-UHFFFAOYSA-N -1 3 347.378 2.802 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001573281313 946674470 /nfs/dbraw/zinc/67/44/70/946674470.db2.gz XWIOFAMKOGVWQJ-CQSZACIVSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001573281313 946674477 /nfs/dbraw/zinc/67/44/77/946674477.db2.gz XWIOFAMKOGVWQJ-CQSZACIVSA-N -1 3 336.330 2.502 20 30 EFEDHM C#CCCOc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC001573282076 946684496 /nfs/dbraw/zinc/68/44/96/946684496.db2.gz FKUHVWRDCGHRJZ-UHFFFAOYSA-N -1 3 347.378 2.830 20 30 EFEDHM C#CCCOc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC001573282076 946684502 /nfs/dbraw/zinc/68/45/02/946684502.db2.gz FKUHVWRDCGHRJZ-UHFFFAOYSA-N -1 3 347.378 2.830 20 30 EFEDHM C#CCC1(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CCCCC1 ZINC001573285069 946768705 /nfs/dbraw/zinc/76/87/05/946768705.db2.gz QUTCFNHAYCBOCS-UHFFFAOYSA-N -1 3 327.363 2.918 20 30 EFEDHM C#CCC1(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CCCCC1 ZINC001573285069 946768719 /nfs/dbraw/zinc/76/87/19/946768719.db2.gz QUTCFNHAYCBOCS-UHFFFAOYSA-N -1 3 327.363 2.918 20 30 EFEDHM C#Cc1cncc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573290179 946899219 /nfs/dbraw/zinc/89/92/19/946899219.db2.gz GGKAHHPCBHPQCK-UHFFFAOYSA-N -1 3 346.394 2.546 20 30 EFEDHM C#Cc1cncc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573290179 946899228 /nfs/dbraw/zinc/89/92/28/946899228.db2.gz GGKAHHPCBHPQCK-UHFFFAOYSA-N -1 3 346.394 2.546 20 30 EFEDHM C=C(C)CONC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001573293859 946970042 /nfs/dbraw/zinc/97/00/42/946970042.db2.gz LZJSYDHHXQYWHI-UHFFFAOYSA-N -1 3 335.367 2.771 20 30 EFEDHM C=C(C)CONC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001573293859 946970048 /nfs/dbraw/zinc/97/00/48/946970048.db2.gz LZJSYDHHXQYWHI-UHFFFAOYSA-N -1 3 335.367 2.771 20 30 EFEDHM C=CC(C)(C)CC(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc21 ZINC001573307985 947185183 /nfs/dbraw/zinc/18/51/83/947185183.db2.gz XQBFSXRICGYIAC-UHFFFAOYSA-N -1 3 325.376 2.592 20 30 EFEDHM C=CC(C)(C)CC(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc21 ZINC001573307985 947185188 /nfs/dbraw/zinc/18/51/88/947185188.db2.gz XQBFSXRICGYIAC-UHFFFAOYSA-N -1 3 325.376 2.592 20 30 EFEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001573316464 947277980 /nfs/dbraw/zinc/27/79/80/947277980.db2.gz HLUGPMVTWQFPSC-SSDOTTSWSA-N -1 3 342.281 2.513 20 30 EFEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001573316464 947277985 /nfs/dbraw/zinc/27/79/85/947277985.db2.gz HLUGPMVTWQFPSC-SSDOTTSWSA-N -1 3 342.281 2.513 20 30 EFEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573319467 947330146 /nfs/dbraw/zinc/33/01/46/947330146.db2.gz OLUCLFGPDJIRGG-LLVKDONJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=CCC(C)(C)C(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573319467 947330159 /nfs/dbraw/zinc/33/01/59/947330159.db2.gz OLUCLFGPDJIRGG-LLVKDONJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=CCC(C)(C)C(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573319469 947330770 /nfs/dbraw/zinc/33/07/70/947330770.db2.gz OLUCLFGPDJIRGG-NSHDSACASA-N -1 3 346.410 2.525 20 30 EFEDHM C=CCC(C)(C)C(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573319469 947330783 /nfs/dbraw/zinc/33/07/83/947330783.db2.gz OLUCLFGPDJIRGG-NSHDSACASA-N -1 3 346.410 2.525 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001573326832 947380342 /nfs/dbraw/zinc/38/03/42/947380342.db2.gz WZFLDMJKFIZFKG-UHFFFAOYSA-N -1 3 330.298 2.565 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001573326832 947380356 /nfs/dbraw/zinc/38/03/56/947380356.db2.gz WZFLDMJKFIZFKG-UHFFFAOYSA-N -1 3 330.298 2.565 20 30 EFEDHM C=CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573334107 947446129 /nfs/dbraw/zinc/44/61/29/947446129.db2.gz JRDKOGMOFZVDCX-NEPJUHHUSA-N -1 3 346.410 2.667 20 30 EFEDHM C=CCCCC(=O)N[C@@H](C)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573334107 947446134 /nfs/dbraw/zinc/44/61/34/947446134.db2.gz JRDKOGMOFZVDCX-NEPJUHHUSA-N -1 3 346.410 2.667 20 30 EFEDHM C=CCCCC(=O)N[C@H](C)[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573334111 947447721 /nfs/dbraw/zinc/44/77/21/947447721.db2.gz JRDKOGMOFZVDCX-VXGBXAGGSA-N -1 3 346.410 2.667 20 30 EFEDHM C=CCCCC(=O)N[C@H](C)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573334111 947447725 /nfs/dbraw/zinc/44/77/25/947447725.db2.gz JRDKOGMOFZVDCX-VXGBXAGGSA-N -1 3 346.410 2.667 20 30 EFEDHM Cc1c(Cl)cnc(N(CCC#N)CCC(C)C)c1-c1nnn[n-]1 ZINC000826237352 947695329 /nfs/dbraw/zinc/69/53/29/947695329.db2.gz WSSKKHPUOUTFJH-UHFFFAOYSA-N -1 3 333.827 2.990 20 30 EFEDHM Cc1c(Cl)cnc(N(CCC#N)CCC(C)C)c1-c1nn[n-]n1 ZINC000826237352 947695332 /nfs/dbraw/zinc/69/53/32/947695332.db2.gz WSSKKHPUOUTFJH-UHFFFAOYSA-N -1 3 333.827 2.990 20 30 EFEDHM CC(=O)[C@](C#N)(CCN1CCC(C)(C(=O)[O-])CC1)c1ccccc1 ZINC001602737069 971427870 /nfs/dbraw/zinc/42/78/70/971427870.db2.gz GOYQIJGHNWEURA-LJQANCHMSA-N -1 3 328.412 2.614 20 30 EFEDHM N#Cc1ccc(NC(=O)CCCc2ccsc2)cc1-c1nnn[n-]1 ZINC000826385237 948188639 /nfs/dbraw/zinc/18/86/39/948188639.db2.gz CNAACXORPRQNDH-UHFFFAOYSA-N -1 3 338.396 2.761 20 30 EFEDHM N#Cc1ccc(NC(=O)CCCc2ccsc2)cc1-c1nn[n-]n1 ZINC000826385237 948188643 /nfs/dbraw/zinc/18/86/43/948188643.db2.gz CNAACXORPRQNDH-UHFFFAOYSA-N -1 3 338.396 2.761 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001542565251 948552893 /nfs/dbraw/zinc/55/28/93/948552893.db2.gz XJMZBXHEKOJDIX-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001542565251 948552898 /nfs/dbraw/zinc/55/28/98/948552898.db2.gz XJMZBXHEKOJDIX-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM CC(C)c1ncsc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001574433818 948964881 /nfs/dbraw/zinc/96/48/81/948964881.db2.gz RIPALMPYBXGXNE-UHFFFAOYSA-N -1 3 339.384 2.571 20 30 EFEDHM CC(C)c1ncsc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001574433818 948964894 /nfs/dbraw/zinc/96/48/94/948964894.db2.gz RIPALMPYBXGXNE-UHFFFAOYSA-N -1 3 339.384 2.571 20 30 EFEDHM C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C(=O)[O-] ZINC001589352811 954090679 /nfs/dbraw/zinc/09/06/79/954090679.db2.gz GCGVLYZJDJANDQ-DOMZBBRYSA-N -1 3 341.329 2.979 20 30 EFEDHM C[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(=O)[O-] ZINC001589352812 954091595 /nfs/dbraw/zinc/09/15/95/954091595.db2.gz GCGVLYZJDJANDQ-IUODEOHRSA-N -1 3 341.329 2.979 20 30 EFEDHM C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1C(=O)[O-] ZINC001589396283 954380551 /nfs/dbraw/zinc/38/05/51/954380551.db2.gz XNKWLFIFXYYFEU-SWLSCSKDSA-N -1 3 341.329 2.979 20 30 EFEDHM C[C@H](NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1)c1ccc(C#N)cc1F ZINC001603248246 972410772 /nfs/dbraw/zinc/41/07/72/972410772.db2.gz VIFDQADKMIRGBC-BTTVTARESA-N -1 3 332.375 2.760 20 30 EFEDHM C=C(C)CCC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001344521738 962183489 /nfs/dbraw/zinc/18/34/89/962183489.db2.gz CVNYTRRYBVNWAH-LJQANCHMSA-N -1 3 330.428 2.578 20 30 EFEDHM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@H]2CCCO2)cc1F ZINC001571211345 962459064 /nfs/dbraw/zinc/45/90/64/962459064.db2.gz GIHBOSNVDVHEJF-RRQGHBQHSA-N -1 3 332.375 2.542 20 30 EFEDHM C=CCCC[C@@H](NC(=O)c1ccc(NC2=NCCC2)cc1)C(=O)[O-] ZINC001573367653 963068453 /nfs/dbraw/zinc/06/84/53/963068453.db2.gz YXPLSVMLZVZWGM-OAHLLOKOSA-N -1 3 329.400 2.830 20 30 EFEDHM N#CC(C(=O)CCCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001605575807 973840804 /nfs/dbraw/zinc/84/08/04/973840804.db2.gz BBWCYIFTUMWXHV-NSHDSACASA-N -1 3 343.166 2.896 20 30 EFEDHM CCOc1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000737192317 978385777 /nfs/dbraw/zinc/38/57/77/978385777.db2.gz STABBBZMOFAEMT-GOSISDBHSA-N -1 3 340.379 2.881 20 30 EFEDHM C=CCOC[C@H](NCc1cc(Cl)cc(Cl)c1OC)C(=O)[O-] ZINC000901810289 980531894 /nfs/dbraw/zinc/53/18/94/980531894.db2.gz KSVRCRIMDQJDAZ-LBPRGKRZSA-N -1 3 334.199 2.747 20 30 EFEDHM CCCCCCC[C@@H](C)CNC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001595704627 982277585 /nfs/dbraw/zinc/27/75/85/982277585.db2.gz DWHZAUOQOIHGSR-HZPDHXFCSA-N -1 3 341.496 2.641 20 30 EFEDHM C#C[C@H](NCc1ccc(C(=O)[O-])cc1C(F)(F)F)C1CCOCC1 ZINC001588377740 983358800 /nfs/dbraw/zinc/35/88/00/983358800.db2.gz QFBHPPLZNVAKFE-HNNXBMFYSA-N -1 3 341.329 2.922 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C ZINC001588622622 983724066 /nfs/dbraw/zinc/72/40/66/983724066.db2.gz AIUNKKUGXJYNAT-HNNXBMFYSA-N -1 3 336.457 2.548 20 30 EFEDHM C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001588641994 983763805 /nfs/dbraw/zinc/76/38/05/983763805.db2.gz ODIRVIQGIRRJAV-CYBMUJFWSA-N -1 3 342.848 2.803 20 30 EFEDHM C=C[C@@H](N[C@H]1CSCc2ccc(Br)cc21)C(=O)[O-] ZINC001588696597 983903640 /nfs/dbraw/zinc/90/36/40/983903640.db2.gz PONDMJOXHGDYJG-NEPJUHHUSA-N -1 3 328.231 2.966 20 30 EFEDHM C=CC[C@@H]1N(CC(=O)NC2(C(=O)[O-])CCCCC2)CCCC1(C)C ZINC001588773861 984149768 /nfs/dbraw/zinc/14/97/68/984149768.db2.gz LPFSLKXQYGMAAH-HNNXBMFYSA-N -1 3 336.476 2.957 20 30 EFEDHM C=CCCC[C@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001588797858 984231666 /nfs/dbraw/zinc/23/16/66/984231666.db2.gz MQBCLIUEDYLDCN-SFHVURJKSA-N -1 3 344.455 2.997 20 30 EFEDHM CCO[C@@H]1C[C@@](NCc2ccc(Cl)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596839470 985518766 /nfs/dbraw/zinc/51/87/66/985518766.db2.gz SFFIODKDCJHJEC-RHSMWYFYSA-N -1 3 336.819 2.960 20 30 EFEDHM CN(C1CCCC1)C(C)(C)C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598370437 991532378 /nfs/dbraw/zinc/53/23/78/991532378.db2.gz PDJJUGRDXSCBRW-MRXNPFEDSA-N -1 3 344.411 2.880 20 30 EFEDHM CN(CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598376600 991567787 /nfs/dbraw/zinc/56/77/87/991567787.db2.gz WSDFHEUMLBZHJS-BETUJISGSA-N -1 3 327.302 2.732 20 30 EFEDHM C[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1OCC(=O)[O-] ZINC001593270905 994598986 /nfs/dbraw/zinc/59/89/86/994598986.db2.gz BEXUJSYPKPEYTC-CQSZACIVSA-N -1 3 340.379 2.751 20 30 EFEDHM COc1cccc([C@H](NCc2ccc(OCC#N)cc2)C(=O)[O-])c1 ZINC001599659954 994640516 /nfs/dbraw/zinc/64/05/16/994640516.db2.gz RBSGLLSUNYUSND-KRWDZBQOSA-N -1 3 326.352 2.513 20 30 EFEDHM COc1cc(CN[C@](C)(C(=O)[O-])c2ccc(F)cc2)ccc1C#N ZINC001599416378 997520192 /nfs/dbraw/zinc/52/01/92/997520192.db2.gz VVUNQVWEZFWENI-SFHVURJKSA-N -1 3 328.343 2.796 20 30 EFEDHM CO[C@@H]1CCC[C@@H]([C@@H](NCC#Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001599109799 997545209 /nfs/dbraw/zinc/54/52/09/997545209.db2.gz KWIJBLAURHVCAM-DJIMGWMZSA-N -1 3 335.831 2.940 20 30 EFEDHM COC(=O)c1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001598972289 998540024 /nfs/dbraw/zinc/54/00/24/998540024.db2.gz RUOLOHPMTRGWPE-QGZVFWFLSA-N -1 3 338.363 2.603 20 30 EFEDHM C[C@H]1C[C@H](Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001575968108 1088812683 /nfs/dbraw/zinc/81/26/83/1088812683.db2.gz AGSIWJQLKXJVMM-JZYVYDRUSA-N -1 3 329.433 2.632 20 30 EFEDHM C[C@H]1C[C@H](Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001575968108 1088812700 /nfs/dbraw/zinc/81/27/00/1088812700.db2.gz AGSIWJQLKXJVMM-JZYVYDRUSA-N -1 3 329.433 2.632 20 30 EFEDHM CCCCCCCNC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001577504972 1090016956 /nfs/dbraw/zinc/01/69/56/1090016956.db2.gz HECBMMREUVRORZ-INIZCTEOSA-N -1 3 342.447 2.604 20 30 EFEDHM CCCCCCCNC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001577504972 1090016973 /nfs/dbraw/zinc/01/69/73/1090016973.db2.gz HECBMMREUVRORZ-INIZCTEOSA-N -1 3 342.447 2.604 20 30 EFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C#N)cc(C)n1 ZINC001577660017 1090113891 /nfs/dbraw/zinc/11/38/91/1090113891.db2.gz SMMGUBDACVMMGL-UHFFFAOYSA-N -1 3 333.399 2.858 20 30 EFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C#N)cc(C)n1 ZINC001577660017 1090113896 /nfs/dbraw/zinc/11/38/96/1090113896.db2.gz SMMGUBDACVMMGL-UHFFFAOYSA-N -1 3 333.399 2.858 20 30 EFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC001578523423 1090390259 /nfs/dbraw/zinc/39/02/59/1090390259.db2.gz LZPNGSQHZHDASV-QGZVFWFLSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC001578523423 1090390264 /nfs/dbraw/zinc/39/02/64/1090390264.db2.gz LZPNGSQHZHDASV-QGZVFWFLSA-N -1 3 346.394 2.732 20 30 EFEDHM COc1cc(C#N)ccc1OCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001579890241 1090716468 /nfs/dbraw/zinc/71/64/68/1090716468.db2.gz NWXLQQVKDRPWJG-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C#N)ccc1OCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001579890241 1090716472 /nfs/dbraw/zinc/71/64/72/1090716472.db2.gz NWXLQQVKDRPWJG-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccccc1[C@]1(C)C[C@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001580079996 1090766993 /nfs/dbraw/zinc/76/69/93/1090766993.db2.gz URQTUDYBNUJIST-APWZRJJASA-N -1 3 346.394 2.889 20 30 EFEDHM COc1ccccc1[C@]1(C)C[C@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001580079996 1090766997 /nfs/dbraw/zinc/76/69/97/1090766997.db2.gz URQTUDYBNUJIST-APWZRJJASA-N -1 3 346.394 2.889 20 30 EFEDHM C[C@@H](OC(=O)c1csc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001580312277 1090859355 /nfs/dbraw/zinc/85/93/55/1090859355.db2.gz ZXBVBKHVJVWMMK-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](OC(=O)c1csc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001580312277 1090859362 /nfs/dbraw/zinc/85/93/62/1090859362.db2.gz ZXBVBKHVJVWMMK-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM Cc1c(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC001580526957 1090934176 /nfs/dbraw/zinc/93/41/76/1090934176.db2.gz BUEUTARNRXQZBQ-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1c(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC001580526957 1090934181 /nfs/dbraw/zinc/93/41/81/1090934181.db2.gz BUEUTARNRXQZBQ-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1c(C(=O)N2CCCc3cc(C#N)ccc32)cccc1-c1nnn[n-]1 ZINC001580532115 1090936803 /nfs/dbraw/zinc/93/68/03/1090936803.db2.gz NBRDEERKTVOENZ-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1c(C(=O)N2CCCc3cc(C#N)ccc32)cccc1-c1nn[n-]n1 ZINC001580532115 1090936807 /nfs/dbraw/zinc/93/68/07/1090936807.db2.gz NBRDEERKTVOENZ-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1cc(C#N)ccc1CN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001580769089 1091003233 /nfs/dbraw/zinc/00/32/33/1091003233.db2.gz ZWSIZOLJIIIZDH-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1cc(C#N)ccc1CN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001580769089 1091003239 /nfs/dbraw/zinc/00/32/39/1091003239.db2.gz ZWSIZOLJIIIZDH-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc(C)c1-c1nnn[n-]1 ZINC001580821627 1091021059 /nfs/dbraw/zinc/02/10/59/1091021059.db2.gz DNRUBJRSWVAVDV-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc(C)c1-c1nn[n-]n1 ZINC001580821627 1091021066 /nfs/dbraw/zinc/02/10/66/1091021066.db2.gz DNRUBJRSWVAVDV-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1nc(NCCc2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1C#N ZINC001581523997 1091175996 /nfs/dbraw/zinc/17/59/96/1091175996.db2.gz NMSREPFAZAPBOM-UHFFFAOYSA-N -1 3 339.790 2.750 20 30 EFEDHM Cc1nc(NCCc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1C#N ZINC001581523997 1091175998 /nfs/dbraw/zinc/17/59/98/1091175998.db2.gz NMSREPFAZAPBOM-UHFFFAOYSA-N -1 3 339.790 2.750 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3cccnc3c2)ccc1-c1nnn[n-]1 ZINC001581866694 1091324066 /nfs/dbraw/zinc/32/40/66/1091324066.db2.gz QIOQYGWJZODCHJ-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3cccnc3c2)ccc1-c1nn[n-]n1 ZINC001581866694 1091324077 /nfs/dbraw/zinc/32/40/77/1091324077.db2.gz QIOQYGWJZODCHJ-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(CSc2ccccc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001581872151 1091326457 /nfs/dbraw/zinc/32/64/57/1091326457.db2.gz MKEFUYSYEJQSBL-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1ccc(CSc2ccccc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001581872151 1091326466 /nfs/dbraw/zinc/32/64/66/1091326466.db2.gz MKEFUYSYEJQSBL-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1cc2c(nc1OCc1cccc(-c3nnn[n-]3)c1)CCCCC2 ZINC001581870807 1091327752 /nfs/dbraw/zinc/32/77/52/1091327752.db2.gz TUGQTKYKNAUJNG-UHFFFAOYSA-N -1 3 346.394 2.981 20 30 EFEDHM N#Cc1cc2c(nc1OCc1cccc(-c3nn[n-]n3)c1)CCCCC2 ZINC001581870807 1091327758 /nfs/dbraw/zinc/32/77/58/1091327758.db2.gz TUGQTKYKNAUJNG-UHFFFAOYSA-N -1 3 346.394 2.981 20 30 EFEDHM C#C[C@@H](CC)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588325981 1092924666 /nfs/dbraw/zinc/92/46/66/1092924666.db2.gz AWRUSSFVLCNELJ-NSHDSACASA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@@H](CC)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588325981 1092924671 /nfs/dbraw/zinc/92/46/71/1092924671.db2.gz AWRUSSFVLCNELJ-NSHDSACASA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588329269 1092924730 /nfs/dbraw/zinc/92/47/30/1092924730.db2.gz BYWDWQWUZWXWBS-HNNXBMFYSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588329269 1092924736 /nfs/dbraw/zinc/92/47/36/1092924736.db2.gz BYWDWQWUZWXWBS-HNNXBMFYSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC001588330194 1092925167 /nfs/dbraw/zinc/92/51/67/1092925167.db2.gz WXFHDBCTPOUTMH-OAHLLOKOSA-N -1 3 332.367 2.671 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC001588330194 1092925176 /nfs/dbraw/zinc/92/51/76/1092925176.db2.gz WXFHDBCTPOUTMH-OAHLLOKOSA-N -1 3 332.367 2.671 20 30 EFEDHM C#C[C@H](CC)NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588326462 1092925632 /nfs/dbraw/zinc/92/56/32/1092925632.db2.gz MKBQUDYOJYGOMQ-SECBINFHSA-N -1 3 332.433 2.759 20 30 EFEDHM C#C[C@H](CC)NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588326462 1092925637 /nfs/dbraw/zinc/92/56/37/1092925637.db2.gz MKBQUDYOJYGOMQ-SECBINFHSA-N -1 3 332.433 2.759 20 30 EFEDHM C#CCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001588341050 1092927669 /nfs/dbraw/zinc/92/76/69/1092927669.db2.gz TUGRVXAJFFIZMO-UHFFFAOYSA-N -1 3 345.406 2.953 20 30 EFEDHM C#CCCCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001588341050 1092927680 /nfs/dbraw/zinc/92/76/80/1092927680.db2.gz TUGRVXAJFFIZMO-UHFFFAOYSA-N -1 3 345.406 2.953 20 30 EFEDHM C#CC1(NC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CCCC1 ZINC001588333586 1092927744 /nfs/dbraw/zinc/92/77/44/1092927744.db2.gz XTYMHUBTADMZQH-UHFFFAOYSA-N -1 3 336.399 2.812 20 30 EFEDHM C#CC1(NC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CCCC1 ZINC001588333586 1092927755 /nfs/dbraw/zinc/92/77/55/1092927755.db2.gz XTYMHUBTADMZQH-UHFFFAOYSA-N -1 3 336.399 2.812 20 30 EFEDHM C#CCCCCC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001588344208 1092928116 /nfs/dbraw/zinc/92/81/16/1092928116.db2.gz HXKAPEUZMPAOGX-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM C#CCCCCC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001588344208 1092928121 /nfs/dbraw/zinc/92/81/21/1092928121.db2.gz HXKAPEUZMPAOGX-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM C#C[C@@H]1CCCCN1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588333088 1092928195 /nfs/dbraw/zinc/92/81/95/1092928195.db2.gz YDKBXMICLOYALE-CQSZACIVSA-N -1 3 336.399 2.764 20 30 EFEDHM C#C[C@@H]1CCCCN1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588333088 1092928203 /nfs/dbraw/zinc/92/82/03/1092928203.db2.gz YDKBXMICLOYALE-CQSZACIVSA-N -1 3 336.399 2.764 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588333838 1092929271 /nfs/dbraw/zinc/92/92/71/1092929271.db2.gz GCIMFCUNVZEQKT-AWEZNQCLSA-N -1 3 348.366 2.821 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588333838 1092929278 /nfs/dbraw/zinc/92/92/78/1092929278.db2.gz GCIMFCUNVZEQKT-AWEZNQCLSA-N -1 3 348.366 2.821 20 30 EFEDHM C#CCC(C)(C)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588331393 1092929612 /nfs/dbraw/zinc/92/96/12/1092929612.db2.gz ROIBFBDNGFPFBJ-UHFFFAOYSA-N -1 3 337.427 2.622 20 30 EFEDHM C#CCC(C)(C)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588331393 1092929621 /nfs/dbraw/zinc/92/96/21/1092929621.db2.gz ROIBFBDNGFPFBJ-UHFFFAOYSA-N -1 3 337.427 2.622 20 30 EFEDHM C#CCC1(NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)CCCCC1 ZINC001588334610 1092930118 /nfs/dbraw/zinc/93/01/18/1092930118.db2.gz CKEZYAPZOOAASQ-UHFFFAOYSA-N -1 3 337.427 2.940 20 30 EFEDHM C#CCC1(NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)CCCCC1 ZINC001588334610 1092930125 /nfs/dbraw/zinc/93/01/25/1092930125.db2.gz CKEZYAPZOOAASQ-UHFFFAOYSA-N -1 3 337.427 2.940 20 30 EFEDHM C#CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001588334262 1092930344 /nfs/dbraw/zinc/93/03/44/1092930344.db2.gz RNHFZRKEFRHNFJ-MRXNPFEDSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001588334262 1092930360 /nfs/dbraw/zinc/93/03/60/1092930360.db2.gz RNHFZRKEFRHNFJ-MRXNPFEDSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CCCCCCC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001588344742 1092931837 /nfs/dbraw/zinc/93/18/37/1092931837.db2.gz CGSSGCWBRFXNGN-UHFFFAOYSA-N -1 3 331.351 2.537 20 30 EFEDHM C#CCCCCCC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001588344742 1092931844 /nfs/dbraw/zinc/93/18/44/1092931844.db2.gz CGSSGCWBRFXNGN-UHFFFAOYSA-N -1 3 331.351 2.537 20 30 EFEDHM C#CCCCOc1cccnc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588345545 1092931918 /nfs/dbraw/zinc/93/19/18/1092931918.db2.gz KOQGPOTYLIIHGC-UHFFFAOYSA-N -1 3 346.394 2.574 20 30 EFEDHM C#CCCCOc1cccnc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588345545 1092931927 /nfs/dbraw/zinc/93/19/27/1092931927.db2.gz KOQGPOTYLIIHGC-UHFFFAOYSA-N -1 3 346.394 2.574 20 30 EFEDHM C#CCOc1ccccc1CNc1cc(C(C)=O)ccc1-c1nnn[n-]1 ZINC001588363164 1092932525 /nfs/dbraw/zinc/93/25/25/1092932525.db2.gz NZTFPDKCYWGNJT-UHFFFAOYSA-N -1 3 347.378 2.693 20 30 EFEDHM C#CCOc1ccccc1CNc1cc(C(C)=O)ccc1-c1nn[n-]n1 ZINC001588363164 1092932536 /nfs/dbraw/zinc/93/25/36/1092932536.db2.gz NZTFPDKCYWGNJT-UHFFFAOYSA-N -1 3 347.378 2.693 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)Cc1cccc(F)c1-c1nnn[n-]1 ZINC001588350696 1092932975 /nfs/dbraw/zinc/93/29/75/1092932975.db2.gz LUJOWSQWLFEFCI-UHFFFAOYSA-N -1 3 339.349 2.780 20 30 EFEDHM C#CCCOc1ccc(CN2Cc3cccc(-c4nn[n-]n4)c3C2)cc1 ZINC001588347551 1092933183 /nfs/dbraw/zinc/93/31/83/1092933183.db2.gz RQEUIRUSNLZYOS-UHFFFAOYSA-N -1 3 345.406 2.785 20 30 EFEDHM C#Cc1ccc(CNC(=O)Nc2scc(C)c2-c2nnn[n-]2)cc1 ZINC001588373235 1092934427 /nfs/dbraw/zinc/93/44/27/1092934427.db2.gz FGCFZCKIUUQPBR-UHFFFAOYSA-N -1 3 338.396 2.540 20 30 EFEDHM C#Cc1ccc(CNC(=O)Nc2scc(C)c2-c2nn[n-]n2)cc1 ZINC001588373235 1092934437 /nfs/dbraw/zinc/93/44/37/1092934437.db2.gz FGCFZCKIUUQPBR-UHFFFAOYSA-N -1 3 338.396 2.540 20 30 EFEDHM C#Cc1ccc(NC(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588374629 1092934603 /nfs/dbraw/zinc/93/46/03/1092934603.db2.gz FEMFEWRAXUMASJ-UHFFFAOYSA-N -1 3 346.394 2.905 20 30 EFEDHM C#Cc1ccc(NC(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588374629 1092934608 /nfs/dbraw/zinc/93/46/08/1092934608.db2.gz FEMFEWRAXUMASJ-UHFFFAOYSA-N -1 3 346.394 2.905 20 30 EFEDHM C#Cc1ccccc1CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588377106 1092935077 /nfs/dbraw/zinc/93/50/77/1092935077.db2.gz PNANXVRJEXWGLN-CYBMUJFWSA-N -1 3 332.363 2.695 20 30 EFEDHM C#Cc1ccccc1CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588377106 1092935083 /nfs/dbraw/zinc/93/50/83/1092935083.db2.gz PNANXVRJEXWGLN-CYBMUJFWSA-N -1 3 332.363 2.695 20 30 EFEDHM C#Cc1cccc(NC(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)c1 ZINC001588375101 1092935498 /nfs/dbraw/zinc/93/54/98/1092935498.db2.gz FOXLDQMTJCQJSQ-UHFFFAOYSA-N -1 3 328.335 2.582 20 30 EFEDHM C#Cc1cccc(NC(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)c1 ZINC001588375101 1092935504 /nfs/dbraw/zinc/93/55/04/1092935504.db2.gz FOXLDQMTJCQJSQ-UHFFFAOYSA-N -1 3 328.335 2.582 20 30 EFEDHM C#Cc1cccc(N(CC)Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001588374717 1092935911 /nfs/dbraw/zinc/93/59/11/1092935911.db2.gz KURJDABZLQGROI-UHFFFAOYSA-N -1 3 348.366 2.783 20 30 EFEDHM C#Cc1cccc(N(CC)Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001588374717 1092935918 /nfs/dbraw/zinc/93/59/18/1092935918.db2.gz KURJDABZLQGROI-UHFFFAOYSA-N -1 3 348.366 2.783 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588406023 1092942448 /nfs/dbraw/zinc/94/24/48/1092942448.db2.gz RBOFFBVWHGXOLP-ZDUSSCGKSA-N -1 3 330.388 2.781 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588406023 1092942458 /nfs/dbraw/zinc/94/24/58/1092942458.db2.gz RBOFFBVWHGXOLP-ZDUSSCGKSA-N -1 3 330.388 2.781 20 30 EFEDHM C=C(C)C[C@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001588403990 1092942771 /nfs/dbraw/zinc/94/27/71/1092942771.db2.gz BDQISYVYEBMTSQ-SNVBAGLBSA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)C[C@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001588403990 1092942782 /nfs/dbraw/zinc/94/27/82/1092942782.db2.gz BDQISYVYEBMTSQ-SNVBAGLBSA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)CCNC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588424792 1092944666 /nfs/dbraw/zinc/94/46/66/1092944666.db2.gz NLKOOWWVVFNHFF-HNNXBMFYSA-N -1 3 326.404 2.510 20 30 EFEDHM C=C(C)CCNC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588424792 1092944679 /nfs/dbraw/zinc/94/46/79/1092944679.db2.gz NLKOOWWVVFNHFF-HNNXBMFYSA-N -1 3 326.404 2.510 20 30 EFEDHM C=C(C)CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001588424831 1092945571 /nfs/dbraw/zinc/94/55/71/1092945571.db2.gz OEWGRRDZTWUFJX-UHFFFAOYSA-N -1 3 328.420 2.753 20 30 EFEDHM C=C(C)CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001588424831 1092945578 /nfs/dbraw/zinc/94/55/78/1092945578.db2.gz OEWGRRDZTWUFJX-UHFFFAOYSA-N -1 3 328.420 2.753 20 30 EFEDHM C=C(C)CONC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588430250 1092945980 /nfs/dbraw/zinc/94/59/80/1092945980.db2.gz UTQPETGTSRFYOH-UHFFFAOYSA-N -1 3 346.391 2.673 20 30 EFEDHM C=C(C)CONC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588430250 1092945985 /nfs/dbraw/zinc/94/59/85/1092945985.db2.gz UTQPETGTSRFYOH-UHFFFAOYSA-N -1 3 346.391 2.673 20 30 EFEDHM C=C1CCC(CNC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588462039 1092946289 /nfs/dbraw/zinc/94/62/89/1092946289.db2.gz AWAZWVXMVUZCOZ-UHFFFAOYSA-N -1 3 330.367 2.874 20 30 EFEDHM C=C1CCC(CNC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588462039 1092946296 /nfs/dbraw/zinc/94/62/96/1092946296.db2.gz AWAZWVXMVUZCOZ-UHFFFAOYSA-N -1 3 330.367 2.874 20 30 EFEDHM C=C(CC)CNC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588441943 1092947461 /nfs/dbraw/zinc/94/74/61/1092947461.db2.gz KCCARCFTYJVTPH-HNNXBMFYSA-N -1 3 326.404 2.510 20 30 EFEDHM C=C(CC)CNC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588441943 1092947470 /nfs/dbraw/zinc/94/74/70/1092947470.db2.gz KCCARCFTYJVTPH-HNNXBMFYSA-N -1 3 326.404 2.510 20 30 EFEDHM C=C(CNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC001588444114 1092947737 /nfs/dbraw/zinc/94/77/37/1092947737.db2.gz LGGYUYKYPJOQGO-UHFFFAOYSA-N -1 3 345.406 2.728 20 30 EFEDHM C=C(CNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC001588444114 1092947744 /nfs/dbraw/zinc/94/77/44/1092947744.db2.gz LGGYUYKYPJOQGO-UHFFFAOYSA-N -1 3 345.406 2.728 20 30 EFEDHM C=C(C)c1cccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588441802 1092947941 /nfs/dbraw/zinc/94/79/41/1092947941.db2.gz HFSSXZFECQSVBY-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM C=C(C)c1cccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588441802 1092947948 /nfs/dbraw/zinc/94/79/48/1092947948.db2.gz HFSSXZFECQSVBY-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588486965 1092948835 /nfs/dbraw/zinc/94/88/35/1092948835.db2.gz MTSGCESKMBJXGA-UHFFFAOYSA-N -1 3 346.410 2.797 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588486965 1092948839 /nfs/dbraw/zinc/94/88/39/1092948839.db2.gz MTSGCESKMBJXGA-UHFFFAOYSA-N -1 3 346.410 2.797 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588486912 1092950031 /nfs/dbraw/zinc/95/00/31/1092950031.db2.gz MGBLFAQPOPACSC-GFCCVEGCSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588486912 1092950038 /nfs/dbraw/zinc/95/00/38/1092950038.db2.gz MGBLFAQPOPACSC-GFCCVEGCSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588483151 1092950261 /nfs/dbraw/zinc/95/02/61/1092950261.db2.gz AAXWDLOVIRLOFS-LLVKDONJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=CC(C)(C)CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588483151 1092950269 /nfs/dbraw/zinc/95/02/69/1092950269.db2.gz AAXWDLOVIRLOFS-LLVKDONJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588467924 1092950669 /nfs/dbraw/zinc/95/06/69/1092950669.db2.gz NRBHMYRIAUHFJL-KRWDZBQOSA-N -1 3 333.395 2.795 20 30 EFEDHM C=C[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588467924 1092950677 /nfs/dbraw/zinc/95/06/77/1092950677.db2.gz NRBHMYRIAUHFJL-KRWDZBQOSA-N -1 3 333.395 2.795 20 30 EFEDHM C=C1CCC(CNC(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)CC1 ZINC001588462618 1092950898 /nfs/dbraw/zinc/95/08/98/1092950898.db2.gz QIKWYOPMPGZUFH-UHFFFAOYSA-N -1 3 340.431 2.721 20 30 EFEDHM C=C1CCC(CNC(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)CC1 ZINC001588462618 1092950908 /nfs/dbraw/zinc/95/09/08/1092950908.db2.gz QIKWYOPMPGZUFH-UHFFFAOYSA-N -1 3 340.431 2.721 20 30 EFEDHM C=C[C@H](COC)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001588525976 1092951791 /nfs/dbraw/zinc/95/17/91/1092951791.db2.gz ORGCXCQEAWTHPL-GFCCVEGCSA-N -1 3 349.398 2.589 20 30 EFEDHM C=C[C@H](COC)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001588525976 1092951799 /nfs/dbraw/zinc/95/17/99/1092951799.db2.gz ORGCXCQEAWTHPL-GFCCVEGCSA-N -1 3 349.398 2.589 20 30 EFEDHM C=C[C@H](CC)CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001588525580 1092952256 /nfs/dbraw/zinc/95/22/56/1092952256.db2.gz IRDPGXUSAFTZSU-LLVKDONJSA-N -1 3 326.404 2.681 20 30 EFEDHM C=C[C@H](CC)CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001588525580 1092952261 /nfs/dbraw/zinc/95/22/61/1092952261.db2.gz IRDPGXUSAFTZSU-LLVKDONJSA-N -1 3 326.404 2.681 20 30 EFEDHM C=C[C@@H](COC)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001588525977 1092952931 /nfs/dbraw/zinc/95/29/31/1092952931.db2.gz ORGCXCQEAWTHPL-LBPRGKRZSA-N -1 3 349.398 2.589 20 30 EFEDHM C=C[C@@H](COC)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001588525977 1092952940 /nfs/dbraw/zinc/95/29/40/1092952940.db2.gz ORGCXCQEAWTHPL-LBPRGKRZSA-N -1 3 349.398 2.589 20 30 EFEDHM C=C[C@@H](CC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001588519370 1092952966 /nfs/dbraw/zinc/95/29/66/1092952966.db2.gz YKJLQCNQZNWOMK-ZDUSSCGKSA-N -1 3 334.383 2.869 20 30 EFEDHM C=C[C@@H](CC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001588519370 1092952974 /nfs/dbraw/zinc/95/29/74/1092952974.db2.gz YKJLQCNQZNWOMK-ZDUSSCGKSA-N -1 3 334.383 2.869 20 30 EFEDHM C=CC1CCN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588527749 1092954214 /nfs/dbraw/zinc/95/42/14/1092954214.db2.gz VEYYOJTXKSRCNG-UHFFFAOYSA-N -1 3 325.416 2.569 20 30 EFEDHM C=CC1CCN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588527749 1092954221 /nfs/dbraw/zinc/95/42/21/1092954221.db2.gz VEYYOJTXKSRCNG-UHFFFAOYSA-N -1 3 325.416 2.569 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588539368 1092955655 /nfs/dbraw/zinc/95/56/55/1092955655.db2.gz ISCOHYMLIGXSKT-OAHLLOKOSA-N -1 3 340.431 2.756 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588539368 1092955660 /nfs/dbraw/zinc/95/56/60/1092955660.db2.gz ISCOHYMLIGXSKT-OAHLLOKOSA-N -1 3 340.431 2.756 20 30 EFEDHM C=CCC(C)(C)c1nnc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588539189 1092956324 /nfs/dbraw/zinc/95/63/24/1092956324.db2.gz BCSNBELOTXLAEO-UHFFFAOYSA-N -1 3 326.360 2.682 20 30 EFEDHM C=CC[C@@H](CO)CNc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001588545256 1092957353 /nfs/dbraw/zinc/95/73/53/1092957353.db2.gz CIAONPJXIAGQFW-SNVBAGLBSA-N -1 3 344.806 2.665 20 30 EFEDHM C=CC[C@@H](CO)CNc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001588545256 1092957357 /nfs/dbraw/zinc/95/73/57/1092957357.db2.gz CIAONPJXIAGQFW-SNVBAGLBSA-N -1 3 344.806 2.665 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588545905 1092957422 /nfs/dbraw/zinc/95/74/22/1092957422.db2.gz RBHAFZWSHOFPSR-HNNXBMFYSA-N -1 3 349.398 2.571 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588545905 1092957425 /nfs/dbraw/zinc/95/74/25/1092957425.db2.gz RBHAFZWSHOFPSR-HNNXBMFYSA-N -1 3 349.398 2.571 20 30 EFEDHM C=CCC1(NC(=O)c2cc(-c3nnn[n-]3)cc(N(C)C)c2)CCCC1 ZINC001588556693 1092957828 /nfs/dbraw/zinc/95/78/28/1092957828.db2.gz DJQPHDVFAPLNIO-UHFFFAOYSA-N -1 3 340.431 2.551 20 30 EFEDHM C=CCC1(NC(=O)c2cc(-c3nn[n-]n3)cc(N(C)C)c2)CCCC1 ZINC001588556693 1092957837 /nfs/dbraw/zinc/95/78/37/1092957837.db2.gz DJQPHDVFAPLNIO-UHFFFAOYSA-N -1 3 340.431 2.551 20 30 EFEDHM C=CC[C@H](CO)CNc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001588545255 1092958208 /nfs/dbraw/zinc/95/82/08/1092958208.db2.gz CIAONPJXIAGQFW-JTQLQIEISA-N -1 3 344.806 2.665 20 30 EFEDHM C=CC[C@H](CO)CNc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001588545255 1092958215 /nfs/dbraw/zinc/95/82/15/1092958215.db2.gz CIAONPJXIAGQFW-JTQLQIEISA-N -1 3 344.806 2.665 20 30 EFEDHM C=CCC1(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001588556294 1092958790 /nfs/dbraw/zinc/95/87/90/1092958790.db2.gz ILJGBIJVXIYDLU-ZDUSSCGKSA-N -1 3 342.399 2.844 20 30 EFEDHM C=CCC1(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001588556294 1092958800 /nfs/dbraw/zinc/95/88/00/1092958800.db2.gz ILJGBIJVXIYDLU-ZDUSSCGKSA-N -1 3 342.399 2.844 20 30 EFEDHM C=CCC1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)CCCC1 ZINC001588556135 1092959086 /nfs/dbraw/zinc/95/90/86/1092959086.db2.gz FKUVJLPXYVFWRO-UHFFFAOYSA-N -1 3 327.392 2.542 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588559354 1092959819 /nfs/dbraw/zinc/95/98/19/1092959819.db2.gz JQTVSULTASIJKD-GOEBONIOSA-N -1 3 339.443 2.860 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588559354 1092959827 /nfs/dbraw/zinc/95/98/27/1092959827.db2.gz JQTVSULTASIJKD-GOEBONIOSA-N -1 3 339.443 2.860 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588559351 1092959963 /nfs/dbraw/zinc/95/99/63/1092959963.db2.gz JQTVSULTASIJKD-GDBMZVCRSA-N -1 3 339.443 2.860 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588559351 1092959972 /nfs/dbraw/zinc/95/99/72/1092959972.db2.gz JQTVSULTASIJKD-GDBMZVCRSA-N -1 3 339.443 2.860 20 30 EFEDHM C=CCC1(NC(=O)Nc2cc(C)c(-c3nnn[n-]3)cn2)CCCC1 ZINC001588557357 1092960426 /nfs/dbraw/zinc/96/04/26/1092960426.db2.gz MWJAIIIBNHBCLA-UHFFFAOYSA-N -1 3 327.392 2.581 20 30 EFEDHM C=CCC1(NC(=O)Nc2cc(C)c(-c3nn[n-]n3)cn2)CCCC1 ZINC001588557357 1092960434 /nfs/dbraw/zinc/96/04/34/1092960434.db2.gz MWJAIIIBNHBCLA-UHFFFAOYSA-N -1 3 327.392 2.581 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588561272 1092961233 /nfs/dbraw/zinc/96/12/33/1092961233.db2.gz YTOFBHPWTXJKRD-GDBMZVCRSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588561272 1092961241 /nfs/dbraw/zinc/96/12/41/1092961241.db2.gz YTOFBHPWTXJKRD-GDBMZVCRSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)CCCC1 ZINC001588557794 1092961548 /nfs/dbraw/zinc/96/15/48/1092961548.db2.gz UYMATGDQFGJTAI-UHFFFAOYSA-N -1 3 346.822 2.781 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588559712 1092962312 /nfs/dbraw/zinc/96/23/12/1092962312.db2.gz LCJWBTIPGJUIAW-OCCSQVGLSA-N -1 3 327.388 2.862 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588559712 1092962320 /nfs/dbraw/zinc/96/23/20/1092962320.db2.gz LCJWBTIPGJUIAW-OCCSQVGLSA-N -1 3 327.388 2.862 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588579912 1092963700 /nfs/dbraw/zinc/96/37/00/1092963700.db2.gz VJLHZWCDRYCFQV-CQSZACIVSA-N -1 3 344.394 2.646 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588579912 1092963706 /nfs/dbraw/zinc/96/37/06/1092963706.db2.gz VJLHZWCDRYCFQV-CQSZACIVSA-N -1 3 344.394 2.646 20 30 EFEDHM C=CCCC1(CNC(=O)c2cnccc2-c2nnn[n-]2)CCCC1 ZINC001588579744 1092964328 /nfs/dbraw/zinc/96/43/28/1092964328.db2.gz RZLYPYMJUQOWNM-UHFFFAOYSA-N -1 3 326.404 2.518 20 30 EFEDHM C=CCCC1(CNC(=O)c2cnccc2-c2nn[n-]n2)CCCC1 ZINC001588579744 1092964337 /nfs/dbraw/zinc/96/43/37/1092964337.db2.gz RZLYPYMJUQOWNM-UHFFFAOYSA-N -1 3 326.404 2.518 20 30 EFEDHM C=CCCCC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588586066 1092964858 /nfs/dbraw/zinc/96/48/58/1092964858.db2.gz CWFMYCTUUQHNKM-ZDUSSCGKSA-N -1 3 339.321 2.943 20 30 EFEDHM C=CCCCC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588586066 1092964867 /nfs/dbraw/zinc/96/48/67/1092964867.db2.gz CWFMYCTUUQHNKM-ZDUSSCGKSA-N -1 3 339.321 2.943 20 30 EFEDHM C=CCCCCNC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588596349 1092966500 /nfs/dbraw/zinc/96/65/00/1092966500.db2.gz OCCBFIDGESYATK-ZDUSSCGKSA-N -1 3 328.420 2.925 20 30 EFEDHM C=CCCCCNC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588596349 1092966516 /nfs/dbraw/zinc/96/65/16/1092966516.db2.gz OCCBFIDGESYATK-ZDUSSCGKSA-N -1 3 328.420 2.925 20 30 EFEDHM C=CCCCS(=O)(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588600912 1092967039 /nfs/dbraw/zinc/96/70/39/1092967039.db2.gz UIDCMCHSSBLUGR-ZDUSSCGKSA-N -1 3 349.460 2.546 20 30 EFEDHM C=CCCCS(=O)(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588600912 1092967050 /nfs/dbraw/zinc/96/70/50/1092967050.db2.gz UIDCMCHSSBLUGR-ZDUSSCGKSA-N -1 3 349.460 2.546 20 30 EFEDHM C=CCCCCSCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588601442 1092967221 /nfs/dbraw/zinc/96/72/21/1092967221.db2.gz LTIOZHGDFWQXAT-UHFFFAOYSA-N -1 3 331.445 2.572 20 30 EFEDHM C=CCCCCSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588601442 1092967231 /nfs/dbraw/zinc/96/72/31/1092967231.db2.gz LTIOZHGDFWQXAT-UHFFFAOYSA-N -1 3 331.445 2.572 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001588640467 1092970998 /nfs/dbraw/zinc/97/09/98/1092970998.db2.gz SSGAZYBMOANPNR-IRXDYDNUSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001588640467 1092971006 /nfs/dbraw/zinc/97/10/06/1092971006.db2.gz SSGAZYBMOANPNR-IRXDYDNUSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001588638425 1092971222 /nfs/dbraw/zinc/97/12/22/1092971222.db2.gz CCTDMVAYMSQWCR-VJUNAUMWSA-N -1 3 337.427 2.673 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC001588638425 1092971233 /nfs/dbraw/zinc/97/12/33/1092971233.db2.gz CCTDMVAYMSQWCR-VJUNAUMWSA-N -1 3 337.427 2.673 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588635301 1092971339 /nfs/dbraw/zinc/97/13/39/1092971339.db2.gz HHVYBBTUPKHNHB-UHFFFAOYSA-N -1 3 339.424 2.799 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC(C)(C)F ZINC001588641686 1092971775 /nfs/dbraw/zinc/97/17/75/1092971775.db2.gz JRRONQTVSBXZEW-UHFFFAOYSA-N -1 3 346.410 2.703 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC(C)(C)F ZINC001588641686 1092971781 /nfs/dbraw/zinc/97/17/81/1092971781.db2.gz JRRONQTVSBXZEW-UHFFFAOYSA-N -1 3 346.410 2.703 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(=C)CC ZINC001588641755 1092972065 /nfs/dbraw/zinc/97/20/65/1092972065.db2.gz MLTWRADETSXMFI-UHFFFAOYSA-N -1 3 326.404 2.531 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(=C)CC ZINC001588641755 1092972073 /nfs/dbraw/zinc/97/20/73/1092972073.db2.gz MLTWRADETSXMFI-UHFFFAOYSA-N -1 3 326.404 2.531 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC001588631379 1092972809 /nfs/dbraw/zinc/97/28/09/1092972809.db2.gz BYEKOZVUXPQICM-NSHDSACASA-N -1 3 347.419 2.687 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCCC1 ZINC001588641707 1092972980 /nfs/dbraw/zinc/97/29/80/1092972980.db2.gz KNVPHNQQECUIMB-UHFFFAOYSA-N -1 3 326.404 2.507 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCCC1 ZINC001588641707 1092972988 /nfs/dbraw/zinc/97/29/88/1092972988.db2.gz KNVPHNQQECUIMB-UHFFFAOYSA-N -1 3 326.404 2.507 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)SC ZINC001588639955 1092973154 /nfs/dbraw/zinc/97/31/54/1092973154.db2.gz YDSBVZUKNJHZLD-UHFFFAOYSA-N -1 3 331.445 2.523 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)SC ZINC001588639955 1092973159 /nfs/dbraw/zinc/97/31/59/1092973159.db2.gz YDSBVZUKNJHZLD-UHFFFAOYSA-N -1 3 331.445 2.523 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NCCCC ZINC001588649020 1092974222 /nfs/dbraw/zinc/97/42/22/1092974222.db2.gz UCMZCNDNXXVTLZ-UHFFFAOYSA-N -1 3 330.461 2.529 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NCCCC ZINC001588649020 1092974232 /nfs/dbraw/zinc/97/42/32/1092974232.db2.gz UCMZCNDNXXVTLZ-UHFFFAOYSA-N -1 3 330.461 2.529 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccns1 ZINC001588648890 1092974343 /nfs/dbraw/zinc/97/43/43/1092974343.db2.gz CTCITUCNJUHVRX-UHFFFAOYSA-N -1 3 341.400 2.543 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccns1 ZINC001588648890 1092974352 /nfs/dbraw/zinc/97/43/52/1092974352.db2.gz CTCITUCNJUHVRX-UHFFFAOYSA-N -1 3 341.400 2.543 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588653635 1092975750 /nfs/dbraw/zinc/97/57/50/1092975750.db2.gz RBIKLVFKBUITKG-UHFFFAOYSA-N -1 3 331.426 2.818 20 30 EFEDHM C=CCN(Cc1cn2ccccc2n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588648401 1092975803 /nfs/dbraw/zinc/97/58/03/1092975803.db2.gz KKMVZYIZKGETSF-UHFFFAOYSA-N -1 3 345.410 2.703 20 30 EFEDHM C=CCOCCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC001588682878 1092977477 /nfs/dbraw/zinc/97/74/77/1092977477.db2.gz TVLHLSXALHVKEP-UHFFFAOYSA-N -1 3 346.341 2.698 20 30 EFEDHM C=CCOCCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC001588682878 1092977492 /nfs/dbraw/zinc/97/74/92/1092977492.db2.gz TVLHLSXALHVKEP-UHFFFAOYSA-N -1 3 346.341 2.698 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@@H](C)C[C@@H]2C ZINC001588680750 1092978560 /nfs/dbraw/zinc/97/85/60/1092978560.db2.gz BLCIWAZOIFPWER-UWVGGRQHSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@@H](C)C[C@@H]2C ZINC001588680750 1092978565 /nfs/dbraw/zinc/97/85/65/1092978565.db2.gz BLCIWAZOIFPWER-UWVGGRQHSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCCCNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588682720 1092978622 /nfs/dbraw/zinc/97/86/22/1092978622.db2.gz QRLUVNWAARDXKK-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=CCOCCCNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588682720 1092978630 /nfs/dbraw/zinc/97/86/30/1092978630.db2.gz QRLUVNWAARDXKK-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=CCOCCCCOC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588681919 1092978722 /nfs/dbraw/zinc/97/87/22/1092978722.db2.gz IGHRTROEMWAVIU-UHFFFAOYSA-N -1 3 344.415 2.670 20 30 EFEDHM C=CCOCCCCOC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588681919 1092978730 /nfs/dbraw/zinc/97/87/30/1092978730.db2.gz IGHRTROEMWAVIU-UHFFFAOYSA-N -1 3 344.415 2.670 20 30 EFEDHM C=CCOCCSCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001588689540 1092979299 /nfs/dbraw/zinc/97/92/99/1092979299.db2.gz MRYKEFONMPURHS-UHFFFAOYSA-N -1 3 342.371 2.904 20 30 EFEDHM C=CCOCCSCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001588689540 1092979311 /nfs/dbraw/zinc/97/93/11/1092979311.db2.gz MRYKEFONMPURHS-UHFFFAOYSA-N -1 3 342.371 2.904 20 30 EFEDHM C=CCn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(CC)C(C)C ZINC001588698734 1092980009 /nfs/dbraw/zinc/98/00/09/1092980009.db2.gz ADFILOJCOXMJFL-UHFFFAOYSA-N -1 3 338.419 2.546 20 30 EFEDHM C=CCn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(CC)C(C)C ZINC001588698734 1092980020 /nfs/dbraw/zinc/98/00/20/1092980020.db2.gz ADFILOJCOXMJFL-UHFFFAOYSA-N -1 3 338.419 2.546 20 30 EFEDHM C=CCOc1ccc(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588689349 1092981337 /nfs/dbraw/zinc/98/13/37/1092981337.db2.gz FPQPRRVZXDBHBW-UHFFFAOYSA-N -1 3 336.351 2.580 20 30 EFEDHM C=CCOc1ccc(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588689349 1092981342 /nfs/dbraw/zinc/98/13/42/1092981342.db2.gz FPQPRRVZXDBHBW-UHFFFAOYSA-N -1 3 336.351 2.580 20 30 EFEDHM C=CCOc1ccc(COC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC001588690341 1092981364 /nfs/dbraw/zinc/98/13/64/1092981364.db2.gz ZFGUMPNCUIRXOH-UHFFFAOYSA-N -1 3 342.380 2.850 20 30 EFEDHM C=CCOc1ccc(COC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC001588690341 1092981376 /nfs/dbraw/zinc/98/13/76/1092981376.db2.gz ZFGUMPNCUIRXOH-UHFFFAOYSA-N -1 3 342.380 2.850 20 30 EFEDHM CC#CCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001588746880 1092983941 /nfs/dbraw/zinc/98/39/41/1092983941.db2.gz ZOGPIHUTHGBLSX-UHFFFAOYSA-N -1 3 335.314 2.600 20 30 EFEDHM CC#CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001588746880 1092983949 /nfs/dbraw/zinc/98/39/49/1092983949.db2.gz ZOGPIHUTHGBLSX-UHFFFAOYSA-N -1 3 335.314 2.600 20 30 EFEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)[C@H]1CCOC1 ZINC001588780697 1092991321 /nfs/dbraw/zinc/99/13/21/1092991321.db2.gz KAQMWDWKEWFVQT-JTQLQIEISA-N -1 3 340.309 2.710 20 30 EFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)[C@H]1CCOC1 ZINC001588780697 1092991329 /nfs/dbraw/zinc/99/13/29/1092991329.db2.gz KAQMWDWKEWFVQT-JTQLQIEISA-N -1 3 340.309 2.710 20 30 EFEDHM CC(N=Nc1cncc(Cl)n1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588781180 1092992538 /nfs/dbraw/zinc/99/25/38/1092992538.db2.gz KEBKXJLDNIODMT-UHFFFAOYSA-N -1 3 349.185 2.800 20 30 EFEDHM CC(N=Nc1cncc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588781180 1092992545 /nfs/dbraw/zinc/99/25/45/1092992545.db2.gz KEBKXJLDNIODMT-UHFFFAOYSA-N -1 3 349.185 2.800 20 30 EFEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(OCC#N)cc1 ZINC001588918518 1093011335 /nfs/dbraw/zinc/01/13/35/1093011335.db2.gz HCAOKDWJMWOBDK-UHFFFAOYSA-N -1 3 349.350 2.551 20 30 EFEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(OCC#N)cc1 ZINC001588918518 1093011344 /nfs/dbraw/zinc/01/13/44/1093011344.db2.gz HCAOKDWJMWOBDK-UHFFFAOYSA-N -1 3 349.350 2.551 20 30 EFEDHM CC(C)(C#N)CCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC001589034163 1093019297 /nfs/dbraw/zinc/01/92/97/1093019297.db2.gz SPDJEBURZJMBAY-UHFFFAOYSA-N -1 3 336.193 2.948 20 30 EFEDHM CC(C)(C#N)CCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC001589034163 1093019306 /nfs/dbraw/zinc/01/93/06/1093019306.db2.gz SPDJEBURZJMBAY-UHFFFAOYSA-N -1 3 336.193 2.948 20 30 EFEDHM CC(C)(C)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589129427 1093036381 /nfs/dbraw/zinc/03/63/81/1093036381.db2.gz UPDPRPBTEAGTHA-UHFFFAOYSA-N -1 3 343.391 2.537 20 30 EFEDHM CC(C)(C)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589129427 1093036385 /nfs/dbraw/zinc/03/63/85/1093036385.db2.gz UPDPRPBTEAGTHA-UHFFFAOYSA-N -1 3 343.391 2.537 20 30 EFEDHM CC(C)(C)c1ccc(N=NCc2ccc(-c3nnn[n-]3)c(F)c2)nn1 ZINC001589227123 1093054234 /nfs/dbraw/zinc/05/42/34/1093054234.db2.gz LJNHRXLVSUPANB-UHFFFAOYSA-N -1 3 340.366 2.539 20 30 EFEDHM CC(C)(C)c1ccc(N=NCc2ccc(-c3nn[n-]n3)c(F)c2)nn1 ZINC001589227123 1093054241 /nfs/dbraw/zinc/05/42/41/1093054241.db2.gz LJNHRXLVSUPANB-UHFFFAOYSA-N -1 3 340.366 2.539 20 30 EFEDHM CC(C)(CC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001589269841 1093059277 /nfs/dbraw/zinc/05/92/77/1093059277.db2.gz IKMWDRBXPAYKBH-UHFFFAOYSA-N -1 3 338.293 2.655 20 30 EFEDHM CC(C)(CC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001589269841 1093059286 /nfs/dbraw/zinc/05/92/86/1093059286.db2.gz IKMWDRBXPAYKBH-UHFFFAOYSA-N -1 3 338.293 2.655 20 30 EFEDHM CC(C)C#CC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001589394163 1093079531 /nfs/dbraw/zinc/07/95/31/1093079531.db2.gz SRFITCVWUFRUFK-UHFFFAOYSA-N -1 3 348.366 2.652 20 30 EFEDHM CC(C)C#CC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001589394163 1093079540 /nfs/dbraw/zinc/07/95/40/1093079540.db2.gz SRFITCVWUFRUFK-UHFFFAOYSA-N -1 3 348.366 2.652 20 30 EFEDHM CC(C)[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CS1 ZINC001589499866 1093094888 /nfs/dbraw/zinc/09/48/88/1093094888.db2.gz UWXZUZUKLYTLLT-JTQLQIEISA-N -1 3 337.840 2.845 20 30 EFEDHM CC(C)[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CS1 ZINC001589499866 1093094895 /nfs/dbraw/zinc/09/48/95/1093094895.db2.gz UWXZUZUKLYTLLT-JTQLQIEISA-N -1 3 337.840 2.845 20 30 EFEDHM CC(C)C[C@H]1C[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589572195 1093108929 /nfs/dbraw/zinc/10/89/29/1093108929.db2.gz PCQJRFBXBJKPQH-KBPBESRZSA-N -1 3 326.404 2.744 20 30 EFEDHM CC(C)C[C@H]1C[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589572195 1093108933 /nfs/dbraw/zinc/10/89/33/1093108933.db2.gz PCQJRFBXBJKPQH-KBPBESRZSA-N -1 3 326.404 2.744 20 30 EFEDHM CC(C)OCCON=Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001589748945 1093131157 /nfs/dbraw/zinc/13/11/57/1093131157.db2.gz MWXIPQWWUHIYPR-UHFFFAOYSA-N -1 3 343.309 2.661 20 30 EFEDHM CC(C)OCCON=Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001589748945 1093131163 /nfs/dbraw/zinc/13/11/63/1093131163.db2.gz MWXIPQWWUHIYPR-UHFFFAOYSA-N -1 3 343.309 2.661 20 30 EFEDHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nc1 ZINC001589767973 1093139592 /nfs/dbraw/zinc/13/95/92/1093139592.db2.gz BFMVHUHSPOLQAP-UHFFFAOYSA-N -1 3 333.355 2.509 20 30 EFEDHM CC(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nc1 ZINC001589767973 1093139593 /nfs/dbraw/zinc/13/95/93/1093139593.db2.gz BFMVHUHSPOLQAP-UHFFFAOYSA-N -1 3 333.355 2.509 20 30 EFEDHM CC(C)c1nccnc1NN=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001589776643 1093142463 /nfs/dbraw/zinc/14/24/63/1093142463.db2.gz YDYITULDPYHLMM-UHFFFAOYSA-N -1 3 344.329 2.504 20 30 EFEDHM CC(C)c1nccnc1NN=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001589776643 1093142467 /nfs/dbraw/zinc/14/24/67/1093142467.db2.gz YDYITULDPYHLMM-UHFFFAOYSA-N -1 3 344.329 2.504 20 30 EFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001589786799 1093146265 /nfs/dbraw/zinc/14/62/65/1093146265.db2.gz DOITZPZUWUJEGC-VIFPVBQESA-N -1 3 347.448 2.992 20 30 EFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001589786799 1093146267 /nfs/dbraw/zinc/14/62/67/1093146267.db2.gz DOITZPZUWUJEGC-VIFPVBQESA-N -1 3 347.448 2.992 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(C)(C)CCC#N ZINC001589894012 1093168703 /nfs/dbraw/zinc/16/87/03/1093168703.db2.gz JCCPQTSGFPFNPV-ZDUSSCGKSA-N -1 3 341.415 2.918 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(C)(C)CCC#N ZINC001589894012 1093168709 /nfs/dbraw/zinc/16/87/09/1093168709.db2.gz JCCPQTSGFPFNPV-ZDUSSCGKSA-N -1 3 341.415 2.918 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001589904186 1093176220 /nfs/dbraw/zinc/17/62/20/1093176220.db2.gz ORINLMDGRDIYOD-UHFFFAOYSA-N -1 3 339.403 2.581 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001589904186 1093176224 /nfs/dbraw/zinc/17/62/24/1093176224.db2.gz ORINLMDGRDIYOD-UHFFFAOYSA-N -1 3 339.403 2.581 20 30 EFEDHM C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589920157 1093177906 /nfs/dbraw/zinc/17/79/06/1093177906.db2.gz UUBSAMKXIAOTRV-GUYCJALGSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589920157 1093177913 /nfs/dbraw/zinc/17/79/13/1093177913.db2.gz UUBSAMKXIAOTRV-GUYCJALGSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@@H](F)CCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001589912766 1093178589 /nfs/dbraw/zinc/17/85/89/1093178589.db2.gz ZJBFVRGADSQNFC-LLVKDONJSA-N -1 3 343.410 2.952 20 30 EFEDHM C[C@@H](F)CCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589912766 1093178594 /nfs/dbraw/zinc/17/85/94/1093178594.db2.gz ZJBFVRGADSQNFC-LLVKDONJSA-N -1 3 343.410 2.952 20 30 EFEDHM C[C@@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001589921537 1093180641 /nfs/dbraw/zinc/18/06/41/1093180641.db2.gz MAGKXSULDJVBAE-CYBMUJFWSA-N -1 3 346.394 2.548 20 30 EFEDHM C[C@@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001589921537 1093180643 /nfs/dbraw/zinc/18/06/43/1093180643.db2.gz MAGKXSULDJVBAE-CYBMUJFWSA-N -1 3 346.394 2.548 20 30 EFEDHM C[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001589921539 1093180716 /nfs/dbraw/zinc/18/07/16/1093180716.db2.gz MAGKXSULDJVBAE-ZDUSSCGKSA-N -1 3 346.394 2.548 20 30 EFEDHM C[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001589921539 1093180717 /nfs/dbraw/zinc/18/07/17/1093180717.db2.gz MAGKXSULDJVBAE-ZDUSSCGKSA-N -1 3 346.394 2.548 20 30 EFEDHM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001589981068 1093208286 /nfs/dbraw/zinc/20/82/86/1093208286.db2.gz HPGBMNFFUWEKBN-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001589981068 1093208292 /nfs/dbraw/zinc/20/82/92/1093208292.db2.gz HPGBMNFFUWEKBN-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C#N)cs1 ZINC001590042345 1093235247 /nfs/dbraw/zinc/23/52/47/1093235247.db2.gz DBFIXRGSYMUBAJ-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C#N)cs1 ZINC001590042345 1093235252 /nfs/dbraw/zinc/23/52/52/1093235252.db2.gz DBFIXRGSYMUBAJ-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@]1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001590055936 1093246860 /nfs/dbraw/zinc/24/68/60/1093246860.db2.gz YXTVHLJCUCLKAU-QGZVFWFLSA-N -1 3 337.387 2.512 20 30 EFEDHM C[C@]1(C#N)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001590055936 1093246862 /nfs/dbraw/zinc/24/68/62/1093246862.db2.gz YXTVHLJCUCLKAU-QGZVFWFLSA-N -1 3 337.387 2.512 20 30 EFEDHM C[C@@H]1CCN(c2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)C1 ZINC001590277496 1093357559 /nfs/dbraw/zinc/35/75/59/1093357559.db2.gz SCVBOUGCFASIBX-GFCCVEGCSA-N -1 3 337.431 2.639 20 30 EFEDHM C[C@@H]1CCN(c2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)C1 ZINC001590277496 1093357564 /nfs/dbraw/zinc/35/75/64/1093357564.db2.gz SCVBOUGCFASIBX-GFCCVEGCSA-N -1 3 337.431 2.639 20 30 EFEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)cn1 ZINC001590358952 1093389838 /nfs/dbraw/zinc/38/98/38/1093389838.db2.gz MAEADKXKKUITLE-UHFFFAOYSA-N -1 3 346.757 2.675 20 30 EFEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cn1 ZINC001590358952 1093389845 /nfs/dbraw/zinc/38/98/45/1093389845.db2.gz MAEADKXKKUITLE-UHFFFAOYSA-N -1 3 346.757 2.675 20 30 EFEDHM CCC(C#N)(CC)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590367607 1093392394 /nfs/dbraw/zinc/39/23/94/1093392394.db2.gz VFCLJBKIBUFJBC-GFCCVEGCSA-N -1 3 326.404 2.716 20 30 EFEDHM CCC(C#N)(CC)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590367607 1093392400 /nfs/dbraw/zinc/39/24/00/1093392400.db2.gz VFCLJBKIBUFJBC-GFCCVEGCSA-N -1 3 326.404 2.716 20 30 EFEDHM CCC(=O)c1cccc(C#N)c1OCCc1ccc(-c2nnn[n-]2)cc1 ZINC001590367593 1093392692 /nfs/dbraw/zinc/39/26/92/1093392692.db2.gz UZVULJXZJPFIBR-UHFFFAOYSA-N -1 3 347.378 2.953 20 30 EFEDHM CCC(=O)c1cccc(C#N)c1OCCc1ccc(-c2nn[n-]n2)cc1 ZINC001590367593 1093392698 /nfs/dbraw/zinc/39/26/98/1093392698.db2.gz UZVULJXZJPFIBR-UHFFFAOYSA-N -1 3 347.378 2.953 20 30 EFEDHM C[C@@H](CNc1ncc(C#N)cc1Cl)N(C)C(=O)c1ccccc1[O-] ZINC001104472446 1093438631 /nfs/dbraw/zinc/43/86/31/1093438631.db2.gz UAPIIJDYCRBJKH-NSHDSACASA-N -1 3 344.802 2.885 20 30 EFEDHM CCC1(CC)CN(c2c(C#N)cccc2-c2nnn[n-]2)CCS1 ZINC001590493473 1093453679 /nfs/dbraw/zinc/45/36/79/1093453679.db2.gz LDZLRGBQFYFRAE-UHFFFAOYSA-N -1 3 328.445 2.850 20 30 EFEDHM CCC1(CC)CN(c2c(C#N)cccc2-c2nn[n-]n2)CCS1 ZINC001590493473 1093453683 /nfs/dbraw/zinc/45/36/83/1093453683.db2.gz LDZLRGBQFYFRAE-UHFFFAOYSA-N -1 3 328.445 2.850 20 30 EFEDHM CCCC[C@@H](Sc1c(C#N)cccc1-c1nnn[n-]1)C(=O)OC ZINC001590582311 1093500878 /nfs/dbraw/zinc/50/08/78/1093500878.db2.gz QJCCXRVELUHGGS-GFCCVEGCSA-N -1 3 331.401 2.562 20 30 EFEDHM CCCC[C@@H](Sc1c(C#N)cccc1-c1nn[n-]n1)C(=O)OC ZINC001590582311 1093500885 /nfs/dbraw/zinc/50/08/85/1093500885.db2.gz QJCCXRVELUHGGS-GFCCVEGCSA-N -1 3 331.401 2.562 20 30 EFEDHM CCN(C(=O)CCCCC#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001590669827 1093539995 /nfs/dbraw/zinc/53/99/95/1093539995.db2.gz XORXKJXKVYZEQA-UHFFFAOYSA-N -1 3 332.795 2.957 20 30 EFEDHM CCN(C(=O)CCCCC#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590669827 1093540000 /nfs/dbraw/zinc/54/00/00/1093540000.db2.gz XORXKJXKVYZEQA-UHFFFAOYSA-N -1 3 332.795 2.957 20 30 EFEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)[nH]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC001590673233 1093541880 /nfs/dbraw/zinc/54/18/80/1093541880.db2.gz ZOERUYBHJAVNNR-GFCCVEGCSA-N -1 3 349.398 2.598 20 30 EFEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)[nH]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC001590673233 1093541892 /nfs/dbraw/zinc/54/18/92/1093541892.db2.gz ZOERUYBHJAVNNR-GFCCVEGCSA-N -1 3 349.398 2.598 20 30 EFEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001590674773 1093543336 /nfs/dbraw/zinc/54/33/36/1093543336.db2.gz XIIIAJNDQDXRKJ-ZDUSSCGKSA-N -1 3 346.394 2.962 20 30 EFEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001590674773 1093543342 /nfs/dbraw/zinc/54/33/42/1093543342.db2.gz XIIIAJNDQDXRKJ-ZDUSSCGKSA-N -1 3 346.394 2.962 20 30 EFEDHM CCN(C(=O)c1ccc(F)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590673267 1093543815 /nfs/dbraw/zinc/54/38/15/1093543815.db2.gz CNUGBSMKINDUSP-UHFFFAOYSA-N -1 3 336.330 2.544 20 30 EFEDHM CCN(C(=O)c1ccc(F)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590673267 1093543825 /nfs/dbraw/zinc/54/38/25/1093543825.db2.gz CNUGBSMKINDUSP-UHFFFAOYSA-N -1 3 336.330 2.544 20 30 EFEDHM CCN(Cc1nc(C#N)cs1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590721526 1093559213 /nfs/dbraw/zinc/55/92/13/1093559213.db2.gz DJESYUYGYFVNAH-NSHDSACASA-N -1 3 339.428 2.778 20 30 EFEDHM CCN(Cc1nc(C#N)cs1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590721526 1093559215 /nfs/dbraw/zinc/55/92/15/1093559215.db2.gz DJESYUYGYFVNAH-NSHDSACASA-N -1 3 339.428 2.778 20 30 EFEDHM CCN1CCc2ccc(Nc3c(C#N)cccc3-c3nnn[n-]3)cc21 ZINC001590737386 1093560658 /nfs/dbraw/zinc/56/06/58/1093560658.db2.gz LWPYDDSTEABVSK-UHFFFAOYSA-N -1 3 331.383 2.864 20 30 EFEDHM CCN1CCc2ccc(Nc3c(C#N)cccc3-c3nn[n-]n3)cc21 ZINC001590737386 1093560664 /nfs/dbraw/zinc/56/06/64/1093560664.db2.gz LWPYDDSTEABVSK-UHFFFAOYSA-N -1 3 331.383 2.864 20 30 EFEDHM CCO[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001590784961 1093568615 /nfs/dbraw/zinc/56/86/15/1093568615.db2.gz BHYZNLWSMYQCSN-INIZCTEOSA-N -1 3 334.383 2.928 20 30 EFEDHM CCO[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001590784961 1093568618 /nfs/dbraw/zinc/56/86/18/1093568618.db2.gz BHYZNLWSMYQCSN-INIZCTEOSA-N -1 3 334.383 2.928 20 30 EFEDHM CCOc1cc(C#N)ccc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC001590825821 1093584312 /nfs/dbraw/zinc/58/43/12/1093584312.db2.gz SKEADGUPIFUBNK-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cc(C#N)ccc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC001590825821 1093584321 /nfs/dbraw/zinc/58/43/21/1093584321.db2.gz SKEADGUPIFUBNK-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C#N)Cc1ccccc1 ZINC001590834128 1093587057 /nfs/dbraw/zinc/58/70/57/1093587057.db2.gz XMGDXSWMFQXMGR-HNNXBMFYSA-N -1 3 334.383 2.812 20 30 EFEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C#N)Cc1ccccc1 ZINC001590834128 1093587061 /nfs/dbraw/zinc/58/70/61/1093587061.db2.gz XMGDXSWMFQXMGR-HNNXBMFYSA-N -1 3 334.383 2.812 20 30 EFEDHM CCOc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC001590836668 1093589287 /nfs/dbraw/zinc/58/92/87/1093589287.db2.gz DEGLUHROJVCZSJ-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM CCOc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC001590836668 1093589293 /nfs/dbraw/zinc/58/92/93/1093589293.db2.gz DEGLUHROJVCZSJ-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM CCOc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC001590836618 1093590603 /nfs/dbraw/zinc/59/06/03/1093590603.db2.gz APDMYKSMWCPJDS-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM CCOc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC001590836618 1093590610 /nfs/dbraw/zinc/59/06/10/1093590610.db2.gz APDMYKSMWCPJDS-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM CCOc1ccc2c(c1)CN(c1c(C#N)cccc1-c1nnn[n-]1)CC2 ZINC001590840650 1093591274 /nfs/dbraw/zinc/59/12/74/1093591274.db2.gz ULCMKJNUXVYBQU-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM CCOc1ccc2c(c1)CN(c1c(C#N)cccc1-c1nn[n-]n1)CC2 ZINC001590840650 1093591284 /nfs/dbraw/zinc/59/12/84/1093591284.db2.gz ULCMKJNUXVYBQU-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM CCOc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001590838856 1093591404 /nfs/dbraw/zinc/59/14/04/1093591404.db2.gz IGQUNURCLDXROT-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM CCOc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001590838856 1093591413 /nfs/dbraw/zinc/59/14/13/1093591413.db2.gz IGQUNURCLDXROT-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)cc1OC ZINC001590877419 1093611342 /nfs/dbraw/zinc/61/13/42/1093611342.db2.gz UTOOIUMSAXXEMU-UHFFFAOYSA-N -1 3 335.367 2.888 20 30 EFEDHM CCc1nn(C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001590929249 1093635703 /nfs/dbraw/zinc/63/57/03/1093635703.db2.gz CMDFRKJNMNWHDV-ALCCZGGFSA-N -1 3 342.790 2.712 20 30 EFEDHM CCc1nn(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001590929249 1093635707 /nfs/dbraw/zinc/63/57/07/1093635707.db2.gz CMDFRKJNMNWHDV-ALCCZGGFSA-N -1 3 342.790 2.712 20 30 EFEDHM CCn1nc(C)c(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1C ZINC001590964497 1093640352 /nfs/dbraw/zinc/64/03/52/1093640352.db2.gz CRSFSMKBVUXARY-NTEUORMPSA-N -1 3 334.383 2.522 20 30 EFEDHM CCn1nc(C)c(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1C ZINC001590964497 1093640356 /nfs/dbraw/zinc/64/03/56/1093640356.db2.gz CRSFSMKBVUXARY-NTEUORMPSA-N -1 3 334.383 2.522 20 30 EFEDHM CCn1nc(C)c(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1C ZINC001590964498 1093640569 /nfs/dbraw/zinc/64/05/69/1093640569.db2.gz CRSFSMKBVUXARY-ZROIWOOFSA-N -1 3 334.383 2.522 20 30 EFEDHM CCn1nc(C)c(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1C ZINC001590964498 1093640574 /nfs/dbraw/zinc/64/05/74/1093640574.db2.gz CRSFSMKBVUXARY-ZROIWOOFSA-N -1 3 334.383 2.522 20 30 EFEDHM CN(CCCNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001591082830 1093661293 /nfs/dbraw/zinc/66/12/93/1093661293.db2.gz ZXYJUBAQFJLWNS-UHFFFAOYSA-N -1 3 333.399 2.677 20 30 EFEDHM CN(CCCNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001591082830 1093661297 /nfs/dbraw/zinc/66/12/97/1093661297.db2.gz ZXYJUBAQFJLWNS-UHFFFAOYSA-N -1 3 333.399 2.677 20 30 EFEDHM CN(Cc1cc(C#N)cs1)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591132469 1093668330 /nfs/dbraw/zinc/66/83/30/1093668330.db2.gz OTZNMQWOERNACI-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CN(Cc1cc(C#N)cs1)Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591132469 1093668332 /nfs/dbraw/zinc/66/83/32/1093668332.db2.gz OTZNMQWOERNACI-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)[C@@H]1CCC[C@H]1C#N ZINC001591136701 1093670897 /nfs/dbraw/zinc/67/08/97/1093670897.db2.gz JEBXLQLFTOFKEJ-WCQYABFASA-N -1 3 348.357 2.592 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)[C@@H]1CCC[C@H]1C#N ZINC001591136701 1093670901 /nfs/dbraw/zinc/67/09/01/1093670901.db2.gz JEBXLQLFTOFKEJ-WCQYABFASA-N -1 3 348.357 2.592 20 30 EFEDHM COC(=O)c1csc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001591308029 1093688461 /nfs/dbraw/zinc/68/84/61/1093688461.db2.gz VHOHAUPNSAMPQT-RQOWECAXSA-N -1 3 346.393 2.672 20 30 EFEDHM COC[C@H](C)CN=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001591372947 1093708172 /nfs/dbraw/zinc/70/81/72/1093708172.db2.gz RJPHYTHAKQNKGW-MRVPVSSYSA-N -1 3 328.298 2.566 20 30 EFEDHM COC[C@H](C)CN=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001591372947 1093708177 /nfs/dbraw/zinc/70/81/77/1093708177.db2.gz RJPHYTHAKQNKGW-MRVPVSSYSA-N -1 3 328.298 2.566 20 30 EFEDHM COC[C@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001591371932 1093708537 /nfs/dbraw/zinc/70/85/37/1093708537.db2.gz NXWPJUOXWRFMGX-QMMMGPOBSA-N -1 3 342.325 2.956 20 30 EFEDHM COC[C@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001591371932 1093708545 /nfs/dbraw/zinc/70/85/45/1093708545.db2.gz NXWPJUOXWRFMGX-QMMMGPOBSA-N -1 3 342.325 2.956 20 30 EFEDHM COCCCCN=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001591407693 1093718100 /nfs/dbraw/zinc/71/81/00/1093718100.db2.gz NAJHBIWGTFEVAE-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM COCCCCN=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001591407693 1093718104 /nfs/dbraw/zinc/71/81/04/1093718104.db2.gz NAJHBIWGTFEVAE-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)CC(C)(C)C#N ZINC001591444095 1093723986 /nfs/dbraw/zinc/72/39/86/1093723986.db2.gz ROMGANDKSIOOSF-GFCCVEGCSA-N -1 3 344.419 2.632 20 30 EFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)CC(C)(C)C#N ZINC001591444095 1093723987 /nfs/dbraw/zinc/72/39/87/1093723987.db2.gz ROMGANDKSIOOSF-GFCCVEGCSA-N -1 3 344.419 2.632 20 30 EFEDHM COCc1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCc2cc(C#N)ccc21 ZINC001591454247 1093725986 /nfs/dbraw/zinc/72/59/86/1093725986.db2.gz MBHWWMQUGUMWQY-GOSISDBHSA-N -1 3 346.394 2.984 20 30 EFEDHM COCc1cc(-c2nn[n-]n2)ccc1NCC1CCC(C#N)CC1 ZINC001591454386 1093726074 /nfs/dbraw/zinc/72/60/74/1093726074.db2.gz QQXSSIQFEYCWPF-UHFFFAOYSA-N -1 3 326.404 2.755 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC001591484756 1093738110 /nfs/dbraw/zinc/73/81/10/1093738110.db2.gz OBWRCVRYJVJCTD-HNNXBMFYSA-N -1 3 341.371 2.505 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC001591484756 1093738115 /nfs/dbraw/zinc/73/81/15/1093738115.db2.gz OBWRCVRYJVJCTD-HNNXBMFYSA-N -1 3 341.371 2.505 20 30 EFEDHM COc1cc(C#N)ccc1OC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001591508855 1093746127 /nfs/dbraw/zinc/74/61/27/1093746127.db2.gz HWRCAMFPXBWJGH-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1cc(C#N)ccc1OC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001591508855 1093746131 /nfs/dbraw/zinc/74/61/31/1093746131.db2.gz HWRCAMFPXBWJGH-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001591518109 1093747528 /nfs/dbraw/zinc/74/75/28/1093747528.db2.gz NRKLJXXNSXBNGT-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001591518109 1093747532 /nfs/dbraw/zinc/74/75/32/1093747532.db2.gz NRKLJXXNSXBNGT-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C=C2Cc3c(cccc3F)C2=O)ccc1-c1nnn[n-]1 ZINC001591522797 1093748817 /nfs/dbraw/zinc/74/88/17/1093748817.db2.gz NIXLWDHTPCIWKC-XFFZJAGNSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(C=C2Cc3c(cccc3F)C2=O)ccc1-c1nn[n-]n1 ZINC001591522797 1093748822 /nfs/dbraw/zinc/74/88/22/1093748822.db2.gz NIXLWDHTPCIWKC-XFFZJAGNSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(C)c(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1OC ZINC001591520852 1093750192 /nfs/dbraw/zinc/75/01/92/1093750192.db2.gz QEMSAYRSGYNJBQ-UHFFFAOYSA-N -1 3 336.355 2.808 20 30 EFEDHM COc1cc(C)c(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1OC ZINC001591520852 1093750195 /nfs/dbraw/zinc/75/01/95/1093750195.db2.gz QEMSAYRSGYNJBQ-UHFFFAOYSA-N -1 3 336.355 2.808 20 30 EFEDHM COc1cc(Oc2cc(C)cc(F)c2C#N)ccc1-c1nnn[n-]1 ZINC001591553812 1093766388 /nfs/dbraw/zinc/76/63/88/1093766388.db2.gz OJPKVSOBJNRRTR-UHFFFAOYSA-N -1 3 325.303 2.987 20 30 EFEDHM COc1cc(Oc2cc(C)cc(F)c2C#N)ccc1-c1nn[n-]n1 ZINC001591553812 1093766390 /nfs/dbraw/zinc/76/63/90/1093766390.db2.gz OJPKVSOBJNRRTR-UHFFFAOYSA-N -1 3 325.303 2.987 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1CN1CCCc2c(C#N)cccc21 ZINC001591558996 1093769629 /nfs/dbraw/zinc/76/96/29/1093769629.db2.gz AEDNDXMFQQPESD-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCCc2c(C#N)cccc21 ZINC001591558996 1093769634 /nfs/dbraw/zinc/76/96/34/1093769634.db2.gz AEDNDXMFQQPESD-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1ccc(C#N)cc1CN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001591570358 1093773642 /nfs/dbraw/zinc/77/36/42/1093773642.db2.gz KHVGPSFWMCIBCA-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1ccc(C#N)cc1CN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001591570358 1093773646 /nfs/dbraw/zinc/77/36/46/1093773646.db2.gz KHVGPSFWMCIBCA-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1C#N ZINC001591582708 1093781178 /nfs/dbraw/zinc/78/11/78/1093781178.db2.gz KPBQQGDZWDELEJ-VURMDHGXSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1C#N ZINC001591582708 1093781184 /nfs/dbraw/zinc/78/11/84/1093781184.db2.gz KPBQQGDZWDELEJ-VURMDHGXSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(CCNc2c(C#N)cccc2-c2nnn[n-]2)cc1F ZINC001591586818 1093782939 /nfs/dbraw/zinc/78/29/39/1093782939.db2.gz XWQSLHZHBGNVJD-UHFFFAOYSA-N -1 3 338.346 2.541 20 30 EFEDHM COc1ccc(CCNc2c(C#N)cccc2-c2nn[n-]n2)cc1F ZINC001591586818 1093782949 /nfs/dbraw/zinc/78/29/49/1093782949.db2.gz XWQSLHZHBGNVJD-UHFFFAOYSA-N -1 3 338.346 2.541 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591619820 1093800489 /nfs/dbraw/zinc/80/04/89/1093800489.db2.gz XNUKWUJWIZHBQS-WEVVVXLNSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591619820 1093800494 /nfs/dbraw/zinc/80/04/94/1093800494.db2.gz XNUKWUJWIZHBQS-WEVVVXLNSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001591619692 1093801475 /nfs/dbraw/zinc/80/14/75/1093801475.db2.gz NEFUJYDWFLSHNX-CLFYSBASSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001591619692 1093801480 /nfs/dbraw/zinc/80/14/80/1093801480.db2.gz NEFUJYDWFLSHNX-CLFYSBASSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cccc(NN=Cc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC001591641805 1093812784 /nfs/dbraw/zinc/81/27/84/1093812784.db2.gz XIVXPXZDCCXQNB-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1cccc(NN=Cc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC001591641805 1093812788 /nfs/dbraw/zinc/81/27/88/1093812788.db2.gz XIVXPXZDCCXQNB-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1ccsc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001591659658 1093823062 /nfs/dbraw/zinc/82/30/62/1093823062.db2.gz PFGUAJNFYGEFIP-JXMROGBWSA-N -1 3 339.380 2.544 20 30 EFEDHM COc1ccsc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001591659658 1093823067 /nfs/dbraw/zinc/82/30/67/1093823067.db2.gz PFGUAJNFYGEFIP-JXMROGBWSA-N -1 3 339.380 2.544 20 30 EFEDHM CSc1ccc(CNc2cc(C)c(C#N)cn2)cc1-c1nnn[n-]1 ZINC001591713896 1093839279 /nfs/dbraw/zinc/83/92/79/1093839279.db2.gz HQEYGRPZCDCXGW-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM CSc1ccc(CNc2cc(C)c(C#N)cn2)cc1-c1nn[n-]n1 ZINC001591713896 1093839286 /nfs/dbraw/zinc/83/92/86/1093839286.db2.gz HQEYGRPZCDCXGW-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM C[C@@H](OC(=O)c1sccc1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001591732125 1093847074 /nfs/dbraw/zinc/84/70/74/1093847074.db2.gz GKIIUHSEKHGDLO-SNVBAGLBSA-N -1 3 339.380 2.912 20 30 EFEDHM C[C@@H](OC(=O)c1sccc1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001591732125 1093847082 /nfs/dbraw/zinc/84/70/82/1093847082.db2.gz GKIIUHSEKHGDLO-SNVBAGLBSA-N -1 3 339.380 2.912 20 30 EFEDHM C[Si](C)(C)C#CCCNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001591780378 1093856329 /nfs/dbraw/zinc/85/63/29/1093856329.db2.gz VOXVWOXQJMGICR-UHFFFAOYSA-N -1 3 347.882 2.521 20 30 EFEDHM C[Si](C)(C)C#CCCNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001591780378 1093856335 /nfs/dbraw/zinc/85/63/35/1093856335.db2.gz VOXVWOXQJMGICR-UHFFFAOYSA-N -1 3 347.882 2.521 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001591799430 1093863700 /nfs/dbraw/zinc/86/37/00/1093863700.db2.gz JNQIZLSFZSWAOG-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001591799430 1093863702 /nfs/dbraw/zinc/86/37/02/1093863702.db2.gz JNQIZLSFZSWAOG-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(C#N)cc2Cl)cccc1-c1nnn[n-]1 ZINC001591813072 1093868685 /nfs/dbraw/zinc/86/86/85/1093868685.db2.gz WVEPANKFGQKAAI-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(C#N)cc2Cl)cccc1-c1nn[n-]n1 ZINC001591813072 1093868690 /nfs/dbraw/zinc/86/86/90/1093868690.db2.gz WVEPANKFGQKAAI-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(Cl)cnc(N(CCC#N)CC(C)(C)C)c1-c1nnn[n-]1 ZINC001591820226 1093870263 /nfs/dbraw/zinc/87/02/63/1093870263.db2.gz HPXKDMXMALJJJI-UHFFFAOYSA-N -1 3 333.827 2.990 20 30 EFEDHM Cc1c(Cl)cnc(N(CCC#N)CC(C)(C)C)c1-c1nn[n-]n1 ZINC001591820226 1093870269 /nfs/dbraw/zinc/87/02/69/1093870269.db2.gz HPXKDMXMALJJJI-UHFFFAOYSA-N -1 3 333.827 2.990 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c1C#N ZINC001591821799 1093873011 /nfs/dbraw/zinc/87/30/11/1093873011.db2.gz RCVAYXJUHZFCAV-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c1C#N ZINC001591821799 1093873016 /nfs/dbraw/zinc/87/30/16/1093873016.db2.gz RCVAYXJUHZFCAV-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1c(NC(=O)N2Cc3cccc(C#N)c3C2)cccc1-c1nnn[n-]1 ZINC001591825923 1093873615 /nfs/dbraw/zinc/87/36/15/1093873615.db2.gz HUTILZDPZCOGDR-UHFFFAOYSA-N -1 3 345.366 2.595 20 30 EFEDHM Cc1c(NC(=O)N2Cc3cccc(C#N)c3C2)cccc1-c1nn[n-]n1 ZINC001591825923 1093873617 /nfs/dbraw/zinc/87/36/17/1093873617.db2.gz HUTILZDPZCOGDR-UHFFFAOYSA-N -1 3 345.366 2.595 20 30 EFEDHM Cc1c2c(nc(S[C@@H]3CC[C@@H](C#N)C3)c1-c1nnn[n-]1)CCC2 ZINC001591830159 1093876179 /nfs/dbraw/zinc/87/61/79/1093876179.db2.gz KPYBMEZRXNUJMQ-GHMZBOCLSA-N -1 3 326.429 2.843 20 30 EFEDHM Cc1c2c(nc(S[C@@H]3CC[C@@H](C#N)C3)c1-c1nn[n-]n1)CCC2 ZINC001591830159 1093876181 /nfs/dbraw/zinc/87/61/81/1093876181.db2.gz KPYBMEZRXNUJMQ-GHMZBOCLSA-N -1 3 326.429 2.843 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)O[C@@H](C)CC(C)(C)C#N ZINC001591838595 1093878294 /nfs/dbraw/zinc/87/82/94/1093878294.db2.gz DYEYYXULAZOXFH-LBPRGKRZSA-N -1 3 327.388 2.969 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)O[C@@H](C)CC(C)(C)C#N ZINC001591838595 1093878296 /nfs/dbraw/zinc/87/82/96/1093878296.db2.gz DYEYYXULAZOXFH-LBPRGKRZSA-N -1 3 327.388 2.969 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(N2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC001591856362 1093892997 /nfs/dbraw/zinc/89/29/97/1093892997.db2.gz LISOKIMKJOBJLL-SJORKVTESA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(N2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC001591856362 1093893003 /nfs/dbraw/zinc/89/30/03/1093893003.db2.gz LISOKIMKJOBJLL-SJORKVTESA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC001591856359 1093893843 /nfs/dbraw/zinc/89/38/43/1093893843.db2.gz LISOKIMKJOBJLL-DLBZAZTESA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC001591856359 1093893847 /nfs/dbraw/zinc/89/38/47/1093893847.db2.gz LISOKIMKJOBJLL-DLBZAZTESA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591906393 1093913300 /nfs/dbraw/zinc/91/33/00/1093913300.db2.gz GMOBUXPGXMUGGM-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591906393 1093913305 /nfs/dbraw/zinc/91/33/05/1093913305.db2.gz GMOBUXPGXMUGGM-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1ccc(C(=O)OCc2ccc(C#N)cc2C)cc1-c1nnn[n-]1 ZINC001591906542 1093914143 /nfs/dbraw/zinc/91/41/43/1093914143.db2.gz OLTUREUNGABZBE-UHFFFAOYSA-N -1 3 333.351 2.712 20 30 EFEDHM Cc1ccc(C(=O)OCc2ccc(C#N)cc2C)cc1-c1nn[n-]n1 ZINC001591906542 1093914149 /nfs/dbraw/zinc/91/41/49/1093914149.db2.gz OLTUREUNGABZBE-UHFFFAOYSA-N -1 3 333.351 2.712 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001591906673 1093914185 /nfs/dbraw/zinc/91/41/85/1093914185.db2.gz VXUQQGKHYWYRRQ-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001591906673 1093914191 /nfs/dbraw/zinc/91/41/91/1093914191.db2.gz VXUQQGKHYWYRRQ-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(C(=O)N2CCc3c2cccc3-c2nnn[n-]2)cc(C)c1C#N ZINC001591916908 1093916147 /nfs/dbraw/zinc/91/61/47/1093916147.db2.gz SRYWTOBGIVMAOO-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(C(=O)N2CCc3c2cccc3-c2nn[n-]n2)cc(C)c1C#N ZINC001591916908 1093916150 /nfs/dbraw/zinc/91/61/50/1093916150.db2.gz SRYWTOBGIVMAOO-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(C(=O)Nc2cc(C#N)ccc2F)cc(C)c1-c1nnn[n-]1 ZINC001591932348 1093920181 /nfs/dbraw/zinc/92/01/81/1093920181.db2.gz KIBHWJFBPLJOBT-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(=O)Nc2cc(C#N)ccc2F)cc(C)c1-c1nn[n-]n1 ZINC001591932348 1093920186 /nfs/dbraw/zinc/92/01/86/1093920186.db2.gz KIBHWJFBPLJOBT-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(S[C@H](C#N)C2CC2)n1 ZINC001591940492 1093925038 /nfs/dbraw/zinc/92/50/38/1093925038.db2.gz RFGVZNFRORWWML-SECBINFHSA-N -1 3 340.334 2.983 20 30 EFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@@H]2CCc3cc(C#N)ccc32)n1 ZINC001591942936 1093926999 /nfs/dbraw/zinc/92/69/99/1093926999.db2.gz ONDHYELRUCWUTM-OAHLLOKOSA-N -1 3 331.383 2.850 20 30 EFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H]2CCc3cc(C#N)ccc32)n1 ZINC001591942936 1093927004 /nfs/dbraw/zinc/92/70/04/1093927004.db2.gz ONDHYELRUCWUTM-OAHLLOKOSA-N -1 3 331.383 2.850 20 30 EFEDHM Cc1cc(C=C2c3ccc(-c4nnn[n-]4)cc3NC2=O)ccc1C#N ZINC001591958658 1093933212 /nfs/dbraw/zinc/93/32/12/1093933212.db2.gz FKEKEZJGFWMOCA-VIZOYTHASA-N -1 3 328.335 2.540 20 30 EFEDHM Cc1cc(C=C2c3ccc(-c4nn[n-]n4)cc3NC2=O)ccc1C#N ZINC001591958658 1093933218 /nfs/dbraw/zinc/93/32/18/1093933218.db2.gz FKEKEZJGFWMOCA-VIZOYTHASA-N -1 3 328.335 2.540 20 30 EFEDHM Cc1cc(C=CC(=O)c2cnn(C3CCC3)c2)ccc1-c1nnn[n-]1 ZINC001591959625 1093933363 /nfs/dbraw/zinc/93/33/63/1093933363.db2.gz TXWIHSPUFCPAEU-VURMDHGXSA-N -1 3 334.383 2.993 20 30 EFEDHM Cc1cc(C=CC(=O)c2cnn(C3CCC3)c2)ccc1-c1nn[n-]n1 ZINC001591959625 1093933365 /nfs/dbraw/zinc/93/33/65/1093933365.db2.gz TXWIHSPUFCPAEU-VURMDHGXSA-N -1 3 334.383 2.993 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001591985976 1093947706 /nfs/dbraw/zinc/94/77/06/1093947706.db2.gz BJTMCTOUVKRXAE-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001591985976 1093947709 /nfs/dbraw/zinc/94/77/09/1093947709.db2.gz BJTMCTOUVKRXAE-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(OC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1-c1nnn[n-]1 ZINC001592057700 1093969544 /nfs/dbraw/zinc/96/95/44/1093969544.db2.gz NPBIMUJDVKQCEO-UHFFFAOYSA-N -1 3 345.362 2.684 20 30 EFEDHM Cc1cc(OC(=O)C2(c3ccc(C#N)cc3)CC2)ccc1-c1nn[n-]n1 ZINC001592057700 1093969548 /nfs/dbraw/zinc/96/95/48/1093969548.db2.gz NPBIMUJDVKQCEO-UHFFFAOYSA-N -1 3 345.362 2.684 20 30 EFEDHM Cc1ccc(-c2n[nH]cc2C=NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001592074800 1093975870 /nfs/dbraw/zinc/97/58/70/1093975870.db2.gz UOTIBFSKOWMCPB-UHFFFAOYSA-N -1 3 334.343 2.604 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c(C)cc(C#N)cc1C ZINC001592104102 1093981441 /nfs/dbraw/zinc/98/14/41/1093981441.db2.gz QEOKLUGSDGQUDV-UHFFFAOYSA-N -1 3 346.394 2.845 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c(C)cc(C#N)cc1C ZINC001592104102 1093981444 /nfs/dbraw/zinc/98/14/44/1093981444.db2.gz QEOKLUGSDGQUDV-UHFFFAOYSA-N -1 3 346.394 2.845 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001592113110 1093985211 /nfs/dbraw/zinc/98/52/11/1093985211.db2.gz FTMDTGBVLCMILD-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001592113110 1093985214 /nfs/dbraw/zinc/98/52/14/1093985214.db2.gz FTMDTGBVLCMILD-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592115734 1093985845 /nfs/dbraw/zinc/98/58/45/1093985845.db2.gz ZYSBFUIGCUBELT-MDZDMXLPSA-N -1 3 333.351 2.553 20 30 EFEDHM Cc1ccc(C(=O)C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592115734 1093985851 /nfs/dbraw/zinc/98/58/51/1093985851.db2.gz ZYSBFUIGCUBELT-MDZDMXLPSA-N -1 3 333.351 2.553 20 30 EFEDHM Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001592132237 1093990559 /nfs/dbraw/zinc/99/05/59/1093990559.db2.gz BWGVSLLEHAFWFZ-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C(=O)O[C@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001592132237 1093990563 /nfs/dbraw/zinc/99/05/63/1093990563.db2.gz BWGVSLLEHAFWFZ-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1-c1nnn[n-]1 ZINC001592132912 1093991490 /nfs/dbraw/zinc/99/14/90/1093991490.db2.gz PXZJOAFTDXGWDA-OAHLLOKOSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1-c1nn[n-]n1 ZINC001592132912 1093991493 /nfs/dbraw/zinc/99/14/93/1093991493.db2.gz PXZJOAFTDXGWDA-OAHLLOKOSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC001592148969 1093999134 /nfs/dbraw/zinc/99/91/34/1093999134.db2.gz TYNSZMICPUUWNR-UHFFFAOYSA-N -1 3 338.396 2.680 20 30 EFEDHM Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC001592148969 1093999138 /nfs/dbraw/zinc/99/91/38/1093999138.db2.gz TYNSZMICPUUWNR-UHFFFAOYSA-N -1 3 338.396 2.680 20 30 EFEDHM Cc1ccc(CN2CCCc3cc(C#N)ccc32)cc1-c1nnn[n-]1 ZINC001592154928 1094004117 /nfs/dbraw/zinc/00/41/17/1094004117.db2.gz JZCKISHCXQRWHE-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1ccc(CN2CCCc3cc(C#N)ccc32)cc1-c1nn[n-]n1 ZINC001592154928 1094004120 /nfs/dbraw/zinc/00/41/20/1094004120.db2.gz JZCKISHCXQRWHE-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1ccc(O)c2c1[C@@H](C)CC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001592186870 1094023302 /nfs/dbraw/zinc/02/33/02/1094023302.db2.gz VHHTVFAWJLIUOU-LBPRGKRZSA-N -1 3 348.410 2.882 20 30 EFEDHM Cc1ccc(O)c2c1[C@@H](C)CC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001592186870 1094023306 /nfs/dbraw/zinc/02/33/06/1094023306.db2.gz VHHTVFAWJLIUOU-LBPRGKRZSA-N -1 3 348.410 2.882 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)cn2c1 ZINC001592205846 1094030403 /nfs/dbraw/zinc/03/04/03/1094030403.db2.gz BBPFRVGGTCKAJC-FPLPWBNLSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)cn2c1 ZINC001592205846 1094030409 /nfs/dbraw/zinc/03/04/09/1094030409.db2.gz BBPFRVGGTCKAJC-FPLPWBNLSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)cn2c1 ZINC001592205843 1094032075 /nfs/dbraw/zinc/03/20/75/1094032075.db2.gz BBPFRVGGTCKAJC-BQYQJAHWSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)cn2c1 ZINC001592205843 1094032083 /nfs/dbraw/zinc/03/20/83/1094032083.db2.gz BBPFRVGGTCKAJC-BQYQJAHWSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccccc1-n1nccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001592248067 1094049695 /nfs/dbraw/zinc/04/96/95/1094049695.db2.gz YXIUEXBYHLSKMT-UHFFFAOYSA-N -1 3 344.382 2.807 20 30 EFEDHM Cc1ccccc1C1=CCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001592252694 1094051227 /nfs/dbraw/zinc/05/12/27/1094051227.db2.gz IWSRHPXFLYKXFK-UHFFFAOYSA-N -1 3 328.379 2.950 20 30 EFEDHM Cc1ccccc1C1=CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001592252694 1094051232 /nfs/dbraw/zinc/05/12/32/1094051232.db2.gz IWSRHPXFLYKXFK-UHFFFAOYSA-N -1 3 328.379 2.950 20 30 EFEDHM Cc1ccccc1SC[C@H](C)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001592259665 1094057646 /nfs/dbraw/zinc/05/76/46/1094057646.db2.gz RPQXTPJYOCOPAC-LLVKDONJSA-N -1 3 339.428 2.672 20 30 EFEDHM Cc1csc(NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)c1C#N ZINC001592322237 1094078076 /nfs/dbraw/zinc/07/80/76/1094078076.db2.gz XIQDQEZZGPDKHB-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1csc(NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)c1C#N ZINC001592322237 1094078084 /nfs/dbraw/zinc/07/80/84/1094078084.db2.gz XIQDQEZZGPDKHB-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCc1cc(Cl)cc(Cl)c1 ZINC001592340542 1094081389 /nfs/dbraw/zinc/08/13/89/1094081389.db2.gz HVKUEGUAIYRVCK-UHFFFAOYSA-N -1 3 348.197 2.793 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCc1cc(Cl)cc(Cl)c1 ZINC001592340542 1094081393 /nfs/dbraw/zinc/08/13/93/1094081393.db2.gz HVKUEGUAIYRVCK-UHFFFAOYSA-N -1 3 348.197 2.793 20 30 EFEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2cc(C#N)ccc2F)n1 ZINC001592353814 1094085372 /nfs/dbraw/zinc/08/53/72/1094085372.db2.gz WDRIKZKUSSJCJY-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1C#N ZINC001592367479 1094090450 /nfs/dbraw/zinc/09/04/50/1094090450.db2.gz AQHONQCMLSXMHL-UHFFFAOYSA-N -1 3 339.790 2.732 20 30 EFEDHM Cc1nc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1C#N ZINC001592367479 1094090454 /nfs/dbraw/zinc/09/04/54/1094090454.db2.gz AQHONQCMLSXMHL-UHFFFAOYSA-N -1 3 339.790 2.732 20 30 EFEDHM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592429997 1094104788 /nfs/dbraw/zinc/10/47/88/1094104788.db2.gz ZBKDSZYJSVOKPN-FNORWQNLSA-N -1 3 340.362 2.988 20 30 EFEDHM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592429997 1094104790 /nfs/dbraw/zinc/10/47/90/1094104790.db2.gz ZBKDSZYJSVOKPN-FNORWQNLSA-N -1 3 340.362 2.988 20 30 EFEDHM FC1(F)CCC[C@@H]1CNN=Cc1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001592627996 1094146530 /nfs/dbraw/zinc/14/65/30/1094146530.db2.gz KUVWFPTZBAVBEL-LLVKDONJSA-N -1 3 345.357 2.707 20 30 EFEDHM FC1(F)CCC[C@@H]1CNN=Cc1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001592627996 1094146532 /nfs/dbraw/zinc/14/65/32/1094146532.db2.gz KUVWFPTZBAVBEL-LLVKDONJSA-N -1 3 345.357 2.707 20 30 EFEDHM N#C[C@]1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CC12CCCC2 ZINC001592667060 1094172769 /nfs/dbraw/zinc/17/27/69/1094172769.db2.gz OHZHUMFYHVNQHN-KRWDZBQOSA-N -1 3 341.346 2.523 20 30 EFEDHM N#C[C@]1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CC12CCCC2 ZINC001592667060 1094172770 /nfs/dbraw/zinc/17/27/70/1094172770.db2.gz OHZHUMFYHVNQHN-KRWDZBQOSA-N -1 3 341.346 2.523 20 30 EFEDHM N#CC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)CCC1 ZINC001592668104 1094172773 /nfs/dbraw/zinc/17/27/73/1094172773.db2.gz FEKYBUAVFHPKKZ-UHFFFAOYSA-N -1 3 337.387 2.559 20 30 EFEDHM N#CC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)CCC1 ZINC001592668104 1094172774 /nfs/dbraw/zinc/17/27/74/1094172774.db2.gz FEKYBUAVFHPKKZ-UHFFFAOYSA-N -1 3 337.387 2.559 20 30 EFEDHM N#CC1(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CC2(CC2)C1 ZINC001592667611 1094172838 /nfs/dbraw/zinc/17/28/38/1094172838.db2.gz ZXTCADMRIQOKGC-UHFFFAOYSA-N -1 3 343.774 2.647 20 30 EFEDHM N#CC1(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CC2(CC2)C1 ZINC001592667611 1094172840 /nfs/dbraw/zinc/17/28/40/1094172840.db2.gz ZXTCADMRIQOKGC-UHFFFAOYSA-N -1 3 343.774 2.647 20 30 EFEDHM N#C[C@@]1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)CC2CCC1CC2 ZINC001592666817 1094173238 /nfs/dbraw/zinc/17/32/38/1094173238.db2.gz LERFTKMGNBTNKI-QHQKPKPBSA-N -1 3 341.346 2.631 20 30 EFEDHM N#C[C@@]1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)CC2CCC1CC2 ZINC001592666817 1094173244 /nfs/dbraw/zinc/17/32/44/1094173244.db2.gz LERFTKMGNBTNKI-QHQKPKPBSA-N -1 3 341.346 2.631 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592669674 1094173408 /nfs/dbraw/zinc/17/34/08/1094173408.db2.gz RATFUTYAYRVYPF-MSOLQXFVSA-N -1 3 346.394 2.505 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592669674 1094173412 /nfs/dbraw/zinc/17/34/12/1094173412.db2.gz RATFUTYAYRVYPF-MSOLQXFVSA-N -1 3 346.394 2.505 20 30 EFEDHM N#C[C@H](OC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001592669656 1094173518 /nfs/dbraw/zinc/17/35/18/1094173518.db2.gz QVLGVLAXHBKENB-AWEZNQCLSA-N -1 3 329.335 2.635 20 30 EFEDHM N#C[C@H](OC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001592669656 1094173526 /nfs/dbraw/zinc/17/35/26/1094173526.db2.gz QVLGVLAXHBKENB-AWEZNQCLSA-N -1 3 329.335 2.635 20 30 EFEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC001592670015 1094173596 /nfs/dbraw/zinc/17/35/96/1094173596.db2.gz WQMYLGFWZUIDRK-AWEZNQCLSA-N -1 3 344.806 2.722 20 30 EFEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC001592670015 1094173600 /nfs/dbraw/zinc/17/36/00/1094173600.db2.gz WQMYLGFWZUIDRK-AWEZNQCLSA-N -1 3 344.806 2.722 20 30 EFEDHM N#C[C@]1(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CC2CCC1CC2 ZINC001592667122 1094173621 /nfs/dbraw/zinc/17/36/21/1094173621.db2.gz PFHORUKTBMJZAV-WDFXGECGSA-N -1 3 340.362 2.664 20 30 EFEDHM N#C[C@]1(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CC2CCC1CC2 ZINC001592667122 1094173623 /nfs/dbraw/zinc/17/36/23/1094173623.db2.gz PFHORUKTBMJZAV-WDFXGECGSA-N -1 3 340.362 2.664 20 30 EFEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC001592671977 1094174165 /nfs/dbraw/zinc/17/41/65/1094174165.db2.gz ADIBMJCCFBDTPR-GXSJLCMTSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC001592671977 1094174170 /nfs/dbraw/zinc/17/41/70/1094174170.db2.gz ADIBMJCCFBDTPR-GXSJLCMTSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@@H]1CCC[C@@H](OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592672296 1094174528 /nfs/dbraw/zinc/17/45/28/1094174528.db2.gz GSJKPWJVLKFUAE-DGCLKSJQSA-N -1 3 343.412 2.584 20 30 EFEDHM N#C[C@@H]1CCC[C@@H](OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592672296 1094174535 /nfs/dbraw/zinc/17/45/35/1094174535.db2.gz GSJKPWJVLKFUAE-DGCLKSJQSA-N -1 3 343.412 2.584 20 30 EFEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC001592671980 1094174593 /nfs/dbraw/zinc/17/45/93/1094174593.db2.gz ADIBMJCCFBDTPR-MWLCHTKSSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC001592671980 1094174595 /nfs/dbraw/zinc/17/45/95/1094174595.db2.gz ADIBMJCCFBDTPR-MWLCHTKSSA-N -1 3 331.763 2.759 20 30 EFEDHM N#CC1(c2ccc(CN3Cc4ccc(-c5nn[n-]n5)cc4C3)cc2)CC1 ZINC001592671705 1094174725 /nfs/dbraw/zinc/17/47/25/1094174725.db2.gz VJVVHBYSPJWPHN-UHFFFAOYSA-N -1 3 342.406 2.938 20 30 EFEDHM N#CCC1CCN(c2ncc(-c3nnn[n-]3)c3ccsc32)CC1 ZINC001592673539 1094174973 /nfs/dbraw/zinc/17/49/73/1094174973.db2.gz GPECQIYXZZYFSD-UHFFFAOYSA-N -1 3 325.401 2.606 20 30 EFEDHM N#CCC1CCN(c2ncc(-c3nn[n-]n3)c3ccsc32)CC1 ZINC001592673539 1094174977 /nfs/dbraw/zinc/17/49/77/1094174977.db2.gz GPECQIYXZZYFSD-UHFFFAOYSA-N -1 3 325.401 2.606 20 30 EFEDHM N#CC1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001592672277 1094175014 /nfs/dbraw/zinc/17/50/14/1094175014.db2.gz GNKVMZCKRXNQIR-UHFFFAOYSA-N -1 3 327.348 2.517 20 30 EFEDHM N#CC1CCC(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001592672277 1094175018 /nfs/dbraw/zinc/17/50/18/1094175018.db2.gz GNKVMZCKRXNQIR-UHFFFAOYSA-N -1 3 327.348 2.517 20 30 EFEDHM N#CCCCCCC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001592675473 1094175112 /nfs/dbraw/zinc/17/51/12/1094175112.db2.gz UWFVSPBUSJFMFL-UHFFFAOYSA-N -1 3 338.415 2.836 20 30 EFEDHM N#CCCCCCC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001592675473 1094175115 /nfs/dbraw/zinc/17/51/15/1094175115.db2.gz UWFVSPBUSJFMFL-UHFFFAOYSA-N -1 3 338.415 2.836 20 30 EFEDHM N#CC1(c2ccc(-c3ccc(O)cc3-c3nnn[n-]3)cc2)CCOCC1 ZINC001592671757 1094175149 /nfs/dbraw/zinc/17/51/49/1094175149.db2.gz WBGYVRCQIOJTMQ-UHFFFAOYSA-N -1 3 347.378 2.811 20 30 EFEDHM N#CC1(c2ccc(-c3ccc(O)cc3-c3nn[n-]n3)cc2)CCOCC1 ZINC001592671757 1094175158 /nfs/dbraw/zinc/17/51/58/1094175158.db2.gz WBGYVRCQIOJTMQ-UHFFFAOYSA-N -1 3 347.378 2.811 20 30 EFEDHM N#CCc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001592680170 1094175899 /nfs/dbraw/zinc/17/58/99/1094175899.db2.gz PXTCJZQUYZNMMF-UHFFFAOYSA-N -1 3 335.396 2.742 20 30 EFEDHM N#CCc1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001592680170 1094175906 /nfs/dbraw/zinc/17/59/06/1094175906.db2.gz PXTCJZQUYZNMMF-UHFFFAOYSA-N -1 3 335.396 2.742 20 30 EFEDHM N#C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1c1ccccc1 ZINC001592681215 1094175930 /nfs/dbraw/zinc/17/59/30/1094175930.db2.gz MECSHTKHAIAIDM-WBVHZDCISA-N -1 3 348.385 2.745 20 30 EFEDHM N#C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1c1ccccc1 ZINC001592681215 1094175934 /nfs/dbraw/zinc/17/59/34/1094175934.db2.gz MECSHTKHAIAIDM-WBVHZDCISA-N -1 3 348.385 2.745 20 30 EFEDHM N#Cc1c2c(nc(NCCCCF)c1-c1nnn[n-]1)CCCCCC2 ZINC001592685157 1094176071 /nfs/dbraw/zinc/17/60/71/1094176071.db2.gz LEPOYARPQIPOMS-UHFFFAOYSA-N -1 3 343.410 2.954 20 30 EFEDHM N#Cc1c2c(nc(NCCCCF)c1-c1nn[n-]n1)CCCCCC2 ZINC001592685157 1094176074 /nfs/dbraw/zinc/17/60/74/1094176074.db2.gz LEPOYARPQIPOMS-UHFFFAOYSA-N -1 3 343.410 2.954 20 30 EFEDHM N#CCc1ccc(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC001592681433 1094176260 /nfs/dbraw/zinc/17/62/60/1094176260.db2.gz BHAUTSZNTMSUDZ-UHFFFAOYSA-N -1 3 329.323 2.650 20 30 EFEDHM N#CCc1ccc(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC001592681433 1094176263 /nfs/dbraw/zinc/17/62/63/1094176263.db2.gz BHAUTSZNTMSUDZ-UHFFFAOYSA-N -1 3 329.323 2.650 20 30 EFEDHM N#CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)c1 ZINC001592679746 1094176701 /nfs/dbraw/zinc/17/67/01/1094176701.db2.gz BEPXBASHOFUQBN-DLBZAZTESA-N -1 3 344.378 2.675 20 30 EFEDHM N#CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)c1 ZINC001592679746 1094176705 /nfs/dbraw/zinc/17/67/05/1094176705.db2.gz BEPXBASHOFUQBN-DLBZAZTESA-N -1 3 344.378 2.675 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001592693560 1094178463 /nfs/dbraw/zinc/17/84/63/1094178463.db2.gz MJEJESJVFMVNET-UHFFFAOYSA-N -1 3 343.705 2.750 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001592693560 1094178466 /nfs/dbraw/zinc/17/84/66/1094178466.db2.gz MJEJESJVFMVNET-UHFFFAOYSA-N -1 3 343.705 2.750 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC001592693693 1094178752 /nfs/dbraw/zinc/17/87/52/1094178752.db2.gz WPVJLBBJFLYTBU-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)OCc2ccccc2-c2nn[n-]n2)c1 ZINC001592693693 1094178757 /nfs/dbraw/zinc/17/87/57/1094178757.db2.gz WPVJLBBJFLYTBU-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)cs2)cc1-c1nnn[n-]1 ZINC001592695312 1094178810 /nfs/dbraw/zinc/17/88/10/1094178810.db2.gz RHYSKWOSFWMRFR-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(Cl)cs2)cc1-c1nn[n-]n1 ZINC001592695312 1094178814 /nfs/dbraw/zinc/17/88/14/1094178814.db2.gz RHYSKWOSFWMRFR-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(CCNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC001592692713 1094179114 /nfs/dbraw/zinc/17/91/14/1094179114.db2.gz ACMHQXIAZRHZRW-UHFFFAOYSA-N -1 3 345.410 2.667 20 30 EFEDHM N#Cc1ccc(CCNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC001592692713 1094179118 /nfs/dbraw/zinc/17/91/18/1094179118.db2.gz ACMHQXIAZRHZRW-UHFFFAOYSA-N -1 3 345.410 2.667 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1-c1nnn[n-]1 ZINC001592695043 1094179482 /nfs/dbraw/zinc/17/94/82/1094179482.db2.gz ADLNPWXHESVFIS-GXTWGEPZSA-N -1 3 336.380 2.542 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)cc1-c1nn[n-]n1 ZINC001592695043 1094179488 /nfs/dbraw/zinc/17/94/88/1094179488.db2.gz ADLNPWXHESVFIS-GXTWGEPZSA-N -1 3 336.380 2.542 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@](F)(c2ccccc2)C1 ZINC001592698345 1094180176 /nfs/dbraw/zinc/18/01/76/1094180176.db2.gz XRSRNFRPKDWWEM-SFHVURJKSA-N -1 3 334.358 2.813 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@](F)(c2ccccc2)C1 ZINC001592698345 1094180180 /nfs/dbraw/zinc/18/01/80/1094180180.db2.gz XRSRNFRPKDWWEM-SFHVURJKSA-N -1 3 334.358 2.813 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC001592696949 1094180447 /nfs/dbraw/zinc/18/04/47/1094180447.db2.gz ABFVSKVPUNWYSY-ACAGNQJTSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC001592696949 1094180453 /nfs/dbraw/zinc/18/04/53/1094180453.db2.gz ABFVSKVPUNWYSY-ACAGNQJTSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3c(c2)CCC=C3)cc1-c1nnn[n-]1 ZINC001592696288 1094180473 /nfs/dbraw/zinc/18/04/73/1094180473.db2.gz VZGOHRHTTVOHAT-UHFFFAOYSA-N -1 3 342.362 2.950 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3c(c2)CCC=C3)cc1-c1nn[n-]n1 ZINC001592696288 1094180479 /nfs/dbraw/zinc/18/04/79/1094180479.db2.gz VZGOHRHTTVOHAT-UHFFFAOYSA-N -1 3 342.362 2.950 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(F)(c2ccccc2F)C1 ZINC001592697951 1094180541 /nfs/dbraw/zinc/18/05/41/1094180541.db2.gz DBBHKECFZTUJRU-UHFFFAOYSA-N -1 3 338.321 2.562 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(F)(c2ccccc2F)C1 ZINC001592697951 1094180544 /nfs/dbraw/zinc/18/05/44/1094180544.db2.gz DBBHKECFZTUJRU-UHFFFAOYSA-N -1 3 338.321 2.562 20 30 EFEDHM N#Cc1ccc(NC(=O)c2nsc3ccccc32)cc1-c1nnn[n-]1 ZINC001592696117 1094180561 /nfs/dbraw/zinc/18/05/61/1094180561.db2.gz IALHQQOMNDTFSS-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(NC(=O)c2nsc3ccccc32)cc1-c1nn[n-]n1 ZINC001592696117 1094180566 /nfs/dbraw/zinc/18/05/66/1094180566.db2.gz IALHQQOMNDTFSS-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001592697504 1094180659 /nfs/dbraw/zinc/18/06/59/1094180659.db2.gz JOAAVOQLDCNIAP-CQSZACIVSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001592697504 1094180661 /nfs/dbraw/zinc/18/06/61/1094180661.db2.gz JOAAVOQLDCNIAP-CQSZACIVSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(OC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)c(F)c1 ZINC001592697026 1094180750 /nfs/dbraw/zinc/18/07/50/1094180750.db2.gz JWZHMDFJNOAMLD-UHFFFAOYSA-N -1 3 343.705 2.750 20 30 EFEDHM N#Cc1ccc(OC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)c(F)c1 ZINC001592697026 1094180751 /nfs/dbraw/zinc/18/07/51/1094180751.db2.gz JWZHMDFJNOAMLD-UHFFFAOYSA-N -1 3 343.705 2.750 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc(NC(=O)C2CC2)cc1 ZINC001592700529 1094181335 /nfs/dbraw/zinc/18/13/35/1094181335.db2.gz JKHIDJRDWJEIHS-UHFFFAOYSA-N -1 3 346.350 2.879 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc(NC(=O)C2CC2)cc1 ZINC001592700529 1094181347 /nfs/dbraw/zinc/18/13/47/1094181347.db2.gz JKHIDJRDWJEIHS-UHFFFAOYSA-N -1 3 346.350 2.879 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCOc1ccc(F)cc1F ZINC001592699650 1094181551 /nfs/dbraw/zinc/18/15/51/1094181551.db2.gz GKDRRYOZXIDKSJ-UHFFFAOYSA-N -1 3 342.309 2.507 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCOc1ccc(F)cc1F ZINC001592699650 1094181553 /nfs/dbraw/zinc/18/15/53/1094181553.db2.gz GKDRRYOZXIDKSJ-UHFFFAOYSA-N -1 3 342.309 2.507 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC[C@H]1OCCc2ccccc21 ZINC001592699967 1094181685 /nfs/dbraw/zinc/18/16/85/1094181685.db2.gz UXHMXLWIBWZFMA-QGZVFWFLSA-N -1 3 346.394 2.854 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC[C@H]1OCCc2ccccc21 ZINC001592699967 1094181688 /nfs/dbraw/zinc/18/16/88/1094181688.db2.gz UXHMXLWIBWZFMA-QGZVFWFLSA-N -1 3 346.394 2.854 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H](c2ccncc2)C1 ZINC001592698656 1094181978 /nfs/dbraw/zinc/18/19/78/1094181978.db2.gz GUBQFWUWTDEOIH-HNNXBMFYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H](c2ccncc2)C1 ZINC001592698656 1094181983 /nfs/dbraw/zinc/18/19/83/1094181983.db2.gz GUBQFWUWTDEOIH-HNNXBMFYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC1CC(Nc2ccccc2)C1 ZINC001592698927 1094182193 /nfs/dbraw/zinc/18/21/93/1094182193.db2.gz LWWSCPTWYFQIQA-UHFFFAOYSA-N -1 3 331.383 2.793 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC1CC(Nc2ccccc2)C1 ZINC001592698927 1094182200 /nfs/dbraw/zinc/18/22/00/1094182200.db2.gz LWWSCPTWYFQIQA-UHFFFAOYSA-N -1 3 331.383 2.793 20 30 EFEDHM N#Cc1ncn(Cc2ccc(-c3cccs3)cc2)c1-c1nnn[n-]1 ZINC001592709518 1094183074 /nfs/dbraw/zinc/18/30/74/1094183074.db2.gz IABOZTHKDGSYRX-UHFFFAOYSA-N -1 3 333.380 2.712 20 30 EFEDHM N#Cc1nc(NCc2ccc(-c3nnn[n-]3)c(F)c2)ccc1Cl ZINC001592707610 1094183177 /nfs/dbraw/zinc/18/31/77/1094183177.db2.gz PQMUFWPWXLETDT-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM N#Cc1nc(NCc2ccc(-c3nn[n-]n3)c(F)c2)ccc1Cl ZINC001592707610 1094183180 /nfs/dbraw/zinc/18/31/80/1094183180.db2.gz PQMUFWPWXLETDT-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM N#Cc1cnccc1CN1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592704070 1094183605 /nfs/dbraw/zinc/18/36/05/1094183605.db2.gz RFSJRPVKEMVFIC-UHFFFAOYSA-N -1 3 345.410 2.513 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC001592791716 1094187821 /nfs/dbraw/zinc/18/78/21/1094187821.db2.gz JVDBYZDWHWSDRR-GQCTYLIASA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC001592791716 1094187823 /nfs/dbraw/zinc/18/78/23/1094187823.db2.gz JVDBYZDWHWSDRR-GQCTYLIASA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccnn1CC1CCC1 ZINC001592791810 1094188389 /nfs/dbraw/zinc/18/83/89/1094188389.db2.gz OGVGXRUSKSJPQJ-TWGQIWQCSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccnn1CC1CCC1 ZINC001592791810 1094188396 /nfs/dbraw/zinc/18/83/96/1094188396.db2.gz OGVGXRUSKSJPQJ-TWGQIWQCSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2[nH]c(=O)oc2c1 ZINC001592791467 1094188586 /nfs/dbraw/zinc/18/85/86/1094188586.db2.gz JPYKWINXXQZEMW-RQOWECAXSA-N -1 3 339.336 2.671 20 30 EFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2[nH]c(=O)oc2c1 ZINC001592791467 1094188591 /nfs/dbraw/zinc/18/85/91/1094188591.db2.gz JPYKWINXXQZEMW-RQOWECAXSA-N -1 3 339.336 2.671 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC001592794982 1094189319 /nfs/dbraw/zinc/18/93/19/1094189319.db2.gz URVOBOCCANONHA-RMKNXTFCSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001592794982 1094189323 /nfs/dbraw/zinc/18/93/23/1094189323.db2.gz URVOBOCCANONHA-RMKNXTFCSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592804405 1094191737 /nfs/dbraw/zinc/19/17/37/1094191737.db2.gz YKOXBJSIXFIBET-IZZDOVSWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592804405 1094191740 /nfs/dbraw/zinc/19/17/40/1094191740.db2.gz YKOXBJSIXFIBET-IZZDOVSWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C1c2ccc(Cl)nc2CC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001593379719 1094302326 /nfs/dbraw/zinc/30/23/26/1094302326.db2.gz HZTMRNROGAUNME-RMKNXTFCSA-N -1 3 341.733 2.877 20 30 EFEDHM O=C1c2ccc(Cl)nc2CC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001593379719 1094302329 /nfs/dbraw/zinc/30/23/29/1094302329.db2.gz HZTMRNROGAUNME-RMKNXTFCSA-N -1 3 341.733 2.877 20 30 EFEDHM COc1cc(/C=C\C(=O)c2ccnn2C)cc(Br)c1[O-] ZINC000588594835 1094302904 /nfs/dbraw/zinc/30/29/04/1094302904.db2.gz BKPJDWLVBIDBHX-ARJAWSKDSA-N -1 3 337.173 2.793 20 30 EFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Oc2cc(F)cc(F)c21 ZINC001593376449 1094304366 /nfs/dbraw/zinc/30/43/66/1094304366.db2.gz NQBXXHQNWVXMSR-NYYWCZLTSA-N -1 3 332.291 2.823 20 30 EFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Oc2cc(F)cc(F)c21 ZINC001593376449 1094304369 /nfs/dbraw/zinc/30/43/69/1094304369.db2.gz NQBXXHQNWVXMSR-NYYWCZLTSA-N -1 3 332.291 2.823 20 30 EFEDHM C[C@]1(C#N)CCCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001597260782 1094576202 /nfs/dbraw/zinc/57/62/02/1094576202.db2.gz YEEWRJKGULUFHT-QGZVFWFLSA-N -1 3 329.787 2.947 20 30 EFEDHM Cn1c(C(=O)[O-])ccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC001600902123 1095415378 /nfs/dbraw/zinc/41/53/78/1095415378.db2.gz FBILBGIYVCUWDF-VIFPVBQESA-N -1 3 331.397 2.967 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(C(=O)[O-])s1 ZINC001600908343 1095420324 /nfs/dbraw/zinc/42/03/24/1095420324.db2.gz ARAZMENYEGESPO-VIFPVBQESA-N -1 3 325.349 2.823 20 30 EFEDHM N#CC(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccc2ccccc2n1 ZINC001601047071 1095478257 /nfs/dbraw/zinc/47/82/57/1095478257.db2.gz HZSPCOCNNIQUPD-RRFJBIMHSA-N -1 3 338.363 2.681 20 30 EFEDHM N#CC1(C(=O)[O-])CCN(C[C@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC001601053304 1095482870 /nfs/dbraw/zinc/48/28/70/1095482870.db2.gz UEVDRCQXUDMRAI-SJORKVTESA-N -1 3 328.412 2.987 20 30 EFEDHM N#CC1(c2ccccc2)CC(N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)C1 ZINC001601057771 1095485073 /nfs/dbraw/zinc/48/50/73/1095485073.db2.gz DAKBGGGKYYWXFG-MOMVYJMYSA-N -1 3 348.402 2.961 20 30 EFEDHM N#C[C@@H]1CC[C@@H](N[C@@H](C(=O)[O-])c2ccccc2OC(F)(F)F)C1 ZINC001601060120 1095486428 /nfs/dbraw/zinc/48/64/28/1095486428.db2.gz XFDCUIVDKSWPQY-GIPNMCIBSA-N -1 3 328.290 2.993 20 30 EFEDHM N#C[C@@H]1CC[C@H](N[C@@H](C(=O)[O-])c2ccccc2OC(F)(F)F)C1 ZINC001601060119 1095486614 /nfs/dbraw/zinc/48/66/14/1095486614.db2.gz XFDCUIVDKSWPQY-GBIKHYSHSA-N -1 3 328.290 2.993 20 30 EFEDHM N#CCOc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1 ZINC001601073707 1095491774 /nfs/dbraw/zinc/49/17/74/1095491774.db2.gz JTPYKVOMRYBVER-QWHCGFSZSA-N -1 3 342.317 2.674 20 30 EFEDHM N#Cc1ccc(NC(=O)CCN2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC001601107017 1095516538 /nfs/dbraw/zinc/51/65/38/1095516538.db2.gz NUXYADNOQVHPPZ-UHFFFAOYSA-N -1 3 349.390 2.643 20 30 EFEDHM N#Cc1ccc(NC(=O)CCN2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001601107188 1095516781 /nfs/dbraw/zinc/51/67/81/1095516781.db2.gz UFPUYHLBHYHTQT-UHFFFAOYSA-N -1 3 349.390 2.643 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)nc1 ZINC001601108668 1095516882 /nfs/dbraw/zinc/51/68/82/1095516882.db2.gz SVUPESHVTPLCQG-AWEZNQCLSA-N -1 3 342.424 2.789 20 30 EFEDHM N#Cc1cccc(NC(=O)CCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001601120721 1095525875 /nfs/dbraw/zinc/52/58/75/1095525875.db2.gz HUSFROBPBYKEMN-SFHVURJKSA-N -1 3 349.390 2.571 20 30 EFEDHM Cc1nsc(N(C)CCCN(C)C(=O)c2ccccc2[O-])c1C#N ZINC001112044208 1095697732 /nfs/dbraw/zinc/69/77/32/1095697732.db2.gz IYJLENHZCTZIEJ-UHFFFAOYSA-N -1 3 344.440 2.627 20 30 EFEDHM C#C[C@@H](NC(=O)c1csc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001602689244 1096350847 /nfs/dbraw/zinc/35/08/47/1096350847.db2.gz POMGCQOXQRWFKR-GFCCVEGCSA-N -1 3 343.799 2.686 20 30 EFEDHM C#C[C@H](C)N(C)C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001602690285 1096350891 /nfs/dbraw/zinc/35/08/91/1096350891.db2.gz SZTAVEBOBDKAKW-VIFPVBQESA-N -1 3 332.433 2.711 20 30 EFEDHM C#C[C@H](C)N(C)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001602690285 1096350895 /nfs/dbraw/zinc/35/08/95/1096350895.db2.gz SZTAVEBOBDKAKW-VIFPVBQESA-N -1 3 332.433 2.711 20 30 EFEDHM C#C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C(C)C ZINC001602689430 1096351717 /nfs/dbraw/zinc/35/17/17/1096351717.db2.gz RDXVGUOFFFMDEK-GOSISDBHSA-N -1 3 345.406 2.921 20 30 EFEDHM C#C[C@@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C(C)C ZINC001602689430 1096351724 /nfs/dbraw/zinc/35/17/24/1096351724.db2.gz RDXVGUOFFFMDEK-GOSISDBHSA-N -1 3 345.406 2.921 20 30 EFEDHM C#C[C@@H](CC)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001602689807 1096351834 /nfs/dbraw/zinc/35/18/34/1096351834.db2.gz LVBKRLFEUSXBNG-ZDUSSCGKSA-N -1 3 331.379 2.675 20 30 EFEDHM C#C[C@@H](CC)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001602689807 1096351838 /nfs/dbraw/zinc/35/18/38/1096351838.db2.gz LVBKRLFEUSXBNG-ZDUSSCGKSA-N -1 3 331.379 2.675 20 30 EFEDHM C#CCCCCCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001602711495 1096354647 /nfs/dbraw/zinc/35/46/47/1096354647.db2.gz VZHGEZPCFLUUKC-UHFFFAOYSA-N -1 3 334.326 2.885 20 30 EFEDHM C#CCCCCCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001602711495 1096354659 /nfs/dbraw/zinc/35/46/59/1096354659.db2.gz VZHGEZPCFLUUKC-UHFFFAOYSA-N -1 3 334.326 2.885 20 30 EFEDHM C#CCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1C(C)=O ZINC001602711279 1096355556 /nfs/dbraw/zinc/35/55/56/1096355556.db2.gz PHRXRDSESXVZCK-UHFFFAOYSA-N -1 3 325.372 2.592 20 30 EFEDHM C#CCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1C(C)=O ZINC001602711279 1096355564 /nfs/dbraw/zinc/35/55/64/1096355564.db2.gz PHRXRDSESXVZCK-UHFFFAOYSA-N -1 3 325.372 2.592 20 30 EFEDHM C#CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CCCC1 ZINC001602714151 1096356719 /nfs/dbraw/zinc/35/67/19/1096356719.db2.gz LDPQAHHVUXLVAD-UHFFFAOYSA-N -1 3 344.806 2.930 20 30 EFEDHM C#CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CCCC1 ZINC001602714151 1096356728 /nfs/dbraw/zinc/35/67/28/1096356728.db2.gz LDPQAHHVUXLVAD-UHFFFAOYSA-N -1 3 344.806 2.930 20 30 EFEDHM C#Cc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001602741373 1096359874 /nfs/dbraw/zinc/35/98/74/1096359874.db2.gz IQHFLIAPYBJOPJ-UHFFFAOYSA-N -1 3 332.367 2.512 20 30 EFEDHM C#Cc1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001602741373 1096359881 /nfs/dbraw/zinc/35/98/81/1096359881.db2.gz IQHFLIAPYBJOPJ-UHFFFAOYSA-N -1 3 332.367 2.512 20 30 EFEDHM C(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCCC2)o1 ZINC001602746084 1096361195 /nfs/dbraw/zinc/36/11/95/1096361195.db2.gz GNVGQXORCCJLCX-UHFFFAOYSA-N -1 3 337.387 2.896 20 30 EFEDHM c1ccc2nc(N=NCCCc3ccc(-c4nnn[n-]4)cc3)cnc2c1 ZINC001602746634 1096361943 /nfs/dbraw/zinc/36/19/43/1096361943.db2.gz PTOHHWYRUVROEW-UHFFFAOYSA-N -1 3 344.382 2.840 20 30 EFEDHM c1ccc2nc(N=NCCCc3ccc(-c4nn[n-]n4)cc3)cnc2c1 ZINC001602746634 1096361945 /nfs/dbraw/zinc/36/19/45/1096361945.db2.gz PTOHHWYRUVROEW-UHFFFAOYSA-N -1 3 344.382 2.840 20 30 EFEDHM C=C(C)C(C)(C)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001602753684 1096362646 /nfs/dbraw/zinc/36/26/46/1096362646.db2.gz ROQPHCPHFCHEAD-UHFFFAOYSA-N -1 3 325.372 2.765 20 30 EFEDHM C=C(C)C(C)(C)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001602753684 1096362659 /nfs/dbraw/zinc/36/26/59/1096362659.db2.gz ROQPHCPHFCHEAD-UHFFFAOYSA-N -1 3 325.372 2.765 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001602752067 1096362948 /nfs/dbraw/zinc/36/29/48/1096362948.db2.gz XWIFJYHZRKZOET-LLVKDONJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001602752067 1096362951 /nfs/dbraw/zinc/36/29/51/1096362951.db2.gz XWIFJYHZRKZOET-LLVKDONJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001602752301 1096363461 /nfs/dbraw/zinc/36/34/61/1096363461.db2.gz AOTLGQFWBQUPLO-MFKMUULPSA-N -1 3 342.428 2.870 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001602752301 1096363468 /nfs/dbraw/zinc/36/34/68/1096363468.db2.gz AOTLGQFWBQUPLO-MFKMUULPSA-N -1 3 342.428 2.870 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001602752302 1096363611 /nfs/dbraw/zinc/36/36/11/1096363611.db2.gz AOTLGQFWBQUPLO-ZWNOBZJWSA-N -1 3 342.428 2.870 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001602752302 1096363619 /nfs/dbraw/zinc/36/36/19/1096363619.db2.gz AOTLGQFWBQUPLO-ZWNOBZJWSA-N -1 3 342.428 2.870 20 30 EFEDHM C=C(C)[C@@H](CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21)OCC ZINC001602753750 1096363641 /nfs/dbraw/zinc/36/36/41/1096363641.db2.gz SYRVQYZOWNNUSN-MRXNPFEDSA-N -1 3 341.415 2.517 20 30 EFEDHM C=C(C)[C@@H](CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21)OCC ZINC001602753750 1096363646 /nfs/dbraw/zinc/36/36/46/1096363646.db2.gz SYRVQYZOWNNUSN-MRXNPFEDSA-N -1 3 341.415 2.517 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602773294 1096367247 /nfs/dbraw/zinc/36/72/47/1096367247.db2.gz TUQGQWFKSKBYNF-VBNZEHGJSA-N -1 3 338.415 2.820 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602773294 1096367257 /nfs/dbraw/zinc/36/72/57/1096367257.db2.gz TUQGQWFKSKBYNF-VBNZEHGJSA-N -1 3 338.415 2.820 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001602773010 1096368190 /nfs/dbraw/zinc/36/81/90/1096368190.db2.gz IVABYWNPFNHLBV-AOOOYVTPSA-N -1 3 336.321 2.968 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001602773010 1096368194 /nfs/dbraw/zinc/36/81/94/1096368194.db2.gz IVABYWNPFNHLBV-AOOOYVTPSA-N -1 3 336.321 2.968 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602801826 1096371768 /nfs/dbraw/zinc/37/17/68/1096371768.db2.gz WWMNQRINKWTQAB-RYUDHWBXSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602801826 1096371774 /nfs/dbraw/zinc/37/17/74/1096371774.db2.gz WWMNQRINKWTQAB-RYUDHWBXSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001602803082 1096373383 /nfs/dbraw/zinc/37/33/83/1096373383.db2.gz GXMICANNWNCKON-LLVKDONJSA-N -1 3 333.342 2.526 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001602803082 1096373387 /nfs/dbraw/zinc/37/33/87/1096373387.db2.gz GXMICANNWNCKON-LLVKDONJSA-N -1 3 333.342 2.526 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602808913 1096375092 /nfs/dbraw/zinc/37/50/92/1096375092.db2.gz OASJFDPTOMUDCY-LBPRGKRZSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602808913 1096375100 /nfs/dbraw/zinc/37/51/00/1096375100.db2.gz OASJFDPTOMUDCY-LBPRGKRZSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)c(OC)c2)CCCC1 ZINC001602817654 1096375120 /nfs/dbraw/zinc/37/51/20/1096375120.db2.gz KQHXBJHPGAWKSS-UHFFFAOYSA-N -1 3 341.415 2.628 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)c(OC)c2)CCCC1 ZINC001602817654 1096375130 /nfs/dbraw/zinc/37/51/30/1096375130.db2.gz KQHXBJHPGAWKSS-UHFFFAOYSA-N -1 3 341.415 2.628 20 30 EFEDHM C=CCC(C)(C)CNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602809433 1096375328 /nfs/dbraw/zinc/37/53/28/1096375328.db2.gz TUNPBURUPLYSAP-UHFFFAOYSA-N -1 3 325.416 2.617 20 30 EFEDHM C=CCC(C)(C)CNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602809433 1096375335 /nfs/dbraw/zinc/37/53/35/1096375335.db2.gz TUNPBURUPLYSAP-UHFFFAOYSA-N -1 3 325.416 2.617 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC001602817393 1096376157 /nfs/dbraw/zinc/37/61/57/1096376157.db2.gz HIEPSKFTGJKSLJ-UHFFFAOYSA-N -1 3 331.807 2.883 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC001602817393 1096376164 /nfs/dbraw/zinc/37/61/64/1096376164.db2.gz HIEPSKFTGJKSLJ-UHFFFAOYSA-N -1 3 331.807 2.883 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001602823895 1096376823 /nfs/dbraw/zinc/37/68/23/1096376823.db2.gz NBHZHCHQQKZIJB-NSHDSACASA-N -1 3 330.367 2.826 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001602823895 1096376827 /nfs/dbraw/zinc/37/68/27/1096376827.db2.gz NBHZHCHQQKZIJB-NSHDSACASA-N -1 3 330.367 2.826 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC001602822518 1096376916 /nfs/dbraw/zinc/37/69/16/1096376916.db2.gz AASPGWFBDBFHBE-CYBMUJFWSA-N -1 3 326.404 2.995 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC001602822518 1096376925 /nfs/dbraw/zinc/37/69/25/1096376925.db2.gz AASPGWFBDBFHBE-CYBMUJFWSA-N -1 3 326.404 2.995 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC001602822519 1096377437 /nfs/dbraw/zinc/37/74/37/1096377437.db2.gz AASPGWFBDBFHBE-ZDUSSCGKSA-N -1 3 326.404 2.995 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC001602822519 1096377446 /nfs/dbraw/zinc/37/74/46/1096377446.db2.gz AASPGWFBDBFHBE-ZDUSSCGKSA-N -1 3 326.404 2.995 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001602823321 1096377999 /nfs/dbraw/zinc/37/79/99/1096377999.db2.gz JYEOYOSCRZCNPU-GDBMZVCRSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001602823321 1096378009 /nfs/dbraw/zinc/37/80/09/1096378009.db2.gz JYEOYOSCRZCNPU-GDBMZVCRSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001602834303 1096379632 /nfs/dbraw/zinc/37/96/32/1096379632.db2.gz OPKGAKNCVXDSJS-CQSZACIVSA-N -1 3 342.447 2.795 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001602834303 1096379641 /nfs/dbraw/zinc/37/96/41/1096379641.db2.gz OPKGAKNCVXDSJS-CQSZACIVSA-N -1 3 342.447 2.795 20 30 EFEDHM C=CCCCN(CC)C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602840095 1096381476 /nfs/dbraw/zinc/38/14/76/1096381476.db2.gz OYRLVRACMWGUTO-UHFFFAOYSA-N -1 3 325.416 2.713 20 30 EFEDHM C=CCCCN(CC)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602840095 1096381483 /nfs/dbraw/zinc/38/14/83/1096381483.db2.gz OYRLVRACMWGUTO-UHFFFAOYSA-N -1 3 325.416 2.713 20 30 EFEDHM C=CCN(C(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001602847041 1096383186 /nfs/dbraw/zinc/38/31/86/1096383186.db2.gz GRKBLGDDIKLNEH-CYBMUJFWSA-N -1 3 327.432 2.858 20 30 EFEDHM C=CCN(C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001602847041 1096383194 /nfs/dbraw/zinc/38/31/94/1096383194.db2.gz GRKBLGDDIKLNEH-CYBMUJFWSA-N -1 3 327.432 2.858 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602852334 1096385603 /nfs/dbraw/zinc/38/56/03/1096385603.db2.gz OTZOFHWJQZVBTJ-UHFFFAOYSA-N -1 3 349.398 2.524 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602852334 1096385610 /nfs/dbraw/zinc/38/56/10/1096385610.db2.gz OTZOFHWJQZVBTJ-UHFFFAOYSA-N -1 3 349.398 2.524 20 30 EFEDHM C=CCN(Cc1cnc(C2CC2)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602859758 1096387318 /nfs/dbraw/zinc/38/73/18/1096387318.db2.gz JDHDIGSNZNQCLD-UHFFFAOYSA-N -1 3 336.399 2.920 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)OCC(F)(F)F ZINC001602857164 1096387960 /nfs/dbraw/zinc/38/79/60/1096387960.db2.gz VJZIFJMAEJEDCV-UHFFFAOYSA-N -1 3 341.293 2.554 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)OCC(F)(F)F ZINC001602857164 1096387970 /nfs/dbraw/zinc/38/79/70/1096387970.db2.gz VJZIFJMAEJEDCV-UHFFFAOYSA-N -1 3 341.293 2.554 20 30 EFEDHM C=CCOC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001602867168 1096389668 /nfs/dbraw/zinc/38/96/68/1096389668.db2.gz XNTPHGHWFTVLBQ-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001602867168 1096389675 /nfs/dbraw/zinc/38/96/75/1096389675.db2.gz XNTPHGHWFTVLBQ-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOc1cccc(NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC001602870935 1096390452 /nfs/dbraw/zinc/39/04/52/1096390452.db2.gz PIPBKZAPCCKDNK-UHFFFAOYSA-N -1 3 327.369 2.745 20 30 EFEDHM C=CCOc1cccc(NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC001602870935 1096390459 /nfs/dbraw/zinc/39/04/59/1096390459.db2.gz PIPBKZAPCCKDNK-UHFFFAOYSA-N -1 3 327.369 2.745 20 30 EFEDHM C=CCSCCNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602870446 1096390801 /nfs/dbraw/zinc/39/08/01/1096390801.db2.gz MPKVCYLIDYJLIY-UHFFFAOYSA-N -1 3 344.444 2.785 20 30 EFEDHM C=CCSCCNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602870446 1096390802 /nfs/dbraw/zinc/39/08/02/1096390802.db2.gz MPKVCYLIDYJLIY-UHFFFAOYSA-N -1 3 344.444 2.785 20 30 EFEDHM C=CCOc1ccc(C=C2C(=O)Nc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001602869866 1096390916 /nfs/dbraw/zinc/39/09/16/1096390916.db2.gz FZRWASYTQMDMMA-MHWRWJLKSA-N -1 3 345.362 2.924 20 30 EFEDHM C=CCOc1ccc(C=C2C(=O)Nc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001602869866 1096390926 /nfs/dbraw/zinc/39/09/26/1096390926.db2.gz FZRWASYTQMDMMA-MHWRWJLKSA-N -1 3 345.362 2.924 20 30 EFEDHM CC#CCCCC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602892395 1096393815 /nfs/dbraw/zinc/39/38/15/1096393815.db2.gz SNJBLQDEMKPIRB-UHFFFAOYSA-N -1 3 337.427 2.766 20 30 EFEDHM CC#CCCCC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602892395 1096393825 /nfs/dbraw/zinc/39/38/25/1096393825.db2.gz SNJBLQDEMKPIRB-UHFFFAOYSA-N -1 3 337.427 2.766 20 30 EFEDHM CC(=NNCc1cccc2cccnc21)c1cccc(-c2nnn[n-]2)c1 ZINC001602908150 1096397886 /nfs/dbraw/zinc/39/78/86/1096397886.db2.gz NDYIMTHUULMGNV-UHFFFAOYSA-N -1 3 343.394 2.929 20 30 EFEDHM CC(=NNCc1cccc2cccnc21)c1cccc(-c2nn[n-]n2)c1 ZINC001602908150 1096397892 /nfs/dbraw/zinc/39/78/92/1096397892.db2.gz NDYIMTHUULMGNV-UHFFFAOYSA-N -1 3 343.394 2.929 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001603034518 1096422326 /nfs/dbraw/zinc/42/23/26/1096422326.db2.gz GQUIQLNZJZLFQW-UHFFFAOYSA-N -1 3 331.351 2.883 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001603034518 1096422328 /nfs/dbraw/zinc/42/23/28/1096422328.db2.gz GQUIQLNZJZLFQW-UHFFFAOYSA-N -1 3 331.351 2.883 20 30 EFEDHM CC(C)(C)c1csc(NC(=O)N2CC(CC#N)C2)c1-c1nnn[n-]1 ZINC001603122410 1096452046 /nfs/dbraw/zinc/45/20/46/1096452046.db2.gz KGHXDZNKFXDOQD-UHFFFAOYSA-N -1 3 345.432 2.603 20 30 EFEDHM CC(C)(C)c1csc(NC(=O)N2CC(CC#N)C2)c1-c1nn[n-]n1 ZINC001603122410 1096452050 /nfs/dbraw/zinc/45/20/50/1096452050.db2.gz KGHXDZNKFXDOQD-UHFFFAOYSA-N -1 3 345.432 2.603 20 30 EFEDHM CC(C)(C)OC(=O)C1(CCN2CCC(C#N)(C(=O)[O-])CC2)CCC1 ZINC001603357943 1096513524 /nfs/dbraw/zinc/51/35/24/1096513524.db2.gz BCHISPNZAYUAEF-UHFFFAOYSA-N -1 3 336.432 2.579 20 30 EFEDHM CC(C)n1cc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001603429449 1096525148 /nfs/dbraw/zinc/52/51/48/1096525148.db2.gz XYEPOWMIXVBEQB-SREVYHEPSA-N -1 3 326.335 2.679 20 30 EFEDHM CC(C)n1cc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001603429449 1096525154 /nfs/dbraw/zinc/52/51/54/1096525154.db2.gz XYEPOWMIXVBEQB-SREVYHEPSA-N -1 3 326.335 2.679 20 30 EFEDHM CC(C)n1nccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC001603435557 1096526954 /nfs/dbraw/zinc/52/69/54/1096526954.db2.gz AHXKGAADZFAXMB-JLHYYAGUSA-N -1 3 334.383 2.857 20 30 EFEDHM CC(C)n1nccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC001603435557 1096526963 /nfs/dbraw/zinc/52/69/63/1096526963.db2.gz AHXKGAADZFAXMB-JLHYYAGUSA-N -1 3 334.383 2.857 20 30 EFEDHM C[C@H](Nc1cc(C#N)nc(C2CC2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001603679100 1096587787 /nfs/dbraw/zinc/58/77/87/1096587787.db2.gz OUVVYVVVOWXRFY-JTQLQIEISA-N -1 3 332.371 2.579 20 30 EFEDHM C[C@H](Nc1cc(C#N)nc(C2CC2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001603679100 1096587793 /nfs/dbraw/zinc/58/77/93/1096587793.db2.gz OUVVYVVVOWXRFY-JTQLQIEISA-N -1 3 332.371 2.579 20 30 EFEDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001603684038 1096589459 /nfs/dbraw/zinc/58/94/59/1096589459.db2.gz SONXNBOMSVXMLL-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001603684038 1096589462 /nfs/dbraw/zinc/58/94/62/1096589462.db2.gz SONXNBOMSVXMLL-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](OC(=O)c1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001603702078 1096594146 /nfs/dbraw/zinc/59/41/46/1096594146.db2.gz OYITTYWPAMKICO-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](OC(=O)c1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001603702078 1096594154 /nfs/dbraw/zinc/59/41/54/1096594154.db2.gz OYITTYWPAMKICO-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@]1(C#N)CCN(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1 ZINC001603737982 1096609002 /nfs/dbraw/zinc/60/90/02/1096609002.db2.gz XCHYHYXAKFQUHC-QGZVFWFLSA-N -1 3 337.387 2.512 20 30 EFEDHM C[C@]1(C#N)CCN(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1 ZINC001603737982 1096609007 /nfs/dbraw/zinc/60/90/07/1096609007.db2.gz XCHYHYXAKFQUHC-QGZVFWFLSA-N -1 3 337.387 2.512 20 30 EFEDHM CC1(C)C[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)C(C)(C)O1 ZINC001603762136 1096617295 /nfs/dbraw/zinc/61/72/95/1096617295.db2.gz BIUQXPXIXJCCEO-LBPRGKRZSA-N -1 3 326.404 2.744 20 30 EFEDHM CC1(C)C[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)C(C)(C)O1 ZINC001603762136 1096617301 /nfs/dbraw/zinc/61/73/01/1096617301.db2.gz BIUQXPXIXJCCEO-LBPRGKRZSA-N -1 3 326.404 2.744 20 30 EFEDHM CC1(C)CCCN(CCCOc2cccc(-c3nnn[n-]3)c2)[C@H]1C#N ZINC001603777915 1096624991 /nfs/dbraw/zinc/62/49/91/1096624991.db2.gz XPLSPDGCXDMXKQ-INIZCTEOSA-N -1 3 340.431 2.650 20 30 EFEDHM CC1(C)CCCN(CCCOc2cccc(-c3nn[n-]n3)c2)[C@H]1C#N ZINC001603777915 1096624993 /nfs/dbraw/zinc/62/49/93/1096624993.db2.gz XPLSPDGCXDMXKQ-INIZCTEOSA-N -1 3 340.431 2.650 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001604024912 1096702585 /nfs/dbraw/zinc/70/25/85/1096702585.db2.gz JNTJNJHLPKPDOW-UHFFFAOYSA-N -1 3 340.431 2.967 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001604024912 1096702590 /nfs/dbraw/zinc/70/25/90/1096702590.db2.gz JNTJNJHLPKPDOW-UHFFFAOYSA-N -1 3 340.431 2.967 20 30 EFEDHM CCC(CC)CN(CCC#N)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001604025790 1096703213 /nfs/dbraw/zinc/70/32/13/1096703213.db2.gz NWTZEPBOLMOKOW-QGZVFWFLSA-N -1 3 342.447 2.552 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001604125877 1096744930 /nfs/dbraw/zinc/74/49/30/1096744930.db2.gz IUHPYFUAIBOQBW-UHFFFAOYSA-N -1 3 330.367 2.598 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001604125877 1096744935 /nfs/dbraw/zinc/74/49/35/1096744935.db2.gz IUHPYFUAIBOQBW-UHFFFAOYSA-N -1 3 330.367 2.598 20 30 EFEDHM CCCCCCCC(=O)N(C)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001604175639 1096761901 /nfs/dbraw/zinc/76/19/01/1096761901.db2.gz KQQDZTFSDPPIDH-MRXNPFEDSA-N -1 3 345.447 2.719 20 30 EFEDHM CCCCCCCC(=O)N(C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001604175639 1096761903 /nfs/dbraw/zinc/76/19/03/1096761903.db2.gz KQQDZTFSDPPIDH-MRXNPFEDSA-N -1 3 345.447 2.719 20 30 EFEDHM CCCCCCCS(=O)(=O)Oc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001604176640 1096762384 /nfs/dbraw/zinc/76/23/84/1096762384.db2.gz URXVDBMTFJFGED-UHFFFAOYSA-N -1 3 342.396 2.685 20 30 EFEDHM CCCCCCCS(=O)(=O)Oc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001604176640 1096762388 /nfs/dbraw/zinc/76/23/88/1096762388.db2.gz URXVDBMTFJFGED-UHFFFAOYSA-N -1 3 342.396 2.685 20 30 EFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C)c(C#N)c1 ZINC001604457823 1096864849 /nfs/dbraw/zinc/86/48/49/1096864849.db2.gz ZFUOKSLMRSLNJM-UHFFFAOYSA-N -1 3 348.366 2.698 20 30 EFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C)c(C#N)c1 ZINC001604457823 1096864855 /nfs/dbraw/zinc/86/48/55/1096864855.db2.gz ZFUOKSLMRSLNJM-UHFFFAOYSA-N -1 3 348.366 2.698 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)s1 ZINC001604511165 1096886407 /nfs/dbraw/zinc/88/64/07/1096886407.db2.gz UGVLHIFALXGKQW-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)s1 ZINC001604511165 1096886409 /nfs/dbraw/zinc/88/64/09/1096886409.db2.gz UGVLHIFALXGKQW-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604657806 1096926186 /nfs/dbraw/zinc/92/61/86/1096926186.db2.gz DYJUDJSZYCEBQI-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(C#N)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604657806 1096926188 /nfs/dbraw/zinc/92/61/88/1096926188.db2.gz DYJUDJSZYCEBQI-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(c1cc(Br)ccc1-c1nnn[n-]1)[C@H]1CCC[C@@H]1C#N ZINC001604828482 1096967303 /nfs/dbraw/zinc/96/73/03/1096967303.db2.gz PYPLUTDFSAFCMV-SKDRFNHKSA-N -1 3 347.220 2.758 20 30 EFEDHM CN(c1cc(Br)ccc1-c1nn[n-]n1)[C@H]1CCC[C@@H]1C#N ZINC001604828482 1096967309 /nfs/dbraw/zinc/96/73/09/1096967309.db2.gz PYPLUTDFSAFCMV-SKDRFNHKSA-N -1 3 347.220 2.758 20 30 EFEDHM CN(c1cc(Br)ccc1-c1nnn[n-]1)[C@@H]1CCC[C@@H]1C#N ZINC001604828479 1096967836 /nfs/dbraw/zinc/96/78/36/1096967836.db2.gz PYPLUTDFSAFCMV-BXKDBHETSA-N -1 3 347.220 2.758 20 30 EFEDHM CN(c1cc(Br)ccc1-c1nn[n-]n1)[C@@H]1CCC[C@@H]1C#N ZINC001604828479 1096967841 /nfs/dbraw/zinc/96/78/41/1096967841.db2.gz PYPLUTDFSAFCMV-BXKDBHETSA-N -1 3 347.220 2.758 20 30 EFEDHM CN1CCCc2cc(CNc3c(C#N)cccc3-c3nnn[n-]3)ccc21 ZINC001604862547 1096971301 /nfs/dbraw/zinc/97/13/01/1096971301.db2.gz KTTOTIOECNCSCW-UHFFFAOYSA-N -1 3 345.410 2.733 20 30 EFEDHM CN1CCCc2cc(CNc3c(C#N)cccc3-c3nn[n-]n3)ccc21 ZINC001604862547 1096971306 /nfs/dbraw/zinc/97/13/06/1096971306.db2.gz KTTOTIOECNCSCW-UHFFFAOYSA-N -1 3 345.410 2.733 20 30 EFEDHM COC(=O)CC(C)(C)CC(C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001604927348 1096983416 /nfs/dbraw/zinc/98/34/16/1096983416.db2.gz JRQQXMPYRQGAGG-UHFFFAOYSA-N -1 3 330.392 2.634 20 30 EFEDHM COC(=O)CC(C)(C)CC(C)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001604927348 1096983420 /nfs/dbraw/zinc/98/34/20/1096983420.db2.gz JRQQXMPYRQGAGG-UHFFFAOYSA-N -1 3 330.392 2.634 20 30 EFEDHM COCc1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)ccc1F ZINC001605132763 1097030218 /nfs/dbraw/zinc/03/02/18/1097030218.db2.gz KVMODNHFSJZUTA-UHFFFAOYSA-N -1 3 338.346 2.636 20 30 EFEDHM COCc1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)ccc1F ZINC001605132763 1097030225 /nfs/dbraw/zinc/03/02/25/1097030225.db2.gz KVMODNHFSJZUTA-UHFFFAOYSA-N -1 3 338.346 2.636 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1C#N ZINC001605206135 1097051617 /nfs/dbraw/zinc/05/16/17/1097051617.db2.gz RRTKPIVVTKHSDN-XVNBXDOJSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1C#N ZINC001605206135 1097051622 /nfs/dbraw/zinc/05/16/22/1097051622.db2.gz RRTKPIVVTKHSDN-XVNBXDOJSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(Oc2ncc(C#N)cc2Cl)ccc1-c1nnn[n-]1 ZINC001605239041 1097064713 /nfs/dbraw/zinc/06/47/13/1097064713.db2.gz SLGMVYUKNQNRMP-UHFFFAOYSA-N -1 3 328.719 2.588 20 30 EFEDHM COc1cc(Oc2ncc(C#N)cc2Cl)ccc1-c1nn[n-]n1 ZINC001605239041 1097064718 /nfs/dbraw/zinc/06/47/18/1097064718.db2.gz SLGMVYUKNQNRMP-UHFFFAOYSA-N -1 3 328.719 2.588 20 30 EFEDHM COc1ccc(C=C2Oc3cc(F)ccc3C2=O)cc1-c1nnn[n-]1 ZINC001605270634 1097076128 /nfs/dbraw/zinc/07/61/28/1097076128.db2.gz YNIWGILZDZFAEZ-CHHVJCJISA-N -1 3 338.298 2.631 20 30 EFEDHM COc1ccc(C=C2Oc3cc(F)ccc3C2=O)cc1-c1nn[n-]n1 ZINC001605270634 1097076132 /nfs/dbraw/zinc/07/61/32/1097076132.db2.gz YNIWGILZDZFAEZ-CHHVJCJISA-N -1 3 338.298 2.631 20 30 EFEDHM CSCC1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001605377652 1097109770 /nfs/dbraw/zinc/10/97/70/1097109770.db2.gz SDUDNAGJOPPEOW-UHFFFAOYSA-N -1 3 330.461 2.866 20 30 EFEDHM CSCC1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001605377652 1097109777 /nfs/dbraw/zinc/10/97/77/1097109777.db2.gz SDUDNAGJOPPEOW-UHFFFAOYSA-N -1 3 330.461 2.866 20 30 EFEDHM CSc1ccc(CNc2nc(C)ccc2-c2nnn[n-]2)cc1C#N ZINC001605388156 1097113877 /nfs/dbraw/zinc/11/38/77/1097113877.db2.gz XRTZNQJKJADUQC-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM CSc1ccc(CNc2nc(C)ccc2-c2nn[n-]n2)cc1C#N ZINC001605388156 1097113879 /nfs/dbraw/zinc/11/38/79/1097113879.db2.gz XRTZNQJKJADUQC-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM Cc1c(Cl)cnc(N(C)Cc2cc(C#N)cs2)c1-c1nnn[n-]1 ZINC001605489577 1097136305 /nfs/dbraw/zinc/13/63/05/1097136305.db2.gz HKRYWCUAKFBXOH-UHFFFAOYSA-N -1 3 345.819 2.793 20 30 EFEDHM Cc1c(Cl)cnc(N(C)Cc2cc(C#N)cs2)c1-c1nn[n-]n1 ZINC001605489577 1097136308 /nfs/dbraw/zinc/13/63/08/1097136308.db2.gz HKRYWCUAKFBXOH-UHFFFAOYSA-N -1 3 345.819 2.793 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001605512495 1097141728 /nfs/dbraw/zinc/14/17/28/1097141728.db2.gz JWWBSLSMDPJAEL-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC001605512495 1097141730 /nfs/dbraw/zinc/14/17/30/1097141730.db2.gz JWWBSLSMDPJAEL-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001605513429 1097142903 /nfs/dbraw/zinc/14/29/03/1097142903.db2.gz LUXKWXCBXDRYRT-TZMCWYRMSA-N -1 3 325.372 2.723 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001605513429 1097142906 /nfs/dbraw/zinc/14/29/06/1097142906.db2.gz LUXKWXCBXDRYRT-TZMCWYRMSA-N -1 3 325.372 2.723 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(NCc2ccc(C3(C#N)CC3)cc2)n1 ZINC001605534414 1097150685 /nfs/dbraw/zinc/15/06/85/1097150685.db2.gz DGNYIYVDTSMZDW-UHFFFAOYSA-N -1 3 331.383 2.737 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(NCc2ccc(C3(C#N)CC3)cc2)n1 ZINC001605534414 1097150688 /nfs/dbraw/zinc/15/06/88/1097150688.db2.gz DGNYIYVDTSMZDW-UHFFFAOYSA-N -1 3 331.383 2.737 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1N1CCc2c(CC#N)cccc2C1 ZINC001605542299 1097154486 /nfs/dbraw/zinc/15/44/86/1097154486.db2.gz XBDRNJCERKWLGW-UHFFFAOYSA-N -1 3 330.395 2.804 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001605588848 1097164011 /nfs/dbraw/zinc/16/40/11/1097164011.db2.gz KSASZAYNTPSAFJ-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001605588848 1097164015 /nfs/dbraw/zinc/16/40/15/1097164015.db2.gz KSASZAYNTPSAFJ-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001605588934 1097164292 /nfs/dbraw/zinc/16/42/92/1097164292.db2.gz OYEDYSUFUYGSLL-UHFFFAOYSA-N -1 3 338.396 2.598 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001605588934 1097164295 /nfs/dbraw/zinc/16/42/95/1097164295.db2.gz OYEDYSUFUYGSLL-UHFFFAOYSA-N -1 3 338.396 2.598 20 30 EFEDHM Cc1cc(COC(=O)[C@@]2(C#N)CC23CCCC3)ccc1-c1nnn[n-]1 ZINC001605663066 1097183069 /nfs/dbraw/zinc/18/30/69/1097183069.db2.gz KKDMKGUJQZUSGE-SFHVURJKSA-N -1 3 337.383 2.692 20 30 EFEDHM Cc1cc(COC(=O)[C@@]2(C#N)CC23CCCC3)ccc1-c1nn[n-]n1 ZINC001605663066 1097183073 /nfs/dbraw/zinc/18/30/73/1097183073.db2.gz KKDMKGUJQZUSGE-SFHVURJKSA-N -1 3 337.383 2.692 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001605678672 1097192634 /nfs/dbraw/zinc/19/26/34/1097192634.db2.gz WTOCVELUUZXUFU-QWRGUYRKSA-N -1 3 343.366 2.518 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC001605678672 1097192635 /nfs/dbraw/zinc/19/26/35/1097192635.db2.gz WTOCVELUUZXUFU-QWRGUYRKSA-N -1 3 343.366 2.518 20 30 EFEDHM Cc1cc(F)cc2c1CN(c1c(C#N)cccc1-c1nnn[n-]1)CC2 ZINC001605681834 1097192713 /nfs/dbraw/zinc/19/27/13/1097192713.db2.gz CAAMRLRLGRSVLR-UHFFFAOYSA-N -1 3 334.358 2.749 20 30 EFEDHM Cc1cc(F)cc2c1CN(c1c(C#N)cccc1-c1nn[n-]n1)CC2 ZINC001605681834 1097192714 /nfs/dbraw/zinc/19/27/14/1097192714.db2.gz CAAMRLRLGRSVLR-UHFFFAOYSA-N -1 3 334.358 2.749 20 30 EFEDHM Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ncc1-c1nnn[n-]1 ZINC001605706259 1097200955 /nfs/dbraw/zinc/20/09/55/1097200955.db2.gz UDRAAYOBMJZTTP-CQSZACIVSA-N -1 3 347.382 2.596 20 30 EFEDHM Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)ncc1-c1nn[n-]n1 ZINC001605706259 1097200957 /nfs/dbraw/zinc/20/09/57/1097200957.db2.gz UDRAAYOBMJZTTP-CQSZACIVSA-N -1 3 347.382 2.596 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001605745569 1097213720 /nfs/dbraw/zinc/21/37/20/1097213720.db2.gz FYJINFMQMSOTPZ-UHFFFAOYSA-N -1 3 337.339 2.784 20 30 EFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001605806174 1097234152 /nfs/dbraw/zinc/23/41/52/1097234152.db2.gz WXBQVKQTHVXTMM-WEVVVXLNSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001605806174 1097234156 /nfs/dbraw/zinc/23/41/56/1097234156.db2.gz WXBQVKQTHVXTMM-WEVVVXLNSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001605943253 1097282458 /nfs/dbraw/zinc/28/24/58/1097282458.db2.gz OYTMDOLRNSZUFU-DLBZAZTESA-N -1 3 344.378 2.789 20 30 EFEDHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001605943253 1097282465 /nfs/dbraw/zinc/28/24/65/1097282465.db2.gz OYTMDOLRNSZUFU-DLBZAZTESA-N -1 3 344.378 2.789 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NN=Cc1cscn1 ZINC001606291935 1097362527 /nfs/dbraw/zinc/36/25/27/1097362527.db2.gz JBOXVLFMHMGVJW-UHFFFAOYSA-N -1 3 339.306 2.788 20 30 EFEDHM Fc1cc(-c2nnn[n-]2)cc(F)c1C=NNCc1ccccc1Cl ZINC001606307094 1097369848 /nfs/dbraw/zinc/36/98/48/1097369848.db2.gz RIXALIWHUQVHDR-UHFFFAOYSA-N -1 3 348.744 2.922 20 30 EFEDHM Fc1cc(-c2nn[n-]n2)cc(F)c1C=NNCc1ccccc1Cl ZINC001606307094 1097369853 /nfs/dbraw/zinc/36/98/53/1097369853.db2.gz RIXALIWHUQVHDR-UHFFFAOYSA-N -1 3 348.744 2.922 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cn1 ZINC001606340308 1097387530 /nfs/dbraw/zinc/38/75/30/1097387530.db2.gz JKJFXNGWWGPCQO-MSOLQXFVSA-N -1 3 345.410 2.533 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cn1 ZINC001606340308 1097387533 /nfs/dbraw/zinc/38/75/33/1097387533.db2.gz JKJFXNGWWGPCQO-MSOLQXFVSA-N -1 3 345.410 2.533 20 30 EFEDHM N#CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC001606340556 1097388900 /nfs/dbraw/zinc/38/89/00/1097388900.db2.gz TZRVCUQTAZEKAW-UHFFFAOYSA-N -1 3 328.351 2.808 20 30 EFEDHM N#CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CCCCC1 ZINC001606340556 1097388903 /nfs/dbraw/zinc/38/89/03/1097388903.db2.gz TZRVCUQTAZEKAW-UHFFFAOYSA-N -1 3 328.351 2.808 20 30 EFEDHM N#CC1(CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)CC1 ZINC001606340364 1097388932 /nfs/dbraw/zinc/38/89/32/1097388932.db2.gz MFQSDXSXBOUCMB-UHFFFAOYSA-N -1 3 348.366 2.687 20 30 EFEDHM N#CC1(CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)CC1 ZINC001606340364 1097388936 /nfs/dbraw/zinc/38/89/36/1097388936.db2.gz MFQSDXSXBOUCMB-UHFFFAOYSA-N -1 3 348.366 2.687 20 30 EFEDHM N#CCC(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001606344873 1097389996 /nfs/dbraw/zinc/38/99/96/1097389996.db2.gz AFUYYHXLTDQTSP-UHFFFAOYSA-N -1 3 336.380 2.870 20 30 EFEDHM N#CCC(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001606344873 1097389999 /nfs/dbraw/zinc/38/99/99/1097389999.db2.gz AFUYYHXLTDQTSP-UHFFFAOYSA-N -1 3 336.380 2.870 20 30 EFEDHM N#CCOc1cccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1 ZINC001606350749 1097391042 /nfs/dbraw/zinc/39/10/42/1097391042.db2.gz CCALOPXNEHTSSP-NVNXTCNLSA-N -1 3 343.346 2.591 20 30 EFEDHM N#CCOc1cccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1 ZINC001606350749 1097391046 /nfs/dbraw/zinc/39/10/46/1097391046.db2.gz CCALOPXNEHTSSP-NVNXTCNLSA-N -1 3 343.346 2.591 20 30 EFEDHM N#CCc1cccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001606351671 1097391509 /nfs/dbraw/zinc/39/15/09/1097391509.db2.gz PIKZFDMIGZBTLE-MRXNPFEDSA-N -1 3 331.383 2.817 20 30 EFEDHM N#CCc1cccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001606351671 1097391512 /nfs/dbraw/zinc/39/15/12/1097391512.db2.gz PIKZFDMIGZBTLE-MRXNPFEDSA-N -1 3 331.383 2.817 20 30 EFEDHM N#CCCN(C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001606348349 1097391586 /nfs/dbraw/zinc/39/15/86/1097391586.db2.gz SYPPYAKKQKPVJW-UHFFFAOYSA-N -1 3 336.330 2.566 20 30 EFEDHM N#CCCN(C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001606348349 1097391593 /nfs/dbraw/zinc/39/15/93/1097391593.db2.gz SYPPYAKKQKPVJW-UHFFFAOYSA-N -1 3 336.330 2.566 20 30 EFEDHM N#CCc1cccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001606351667 1097391605 /nfs/dbraw/zinc/39/16/05/1097391605.db2.gz PIKZFDMIGZBTLE-INIZCTEOSA-N -1 3 331.383 2.817 20 30 EFEDHM N#CCc1cccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001606351667 1097391610 /nfs/dbraw/zinc/39/16/10/1097391610.db2.gz PIKZFDMIGZBTLE-INIZCTEOSA-N -1 3 331.383 2.817 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc(Cl)s2)nc1N ZINC001606360646 1097392092 /nfs/dbraw/zinc/39/20/92/1097392092.db2.gz YWBUPFZBQPMFJM-UHFFFAOYSA-N -1 3 349.832 2.723 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc(Cl)s2)nc1N ZINC001606360646 1097392098 /nfs/dbraw/zinc/39/20/98/1097392098.db2.gz YWBUPFZBQPMFJM-UHFFFAOYSA-N -1 3 349.832 2.723 20 30 EFEDHM N#Cc1c(F)cccc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001606356145 1097392264 /nfs/dbraw/zinc/39/22/64/1097392264.db2.gz KXDXMMGYGWBDRB-AWNIVKPZSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1c(F)cccc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001606356145 1097392269 /nfs/dbraw/zinc/39/22/69/1097392269.db2.gz KXDXMMGYGWBDRB-AWNIVKPZSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc(C3CC3)c2)ccc1-c1nnn[n-]1 ZINC001606361220 1097392307 /nfs/dbraw/zinc/39/23/07/1097392307.db2.gz IVGYLJLESSIXAS-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc(C3CC3)c2)ccc1-c1nn[n-]n1 ZINC001606361220 1097392311 /nfs/dbraw/zinc/39/23/11/1097392311.db2.gz IVGYLJLESSIXAS-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cc(NC(=O)C(C2CCC2)C2CCC2)ccc1-c1nnn[n-]1 ZINC001606361221 1097392471 /nfs/dbraw/zinc/39/24/71/1097392471.db2.gz IVPDZJANIQOZAJ-UHFFFAOYSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(NC(=O)C(C2CCC2)C2CCC2)ccc1-c1nn[n-]n1 ZINC001606361221 1097392473 /nfs/dbraw/zinc/39/24/73/1097392473.db2.gz IVPDZJANIQOZAJ-UHFFFAOYSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001606361833 1097392556 /nfs/dbraw/zinc/39/25/56/1097392556.db2.gz NBLQHHDGPAKRPQ-LSDHHAIUSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001606361833 1097392560 /nfs/dbraw/zinc/39/25/60/1097392560.db2.gz NBLQHHDGPAKRPQ-LSDHHAIUSA-N -1 3 348.341 2.620 20 30 EFEDHM N#C[C@@H]1CN(Cc2ccc(F)cc2-c2nnn[n-]2)C[C@H]1c1ccccc1 ZINC001606354237 1097392760 /nfs/dbraw/zinc/39/27/60/1097392760.db2.gz DAUNYXLPAWBYIP-QAPCUYQASA-N -1 3 348.385 2.745 20 30 EFEDHM N#C[C@@H]1CN(Cc2ccc(F)cc2-c2nn[n-]n2)C[C@H]1c1ccccc1 ZINC001606354237 1097392766 /nfs/dbraw/zinc/39/27/66/1097392766.db2.gz DAUNYXLPAWBYIP-QAPCUYQASA-N -1 3 348.385 2.745 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)s1 ZINC001606368033 1097393565 /nfs/dbraw/zinc/39/35/65/1097393565.db2.gz WOIALZWRZCNYMW-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)s1 ZINC001606368033 1097393570 /nfs/dbraw/zinc/39/35/70/1097393570.db2.gz WOIALZWRZCNYMW-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1Cl ZINC001606367299 1097394466 /nfs/dbraw/zinc/39/44/66/1097394466.db2.gz BFUZHNFPQNYQSS-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1Cl ZINC001606367299 1097394471 /nfs/dbraw/zinc/39/44/71/1097394471.db2.gz BFUZHNFPQNYQSS-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccccc1-c1ncc[nH]1 ZINC001606379682 1097395344 /nfs/dbraw/zinc/39/53/44/1097395344.db2.gz INHQIBFQSCBSAD-UHFFFAOYSA-N -1 3 342.366 2.741 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccccc1-c1ncc[nH]1 ZINC001606379682 1097395349 /nfs/dbraw/zinc/39/53/49/1097395349.db2.gz INHQIBFQSCBSAD-UHFFFAOYSA-N -1 3 342.366 2.741 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCc2ccccc2N1 ZINC001606379501 1097395651 /nfs/dbraw/zinc/39/56/51/1097395651.db2.gz BHEVCONQTOSQSR-CQSZACIVSA-N -1 3 331.383 2.577 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCc2ccccc2N1 ZINC001606379501 1097395654 /nfs/dbraw/zinc/39/56/54/1097395654.db2.gz BHEVCONQTOSQSR-CQSZACIVSA-N -1 3 331.383 2.577 20 30 EFEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001606385083 1097396710 /nfs/dbraw/zinc/39/67/10/1097396710.db2.gz OLQHOWXPEYYKKK-UONOGXRCSA-N -1 3 349.325 2.587 20 30 EFEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001606385083 1097396716 /nfs/dbraw/zinc/39/67/16/1097396716.db2.gz OLQHOWXPEYYKKK-UONOGXRCSA-N -1 3 349.325 2.587 20 30 EFEDHM N#Cc1cccc2c1CCCN2CCOc1ccccc1-c1nnn[n-]1 ZINC001606384694 1097396940 /nfs/dbraw/zinc/39/69/40/1097396940.db2.gz BSHCSYCYGXGVDR-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc2c1CCCN2CCOc1ccccc1-c1nn[n-]n1 ZINC001606384694 1097396947 /nfs/dbraw/zinc/39/69/47/1097396947.db2.gz BSHCSYCYGXGVDR-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCO[C@@H](c2ccccc2)CC1 ZINC001606380060 1097397137 /nfs/dbraw/zinc/39/71/37/1097397137.db2.gz QACOTYHQUOUIBC-QGZVFWFLSA-N -1 3 346.394 2.706 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCO[C@@H](c2ccccc2)CC1 ZINC001606380060 1097397141 /nfs/dbraw/zinc/39/71/41/1097397141.db2.gz QACOTYHQUOUIBC-QGZVFWFLSA-N -1 3 346.394 2.706 20 30 EFEDHM N#Cc1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001606388925 1097398501 /nfs/dbraw/zinc/39/85/01/1097398501.db2.gz HLGHUMWWIADODM-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001606388925 1097398507 /nfs/dbraw/zinc/39/85/07/1097398507.db2.gz HLGHUMWWIADODM-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM O=C1c2ccc(F)cc2OC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001607037382 1097501762 /nfs/dbraw/zinc/50/17/62/1097501762.db2.gz ZAHWHBAOCFSQDB-MKMNVTDBSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1c2ccc(F)cc2OC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001607037382 1097501771 /nfs/dbraw/zinc/50/17/71/1097501771.db2.gz ZAHWHBAOCFSQDB-MKMNVTDBSA-N -1 3 326.262 2.761 20 30 EFEDHM COc1cc(CNCc2cc(C(=O)[O-])c3n2CCCC3)ccc1C#N ZINC001607164256 1097548636 /nfs/dbraw/zinc/54/86/36/1097548636.db2.gz STMRWYLIDWNKTG-UHFFFAOYSA-N -1 3 339.395 2.693 20 30 EFEDHM Cn1c(C(=O)[O-])ccc1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC001608078840 1097826984 /nfs/dbraw/zinc/82/69/84/1097826984.db2.gz KSBAVPGOUROABZ-SECBINFHSA-N -1 3 343.339 2.962 20 30 EFEDHM N#Cc1c(CN2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cccc1C(=O)[O-] ZINC001608191192 1097855887 /nfs/dbraw/zinc/85/58/87/1097855887.db2.gz IMRQJUAFDICLQI-CGTJXYLNSA-N -1 3 328.412 2.772 20 30 EFEDHM N#Cc1ccc(OCCN2CCC(c3cc(C(=O)[O-])on3)CC2)cc1 ZINC001608210746 1097864229 /nfs/dbraw/zinc/86/42/29/1097864229.db2.gz WSEMABBTGWITJG-UHFFFAOYSA-N -1 3 341.367 2.503 20 30 EFEDHM C#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001609019309 1098112587 /nfs/dbraw/zinc/11/25/87/1098112587.db2.gz QYCMGEARAWFASS-LBPRGKRZSA-N -1 3 343.799 2.686 20 30 EFEDHM C#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001609019309 1098112591 /nfs/dbraw/zinc/11/25/91/1098112591.db2.gz QYCMGEARAWFASS-LBPRGKRZSA-N -1 3 343.799 2.686 20 30 EFEDHM C#CC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC001609020188 1098112974 /nfs/dbraw/zinc/11/29/74/1098112974.db2.gz UJQSXPKGQYPCRJ-KRWDZBQOSA-N -1 3 331.379 2.670 20 30 EFEDHM C#CC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC001609020188 1098112976 /nfs/dbraw/zinc/11/29/76/1098112976.db2.gz UJQSXPKGQYPCRJ-KRWDZBQOSA-N -1 3 331.379 2.670 20 30 EFEDHM C#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001609020491 1098113213 /nfs/dbraw/zinc/11/32/13/1098113213.db2.gz JUARAHUGDUXMJP-UHFFFAOYSA-N -1 3 334.383 2.937 20 30 EFEDHM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001609020491 1098113216 /nfs/dbraw/zinc/11/32/16/1098113216.db2.gz JUARAHUGDUXMJP-UHFFFAOYSA-N -1 3 334.383 2.937 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001609050817 1098121517 /nfs/dbraw/zinc/12/15/17/1098121517.db2.gz CVIWJKLMDVPLED-SJKOYZFVSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001609050817 1098121521 /nfs/dbraw/zinc/12/15/21/1098121521.db2.gz CVIWJKLMDVPLED-SJKOYZFVSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)COCCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001609051587 1098122113 /nfs/dbraw/zinc/12/21/13/1098122113.db2.gz ITDHVCRXZBBGPM-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=C(C)COCCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609051587 1098122114 /nfs/dbraw/zinc/12/21/14/1098122114.db2.gz ITDHVCRXZBBGPM-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=CCC[C@H](CO)Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001609054112 1098122712 /nfs/dbraw/zinc/12/27/12/1098122712.db2.gz ZGPYZSPXPHXUMN-SNVBAGLBSA-N -1 3 327.310 2.625 20 30 EFEDHM C=CCC[C@H](CO)Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609054112 1098122716 /nfs/dbraw/zinc/12/27/16/1098122716.db2.gz ZGPYZSPXPHXUMN-SNVBAGLBSA-N -1 3 327.310 2.625 20 30 EFEDHM C=CCC(C)(C)COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001609052988 1098122741 /nfs/dbraw/zinc/12/27/41/1098122741.db2.gz XYLOHQWOKNSMTA-LBPRGKRZSA-N -1 3 330.388 2.780 20 30 EFEDHM C=CCC(C)(C)COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001609052988 1098122745 /nfs/dbraw/zinc/12/27/45/1098122745.db2.gz XYLOHQWOKNSMTA-LBPRGKRZSA-N -1 3 330.388 2.780 20 30 EFEDHM C=CCCCCCOC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001609053350 1098122970 /nfs/dbraw/zinc/12/29/70/1098122970.db2.gz GJPXWMUDVMIFHR-ZDUSSCGKSA-N -1 3 330.388 2.924 20 30 EFEDHM C=CCCCCCOC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001609053350 1098122972 /nfs/dbraw/zinc/12/29/72/1098122972.db2.gz GJPXWMUDVMIFHR-ZDUSSCGKSA-N -1 3 330.388 2.924 20 30 EFEDHM C=CCCCCCCCCNC(=O)c1cnccc1-c1nnn[n-]1 ZINC001609053311 1098123072 /nfs/dbraw/zinc/12/30/72/1098123072.db2.gz FYJDYYNHWVZYHJ-UHFFFAOYSA-N -1 3 328.420 2.908 20 30 EFEDHM C=CCCCCCCCCNC(=O)c1cnccc1-c1nn[n-]n1 ZINC001609053311 1098123074 /nfs/dbraw/zinc/12/30/74/1098123074.db2.gz FYJDYYNHWVZYHJ-UHFFFAOYSA-N -1 3 328.420 2.908 20 30 EFEDHM C=CCCCNc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001609054613 1098123235 /nfs/dbraw/zinc/12/32/35/1098123235.db2.gz DEPRSDJDYDJVRI-UHFFFAOYSA-N -1 3 340.387 2.810 20 30 EFEDHM C=CCCCNc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001609054613 1098123238 /nfs/dbraw/zinc/12/32/38/1098123238.db2.gz DEPRSDJDYDJVRI-UHFFFAOYSA-N -1 3 340.387 2.810 20 30 EFEDHM C=CCCCCCOC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001609053349 1098123274 /nfs/dbraw/zinc/12/32/74/1098123274.db2.gz GJPXWMUDVMIFHR-CYBMUJFWSA-N -1 3 330.388 2.924 20 30 EFEDHM C=CCCCCCOC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001609053349 1098123278 /nfs/dbraw/zinc/12/32/78/1098123278.db2.gz GJPXWMUDVMIFHR-CYBMUJFWSA-N -1 3 330.388 2.924 20 30 EFEDHM C=CCO[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(C)cc32)C1 ZINC001609058489 1098124375 /nfs/dbraw/zinc/12/43/75/1098124375.db2.gz BIKMTIOCYGAVRC-CYBMUJFWSA-N -1 3 336.399 2.505 20 30 EFEDHM C=CCO[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(C)cc32)C1 ZINC001609058489 1098124378 /nfs/dbraw/zinc/12/43/78/1098124378.db2.gz BIKMTIOCYGAVRC-CYBMUJFWSA-N -1 3 336.399 2.505 20 30 EFEDHM C=CCN(C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C(C)C ZINC001609056161 1098124690 /nfs/dbraw/zinc/12/46/90/1098124690.db2.gz SGVNLTFOJPXSIV-MRXNPFEDSA-N -1 3 340.431 2.850 20 30 EFEDHM C=CCN(C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C(C)C ZINC001609056161 1098124694 /nfs/dbraw/zinc/12/46/94/1098124694.db2.gz SGVNLTFOJPXSIV-MRXNPFEDSA-N -1 3 340.431 2.850 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)c1sccc1-c1nnn[n-]1 ZINC001609057362 1098124854 /nfs/dbraw/zinc/12/48/54/1098124854.db2.gz NUFNGTPASRDRIU-UHFFFAOYSA-N -1 3 331.426 2.818 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)c1sccc1-c1nn[n-]n1 ZINC001609057362 1098124857 /nfs/dbraw/zinc/12/48/57/1098124857.db2.gz NUFNGTPASRDRIU-UHFFFAOYSA-N -1 3 331.426 2.818 20 30 EFEDHM CC(=NNCc1cccc2cccnc21)c1ccccc1-c1nnn[n-]1 ZINC001609061186 1098125950 /nfs/dbraw/zinc/12/59/50/1098125950.db2.gz JZCJEQPVCMSQNB-UHFFFAOYSA-N -1 3 343.394 2.929 20 30 EFEDHM CC(=NNCc1cccc2cccnc21)c1ccccc1-c1nn[n-]n1 ZINC001609061186 1098125957 /nfs/dbraw/zinc/12/59/57/1098125957.db2.gz JZCJEQPVCMSQNB-UHFFFAOYSA-N -1 3 343.394 2.929 20 30 EFEDHM CC(N=Nc1nncc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC001609061121 1098126063 /nfs/dbraw/zinc/12/60/63/1098126063.db2.gz GGCYQFLRIPZOPU-UHFFFAOYSA-N -1 3 330.355 2.646 20 30 EFEDHM CC(N=Nc1nncc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC001609061121 1098126069 /nfs/dbraw/zinc/12/60/69/1098126069.db2.gz GGCYQFLRIPZOPU-UHFFFAOYSA-N -1 3 330.355 2.646 20 30 EFEDHM C=CCO[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001609058694 1098126334 /nfs/dbraw/zinc/12/63/34/1098126334.db2.gz OPRBWPBZDZMDIT-NSHDSACASA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCNc1nnc(SCc2ccccc2-c2nnn[n-]2)s1 ZINC001609058824 1098126681 /nfs/dbraw/zinc/12/66/81/1098126681.db2.gz XZTPLZCNGANLQB-UHFFFAOYSA-N -1 3 331.430 2.608 20 30 EFEDHM C=CCNc1nnc(SCc2ccccc2-c2nn[n-]n2)s1 ZINC001609058824 1098126684 /nfs/dbraw/zinc/12/66/84/1098126684.db2.gz XZTPLZCNGANLQB-UHFFFAOYSA-N -1 3 331.430 2.608 20 30 EFEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC001609061319 1098128072 /nfs/dbraw/zinc/12/80/72/1098128072.db2.gz WGOTZOBHRTZROF-LBPRGKRZSA-N -1 3 340.309 2.852 20 30 EFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC001609061319 1098128074 /nfs/dbraw/zinc/12/80/74/1098128074.db2.gz WGOTZOBHRTZROF-LBPRGKRZSA-N -1 3 340.309 2.852 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609072558 1098130785 /nfs/dbraw/zinc/13/07/85/1098130785.db2.gz VKXUPAKQADXUMW-UHFFFAOYSA-N -1 3 327.388 2.672 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609072558 1098130787 /nfs/dbraw/zinc/13/07/87/1098130787.db2.gz VKXUPAKQADXUMW-UHFFFAOYSA-N -1 3 327.388 2.672 20 30 EFEDHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609074799 1098133020 /nfs/dbraw/zinc/13/30/20/1098133020.db2.gz ALASOBAPMNKGBN-XJKSGUPXSA-N -1 3 340.431 2.992 20 30 EFEDHM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609074799 1098133022 /nfs/dbraw/zinc/13/30/22/1098133022.db2.gz ALASOBAPMNKGBN-XJKSGUPXSA-N -1 3 340.431 2.992 20 30 EFEDHM C#CC[C@@H](NCc1cc(Cl)ccc1OCc1cccnc1)C(=O)[O-] ZINC001609089062 1098138604 /nfs/dbraw/zinc/13/86/04/1098138604.db2.gz CNORYXVEAUGTKX-MRXNPFEDSA-N -1 3 344.798 2.880 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncccc1C#N ZINC001609095941 1098143170 /nfs/dbraw/zinc/14/31/70/1098143170.db2.gz ZRPHPZAAHNICPE-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncccc1C#N ZINC001609095941 1098143177 /nfs/dbraw/zinc/14/31/77/1098143177.db2.gz ZRPHPZAAHNICPE-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001609126024 1098158465 /nfs/dbraw/zinc/15/84/65/1098158465.db2.gz AVPURUGVFYYJJE-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001609126024 1098158466 /nfs/dbraw/zinc/15/84/66/1098158466.db2.gz AVPURUGVFYYJJE-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609130378 1098160184 /nfs/dbraw/zinc/16/01/84/1098160184.db2.gz POXDFBIULIDBAJ-XIKOKIGWSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609130378 1098160188 /nfs/dbraw/zinc/16/01/88/1098160188.db2.gz POXDFBIULIDBAJ-XIKOKIGWSA-N -1 3 337.383 2.945 20 30 EFEDHM CC[C@@H](CC#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001609187876 1098188123 /nfs/dbraw/zinc/18/81/23/1098188123.db2.gz RJJUHAVZTLSEIB-ZDUSSCGKSA-N -1 3 346.394 2.956 20 30 EFEDHM CC[C@@H](CC#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001609187876 1098188127 /nfs/dbraw/zinc/18/81/27/1098188127.db2.gz RJJUHAVZTLSEIB-ZDUSSCGKSA-N -1 3 346.394 2.956 20 30 EFEDHM CCCCCCCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609209206 1098202819 /nfs/dbraw/zinc/20/28/19/1098202819.db2.gz QVCGHUZNCKNGMM-UHFFFAOYSA-N -1 3 345.403 2.709 20 30 EFEDHM CCCCCCCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609209206 1098202825 /nfs/dbraw/zinc/20/28/25/1098202825.db2.gz QVCGHUZNCKNGMM-UHFFFAOYSA-N -1 3 345.403 2.709 20 30 EFEDHM CCOCCCN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609240442 1098218050 /nfs/dbraw/zinc/21/80/50/1098218050.db2.gz GEPNDCAOMWBXNV-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM CCOCCCN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609240442 1098218054 /nfs/dbraw/zinc/21/80/54/1098218054.db2.gz GEPNDCAOMWBXNV-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM CCc1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609252743 1098224601 /nfs/dbraw/zinc/22/46/01/1098224601.db2.gz RILRQFBLWIUTEE-INIZCTEOSA-N -1 3 346.394 2.750 20 30 EFEDHM CCc1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609252743 1098224604 /nfs/dbraw/zinc/22/46/04/1098224604.db2.gz RILRQFBLWIUTEE-INIZCTEOSA-N -1 3 346.394 2.750 20 30 EFEDHM COCC[C@H]1CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001609322554 1098248818 /nfs/dbraw/zinc/24/88/18/1098248818.db2.gz XSUQAJUMCBXNRG-SECBINFHSA-N -1 3 335.799 2.520 20 30 EFEDHM COCC[C@H]1CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001609322554 1098248822 /nfs/dbraw/zinc/24/88/22/1098248822.db2.gz XSUQAJUMCBXNRG-SECBINFHSA-N -1 3 335.799 2.520 20 30 EFEDHM COc1cc(C#N)ccc1OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001609339981 1098253826 /nfs/dbraw/zinc/25/38/26/1098253826.db2.gz YRTOAVSNLNFRDW-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C#N)ccc1OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001609339981 1098253834 /nfs/dbraw/zinc/25/38/34/1098253834.db2.gz YRTOAVSNLNFRDW-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC001609346160 1098258121 /nfs/dbraw/zinc/25/81/21/1098258121.db2.gz HGOVGFLXRMDKNB-UHFFFAOYSA-N -1 3 344.325 2.990 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC001609346160 1098258127 /nfs/dbraw/zinc/25/81/27/1098258127.db2.gz HGOVGFLXRMDKNB-UHFFFAOYSA-N -1 3 344.325 2.990 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1O ZINC001609351957 1098262350 /nfs/dbraw/zinc/26/23/50/1098262350.db2.gz GEFQVXBLZRPPOR-ARJAWSKDSA-N -1 3 328.353 2.539 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1O ZINC001609351957 1098262357 /nfs/dbraw/zinc/26/23/57/1098262357.db2.gz GEFQVXBLZRPPOR-ARJAWSKDSA-N -1 3 328.353 2.539 20 30 EFEDHM COc1ccc(C=C2CCc3ccc(O)cc3C2=O)cc1-c1nnn[n-]1 ZINC001609353686 1098262957 /nfs/dbraw/zinc/26/29/57/1098262957.db2.gz NWDLFNSQGOMCKX-JYRVWZFOSA-N -1 3 348.362 2.793 20 30 EFEDHM COc1ccc(C=C2CCc3ccc(O)cc3C2=O)cc1-c1nn[n-]n1 ZINC001609353686 1098262960 /nfs/dbraw/zinc/26/29/60/1098262960.db2.gz NWDLFNSQGOMCKX-JYRVWZFOSA-N -1 3 348.362 2.793 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cnn1C(C)C ZINC001609379330 1098274368 /nfs/dbraw/zinc/27/43/68/1098274368.db2.gz CTWNACXBDCFJJZ-FNORWQNLSA-N -1 3 340.362 2.988 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cnn1C(C)C ZINC001609379330 1098274372 /nfs/dbraw/zinc/27/43/72/1098274372.db2.gz CTWNACXBDCFJJZ-FNORWQNLSA-N -1 3 340.362 2.988 20 30 EFEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N[C@@H]3CC[C@H](C#N)C3)c2c1 ZINC001609398510 1098287308 /nfs/dbraw/zinc/28/73/08/1098287308.db2.gz ZBBDZLAPWCZFCI-QWHCGFSZSA-N -1 3 333.399 2.558 20 30 EFEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N[C@@H]3CC[C@H](C#N)C3)c2c1 ZINC001609398510 1098287313 /nfs/dbraw/zinc/28/73/13/1098287313.db2.gz ZBBDZLAPWCZFCI-QWHCGFSZSA-N -1 3 333.399 2.558 20 30 EFEDHM Cc1cc(C=NNCc2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC001609399628 1098289129 /nfs/dbraw/zinc/28/91/29/1098289129.db2.gz ILKUXMZIKCWORX-UHFFFAOYSA-N -1 3 326.791 2.952 20 30 EFEDHM Cc1cc(C=NNCc2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC001609399628 1098289135 /nfs/dbraw/zinc/28/91/35/1098289135.db2.gz ILKUXMZIKCWORX-UHFFFAOYSA-N -1 3 326.791 2.952 20 30 EFEDHM Cc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001609399720 1098289649 /nfs/dbraw/zinc/28/96/49/1098289649.db2.gz MBVFCXHLHVQFKC-VURMDHGXSA-N 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/nfs/dbraw/zinc/29/98/36/1098299836.db2.gz IOEWTPHHFAPOGQ-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC001609415750 1098299841 /nfs/dbraw/zinc/29/98/41/1098299841.db2.gz IOEWTPHHFAPOGQ-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001609417323 1098303106 /nfs/dbraw/zinc/30/31/06/1098303106.db2.gz IIXYBFLJIZKNMX-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001609417323 1098303115 /nfs/dbraw/zinc/30/31/15/1098303115.db2.gz IIXYBFLJIZKNMX-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(OCCCNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001609427385 1098314172 /nfs/dbraw/zinc/31/41/72/1098314172.db2.gz GIPUWXNJWVOEAO-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM Cc1ccc(OCCCNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001609427385 1098314178 /nfs/dbraw/zinc/31/41/78/1098314178.db2.gz GIPUWXNJWVOEAO-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1c(Cl)cccc1Cl ZINC001609446512 1098329199 /nfs/dbraw/zinc/32/91/99/1098329199.db2.gz GWFGYNRZNTZTPW-UHFFFAOYSA-N -1 3 334.170 2.598 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1c(Cl)cccc1Cl ZINC001609446512 1098329204 /nfs/dbraw/zinc/32/92/04/1098329204.db2.gz GWFGYNRZNTZTPW-UHFFFAOYSA-N -1 3 334.170 2.598 20 30 EFEDHM Clc1cccc(N=NCCCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001609473648 1098346968 /nfs/dbraw/zinc/34/69/68/1098346968.db2.gz AQAOITDIPNAMQN-UHFFFAOYSA-N -1 3 327.779 2.946 20 30 EFEDHM Clc1cccc(N=NCCCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001609473648 1098346976 /nfs/dbraw/zinc/34/69/76/1098346976.db2.gz AQAOITDIPNAMQN-UHFFFAOYSA-N -1 3 327.779 2.946 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC12CCCC2 ZINC001609493349 1098359800 /nfs/dbraw/zinc/35/98/00/1098359800.db2.gz GRVGBBWNUPHRPB-MRXNPFEDSA-N -1 3 342.790 2.933 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC12CCCC2 ZINC001609493349 1098359804 /nfs/dbraw/zinc/35/98/04/1098359804.db2.gz 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349.373 2.677 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001609493804 1098360603 /nfs/dbraw/zinc/36/06/03/1098360603.db2.gz PYCRFPQGECJIAF-HOCLYGCPSA-N -1 3 349.373 2.677 20 30 EFEDHM N#Cc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001609498704 1098362078 /nfs/dbraw/zinc/36/20/78/1098362078.db2.gz XAJXCTHVWOSJEO-FPLPWBNLSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001609498704 1098362085 /nfs/dbraw/zinc/36/20/85/1098362085.db2.gz XAJXCTHVWOSJEO-FPLPWBNLSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC001609499474 1098363559 /nfs/dbraw/zinc/36/35/59/1098363559.db2.gz RVHUABXBKZXKMU-VGOFMYFVSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC001609499474 1098363566 /nfs/dbraw/zinc/36/35/66/1098363566.db2.gz RVHUABXBKZXKMU-VGOFMYFVSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1nc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)ccc1Cl ZINC001609500895 1098363813 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CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001609649837 1098416430 /nfs/dbraw/zinc/41/64/30/1098416430.db2.gz AHXMJAGVHGTPRQ-AWEZNQCLSA-N -1 3 331.372 2.789 20 30 EFEDHM C[C@H](Oc1ccc(CNCc2cccc(OCC#N)c2)cc1)C(=O)[O-] ZINC001609802386 1098462052 /nfs/dbraw/zinc/46/20/52/1098462052.db2.gz YCTHGSMOVGUQNV-AWEZNQCLSA-N -1 3 340.379 2.731 20 30 EFEDHM COc1ccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)cc1C#N ZINC001610330676 1098624250 /nfs/dbraw/zinc/62/42/50/1098624250.db2.gz QDLFMLGSPGERHB-UHFFFAOYSA-N -1 3 340.379 2.662 20 30 EFEDHM N#CC[C@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001632705376 1100495257 /nfs/dbraw/zinc/49/52/57/1100495257.db2.gz ZXRAIHJNSBJYCO-LLVKDONJSA-N -1 3 329.787 2.947 20 30 EFEDHM CC1=C(Oc2cccc([O-])c2I)C(=O)[C@@H](C)O1 ZINC001227379393 1101470009 /nfs/dbraw/zinc/47/00/09/1101470009.db2.gz GIIKPFSEGFZOKP-ZCFIWIBFSA-N -1 3 346.120 2.595 20 30 EFEDHM C=C(C)CN1CCC2(CCN(C(=O)c3c(C)cccc3[O-])CC2)C1=O ZINC001271661782 1102226466 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CC(=O)N1CCC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000904182438 1107676697 /nfs/dbraw/zinc/67/66/97/1107676697.db2.gz DCYPIWLUPKYKNL-UHFFFAOYSA-N -1 3 345.226 2.970 20 30 EFEDHM O=C(c1ccc(N2CCOCC2)nc1)N([O-])Cc1ccccc1Cl ZINC000904187719 1107682758 /nfs/dbraw/zinc/68/27/58/1107682758.db2.gz RMFODBMQFCYIFG-UHFFFAOYSA-N -1 3 347.802 2.603 20 30 EFEDHM Cc1nc(C)c(CCC(=O)N([O-])Cc2ccccc2Cl)c(=O)[nH]1 ZINC000904187752 1107685755 /nfs/dbraw/zinc/68/57/55/1107685755.db2.gz SIKWRUWWFWBVPT-UHFFFAOYSA-N -1 3 335.791 2.803 20 30 EFEDHM CC(C)(C(=O)N([O-])Cc1cccc2ccccc21)S(=O)(=O)C1CC1 ZINC000904171191 1107687424 /nfs/dbraw/zinc/68/74/24/1107687424.db2.gz KKGNLXJONLMUPC-UHFFFAOYSA-N -1 3 347.436 2.913 20 30 EFEDHM Cc1cc(C(F)(F)F)nn1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177684 1107693836 /nfs/dbraw/zinc/69/38/36/1107693836.db2.gz LMCJLVVIWIOACU-UHFFFAOYSA-N -1 3 331.269 2.767 20 30 EFEDHM CCCCN([O-])C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000904207830 1107697769 /nfs/dbraw/zinc/69/77/69/1107697769.db2.gz DKRHCPCEDKLYLP-UHFFFAOYSA-N -1 3 340.370 2.835 20 30 EFEDHM CCCCN([O-])C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000904209235 1107699797 /nfs/dbraw/zinc/69/97/97/1107699797.db2.gz WZUOEYQDXKYDHD-UHFFFAOYSA-N -1 3 349.250 2.601 20 30 EFEDHM CCCCN([O-])C(=O)CCC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000904212915 1107736670 /nfs/dbraw/zinc/73/66/70/1107736670.db2.gz YBJJBLHNFDUNHY-UHFFFAOYSA-N -1 3 339.388 2.693 20 30 EFEDHM C[C@@H](C[C@H](C)Nc1ncc(C#N)cc1F)NC(=O)c1ccccc1[O-] ZINC001089244918 1108169620 /nfs/dbraw/zinc/16/96/20/1108169620.db2.gz SZWHMHBFJUWKHF-RYUDHWBXSA-N -1 3 342.374 2.807 20 30 EFEDHM CCN1CCC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1=O ZINC000905002322 1108319012 /nfs/dbraw/zinc/31/90/12/1108319012.db2.gz GOLZTUSEQDQEHB-GFQQVXNGSA-N -1 3 325.206 2.585 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1c(Cl)nc2ccccn21 ZINC000128095758 1108636226 /nfs/dbraw/zinc/63/62/26/1108636226.db2.gz UDHSZAYPCXVMJK-LBPRGKRZSA-N -1 3 338.754 2.949 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060059118 1108777826 /nfs/dbraw/zinc/77/78/26/1108777826.db2.gz PPEDPTIHDQMJNI-OAHLLOKOSA-N -1 3 344.455 2.963 20 30 EFEDHM Cc1ccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)nn2)cc1 ZINC000128241144 1108838219 /nfs/dbraw/zinc/83/82/19/1108838219.db2.gz NRZOKCWTPQPISA-MRXNPFEDSA-N -1 3 345.362 2.537 20 30 EFEDHM COc1cc(C(=O)/C=C\c2cn(C)nc2C2CC2)c(OC)cc1[O-] ZINC000899363427 1109297579 /nfs/dbraw/zinc/29/75/79/1109297579.db2.gz MKMNRTSEICAIDG-SREVYHEPSA-N -1 3 328.368 2.916 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ccccc2)ccc1F ZINC000914458611 1111162039 /nfs/dbraw/zinc/16/20/39/1111162039.db2.gz HHIJCIHPSNOKDT-UHFFFAOYSA-N -1 3 349.383 2.647 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@@H]23)cn1 ZINC001060500136 1111273802 /nfs/dbraw/zinc/27/38/02/1111273802.db2.gz QTZMLYMGIMTMQV-FSPWUOQZSA-N -1 3 348.406 2.622 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3csc(C#N)c3)nc21 ZINC001127332347 1111480155 /nfs/dbraw/zinc/48/01/55/1111480155.db2.gz ZAAFRIVNRSWROD-UHFFFAOYSA-N 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/nfs/dbraw/zinc/69/53/67/1119695367.db2.gz LJZVEIIKRUXLQH-UHFFFAOYSA-N -1 3 342.848 2.667 20 30 EFEDHM COc1ccc(CC(=O)[N-]OCc2ccc(C#N)cc2F)cc1OC ZINC000112336332 1120252796 /nfs/dbraw/zinc/25/27/96/1120252796.db2.gz NOZVHGJRTOTJPN-UHFFFAOYSA-N -1 3 344.342 2.505 20 30 EFEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000160853275 529587539 /nfs/dbraw/zinc/58/75/39/529587539.db2.gz LEBAKDYVQPXPLB-MRVPVSSYSA-N -1 3 337.626 2.683 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000183451759 235085767 /nfs/dbraw/zinc/08/57/67/235085767.db2.gz LNIXSXPFGFCLHF-LALPHHSUSA-N -1 3 329.444 2.737 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000183866749 235246492 /nfs/dbraw/zinc/24/64/92/235246492.db2.gz VAQBXEIEZLEPII-QITLCBANSA-N -1 3 341.455 2.833 20 30 EFEDHM N#Cc1ccc2c(c1)N(C(=O)c1n[n-]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000339821330 283196342 /nfs/dbraw/zinc/19/63/42/283196342.db2.gz KNPGBRQTRYKYQX-UHFFFAOYSA-N -1 3 333.307 2.546 20 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VSALYCSUWQDOLF-UHFFFAOYSA-N -1 3 340.412 2.627 20 30 EFEDHM C=C(C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000276583769 201295960 /nfs/dbraw/zinc/29/59/60/201295960.db2.gz OUFMSQRBEJKVDQ-NSHDSACASA-N -1 3 339.392 2.741 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cn1 ZINC000164935035 239118150 /nfs/dbraw/zinc/11/81/50/239118150.db2.gz LVADTMCMFZTNPN-UHFFFAOYSA-N -1 3 338.186 2.517 20 30 EFEDHM C=CCN(CC=C)C(=O)c1ccc(NC([O-])=NOCCSC)cc1 ZINC000279783075 201322821 /nfs/dbraw/zinc/32/28/21/201322821.db2.gz CFMGWUIMQQPXHH-UHFFFAOYSA-N -1 3 349.456 2.917 20 30 EFEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[N-]OCCSC)cc1 ZINC000279783075 201322825 /nfs/dbraw/zinc/32/28/25/201322825.db2.gz CFMGWUIMQQPXHH-UHFFFAOYSA-N -1 3 349.456 2.917 20 30 EFEDHM Cc1cc(N2CC[C@H](/N=C/c3c([O-])ccc4ccccc43)C2=O)n(C)n1 ZINC000173989876 239213040 /nfs/dbraw/zinc/21/30/40/239213040.db2.gz JYTFYIIWKMYDIP-RHLNUJDMSA-N -1 3 348.406 2.812 20 30 EFEDHM [O-]c1ccc2ccccc2c1/C=N/C[C@@H]1COC2(CCOCC2)O1 ZINC000182236108 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COc1ccc(C(C)(C)C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000299347346 241170623 /nfs/dbraw/zinc/17/06/23/241170623.db2.gz LQKHKSAVFSNOJO-KEBDBYFISA-N -1 3 328.412 2.993 20 30 EFEDHM C[C@]1(c2cccc(C(=O)N[C@@H]3CCO[C@H]3C3CC3)c2)NC(=O)[N-]C1=O ZINC000328901119 241264229 /nfs/dbraw/zinc/26/42/29/241264229.db2.gz YRYCFIVLVVCZOS-QWQRMKEZSA-N -1 3 343.383 2.658 20 30 EFEDHM Cn1nccc1[C@H]1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])CC(=O)N1C ZINC000328961544 241276748 /nfs/dbraw/zinc/27/67/48/241276748.db2.gz QDPHXVSXSSYTGD-ZUZCIYMTSA-N -1 3 348.790 2.587 20 30 EFEDHM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000328659129 241214774 /nfs/dbraw/zinc/21/47/74/241214774.db2.gz SEAKEHAPJKYALG-LLVKDONJSA-N -1 3 343.366 2.652 20 30 EFEDHM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000328659129 241214780 /nfs/dbraw/zinc/21/47/80/241214780.db2.gz SEAKEHAPJKYALG-LLVKDONJSA-N -1 3 343.366 2.652 20 30 EFEDHM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000328659129 241214783 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EFEDHM N#Cc1ccnc(Sc2nnc(-c3ccccc3F)[n-]2)c1[N+](=O)[O-] ZINC000132876271 223370391 /nfs/dbraw/zinc/37/03/91/223370391.db2.gz PKLGQNWERJDGEO-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM N#Cc1ccnc(Sc2n[n-]c(-c3ccccc3F)n2)c1[N+](=O)[O-] ZINC000132876271 223370392 /nfs/dbraw/zinc/37/03/92/223370392.db2.gz PKLGQNWERJDGEO-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM C=C(C)[C@@H]([N-]S(=O)(=O)Cc1cc(C)no1)c1ccc(F)c(F)c1 ZINC000356252584 242064635 /nfs/dbraw/zinc/06/46/35/242064635.db2.gz KWHRIFLIYMEJQL-OAHLLOKOSA-N -1 3 342.367 2.998 20 30 EFEDHM Cn1nc2ccccc2c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000357780044 242107337 /nfs/dbraw/zinc/10/73/37/242107337.db2.gz OFYJRWIINCMXJL-CYBMUJFWSA-N -1 3 329.363 2.950 20 30 EFEDHM C=CCN(CCOC)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000358279442 242118114 /nfs/dbraw/zinc/11/81/14/242118114.db2.gz WSXHMBJZXWEWRM-UHFFFAOYSA-N -1 3 342.399 2.824 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c(F)c1 ZINC000358798648 242133802 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C=CCOc1cccnc1C(=O)[N-]c1nc2cc(Cl)ccn2n1 ZINC000362302567 242250128 /nfs/dbraw/zinc/25/01/28/242250128.db2.gz ZKFSMRCTARTAOW-UHFFFAOYSA-N -1 3 329.747 2.595 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccs1 ZINC000072274746 203188396 /nfs/dbraw/zinc/18/83/96/203188396.db2.gz UAWIADKAIRGIAX-UHFFFAOYSA-N -1 3 329.425 2.516 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2[C@@H]1C ZINC000106682286 204208674 /nfs/dbraw/zinc/20/86/74/204208674.db2.gz GGIGNHJNKKBORS-HNNXBMFYSA-N -1 3 349.434 2.942 20 30 EFEDHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCC1 ZINC000126546388 205062888 /nfs/dbraw/zinc/06/28/88/205062888.db2.gz WYLLMSASQVERSU-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc(C)cs1 ZINC000157285460 206127877 /nfs/dbraw/zinc/12/78/77/206127877.db2.gz CZCBLKDIKQYGDS-GFCCVEGCSA-N -1 3 339.417 2.892 20 30 EFEDHM CCCCN(C)S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000158083627 206173312 /nfs/dbraw/zinc/17/33/12/206173312.db2.gz 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EFEDHM CC(C)COc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000286574357 274228341 /nfs/dbraw/zinc/22/83/41/274228341.db2.gz JHFDVNXOYGXBHB-UHFFFAOYSA-N -1 3 334.397 2.665 20 30 EFEDHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156458656 288212661 /nfs/dbraw/zinc/21/26/61/288212661.db2.gz LTWVEXBLNSRFHA-WCQYABFASA-N -1 3 337.401 2.714 20 30 EFEDHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000134188728 293280829 /nfs/dbraw/zinc/28/08/29/293280829.db2.gz NNMICXUNNZMWEM-GFCCVEGCSA-N -1 3 346.383 2.637 20 30 EFEDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000154045420 293407462 /nfs/dbraw/zinc/40/74/62/293407462.db2.gz UMCKJRZRFGGOEZ-UHFFFAOYSA-N -1 3 329.425 2.729 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CC1 ZINC000156560159 293514816 /nfs/dbraw/zinc/51/48/16/293514816.db2.gz HNLKNGGSRIXTBW-UHFFFAOYSA-N -1 3 348.374 2.847 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2cccc(C#N)c2)cc1 ZINC000158745960 293583390 /nfs/dbraw/zinc/58/33/90/293583390.db2.gz BVZBYKYNKMYRCX-UHFFFAOYSA-N -1 3 346.433 2.905 20 30 EFEDHM CC(C)CSCCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000159026727 293592939 /nfs/dbraw/zinc/59/29/39/293592939.db2.gz NTKUIQXTLCAWOE-UHFFFAOYSA-N -1 3 330.450 2.755 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000425187147 294844266 /nfs/dbraw/zinc/84/42/66/294844266.db2.gz DLYDDCFIQUCSIQ-WCBMZHEXSA-N -1 3 347.209 2.559 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)c(F)c1 ZINC000151173834 310679812 /nfs/dbraw/zinc/67/98/12/310679812.db2.gz PGWCQESCETWGLG-CYBMUJFWSA-N -1 3 346.383 2.542 20 30 EFEDHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)OC ZINC000362974930 311928108 /nfs/dbraw/zinc/92/81/08/311928108.db2.gz CELGLMXMKBBLNW-GWCFXTLKSA-N -1 3 330.837 2.551 20 30 EFEDHM O=C(/C=C/c1cc(Cl)cc(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000493144550 314256397 /nfs/dbraw/zinc/25/63/97/314256397.db2.gz DVVFUFCDZCLUFQ-AAOUONPWSA-N -1 3 329.183 2.503 20 30 EFEDHM COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(C#N)c2)c1[O-] ZINC000544636222 317892161 /nfs/dbraw/zinc/89/21/61/317892161.db2.gz WOEKZOSIRVQZGA-UHFFFAOYSA-N -1 3 330.727 2.956 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H](C)c2ccncc2)no1 ZINC000547216605 317992009 /nfs/dbraw/zinc/99/20/09/317992009.db2.gz BHXHLFUUXOPOOV-LLVKDONJSA-N -1 3 349.394 2.991 20 30 EFEDHM Cc1cc(C#N)cnc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000551885595 318221587 /nfs/dbraw/zinc/22/15/87/318221587.db2.gz IABRKKYBSXXOEN-UHFFFAOYSA-N -1 3 346.184 2.660 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)ccc1C#N ZINC000556037128 318376708 /nfs/dbraw/zinc/37/67/08/318376708.db2.gz KKUNRFIAXJKZFG-ZDUSSCGKSA-N -1 3 332.347 2.876 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(Cc2cccc(Cl)c2)CC1 ZINC000556318206 318387208 /nfs/dbraw/zinc/38/72/08/318387208.db2.gz STAYVRUFXOOGIH-UHFFFAOYSA-N -1 3 347.827 2.660 20 30 EFEDHM N#Cc1cccc(NC(=O)C2CCN(Cc3ncccc3[O-])CC2)c1 ZINC000565648453 318989595 /nfs/dbraw/zinc/98/95/95/318989595.db2.gz GWONMJODTBHMJU-UHFFFAOYSA-N -1 3 336.395 2.510 20 30 EFEDHM CC(C)([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1 ZINC000571772604 319606259 /nfs/dbraw/zinc/60/62/59/319606259.db2.gz CXDXCDLIZVKBAJ-UHFFFAOYSA-N -1 3 343.246 2.788 20 30 EFEDHM CC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)Cc2ccccc2C1 ZINC000577662775 320131720 /nfs/dbraw/zinc/13/17/20/320131720.db2.gz VDIGRBUOMMIXSV-UHFFFAOYSA-N -1 3 344.411 2.781 20 30 EFEDHM CC(C)c1ccc(CC[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000578416710 320203590 /nfs/dbraw/zinc/20/35/90/320203590.db2.gz RYEIRJXGYFEHON-UHFFFAOYSA-N -1 3 329.425 2.598 20 30 EFEDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)o1 ZINC000581405331 324368427 /nfs/dbraw/zinc/36/84/27/324368427.db2.gz SPIMNNPMUGAIOM-IINYFYTJSA-N -1 3 334.372 2.892 20 30 EFEDHM CC(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000049458164 472950634 /nfs/dbraw/zinc/95/06/34/472950634.db2.gz GLSBYWRTNRXJBY-OAHLLOKOSA-N -1 3 328.393 2.754 20 30 EFEDHM C=CCOc1ccccc1CNC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000111644887 473220726 /nfs/dbraw/zinc/22/07/26/473220726.db2.gz IRGYVONGBKXDBL-UHFFFAOYSA-N -1 3 340.379 2.845 20 30 EFEDHM Cc1nc(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000081562661 473219508 /nfs/dbraw/zinc/21/95/08/473219508.db2.gz WTHXJOJFNVJREE-UHFFFAOYSA-N -1 3 330.413 2.508 20 30 EFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCS1 ZINC000124275530 473226185 /nfs/dbraw/zinc/22/61/85/473226185.db2.gz OXAZGZVUYPWGAK-ZDUSSCGKSA-N -1 3 330.862 2.776 20 30 EFEDHM COc1ccc(C#N)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000140969335 473249980 /nfs/dbraw/zinc/24/99/80/473249980.db2.gz DCADDNUBMBYVDA-UHFFFAOYSA-N -1 3 337.295 2.604 20 30 EFEDHM CCOC(=O)c1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)n[n-]1 ZINC000530432303 467984165 /nfs/dbraw/zinc/98/41/65/467984165.db2.gz IXFXBBIYQOZIAN-CYBMUJFWSA-N -1 3 326.356 2.612 20 30 EFEDHM CCOC(=O)c1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)[n-]n1 ZINC000530432303 467984169 /nfs/dbraw/zinc/98/41/69/467984169.db2.gz IXFXBBIYQOZIAN-CYBMUJFWSA-N -1 3 326.356 2.612 20 30 EFEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2cc(COC(C)(C)C)on2)n1 ZINC000472324575 467985684 /nfs/dbraw/zinc/98/56/84/467985684.db2.gz WMDBTXMFMCNMBV-UHFFFAOYSA-N -1 3 331.376 2.891 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1 ZINC000096188013 473331260 /nfs/dbraw/zinc/33/12/60/473331260.db2.gz PSGDIQUKFNMGBI-YHYXMXQVSA-N -1 3 326.377 2.826 20 30 EFEDHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)nc1 ZINC000619744188 479871208 /nfs/dbraw/zinc/87/12/08/479871208.db2.gz WSKRDLQWWSBOAV-LBPRGKRZSA-N -1 3 347.396 2.522 20 30 EFEDHM CC(C)c1nc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c[nH]1 ZINC000619752874 479875131 /nfs/dbraw/zinc/87/51/31/479875131.db2.gz BROVPTZKYBVEAE-UHFFFAOYSA-N -1 3 338.820 2.537 20 30 EFEDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000344832584 474795454 /nfs/dbraw/zinc/79/54/54/474795454.db2.gz OSXBXWRSFSYZIA-UWVGGRQHSA-N -1 3 343.246 2.788 20 30 EFEDHM N#Cc1ccc(CNC(=O)c2cc(F)cc3nn[n-]c32)cc1Cl ZINC000619781186 479884164 /nfs/dbraw/zinc/88/41/64/479884164.db2.gz YATCDNUGERDMHW-UHFFFAOYSA-N -1 3 329.722 2.552 20 30 EFEDHM N#Cc1ccc(CNC(=O)c2cc(F)cc3[n-]nnc32)cc1Cl ZINC000619781186 479884170 /nfs/dbraw/zinc/88/41/70/479884170.db2.gz YATCDNUGERDMHW-UHFFFAOYSA-N -1 3 329.722 2.552 20 30 EFEDHM N#Cc1ccc(CNC(=O)c2cc(F)cc3n[n-]nc32)cc1Cl ZINC000619781186 479884177 /nfs/dbraw/zinc/88/41/77/479884177.db2.gz YATCDNUGERDMHW-UHFFFAOYSA-N -1 3 329.722 2.552 20 30 EFEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285024046 474866619 /nfs/dbraw/zinc/86/66/19/474866619.db2.gz HRAVYIKWBRDEQG-MRVPVSSYSA-N -1 3 326.727 2.939 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000286932568 475084944 /nfs/dbraw/zinc/08/49/44/475084944.db2.gz PVUHKLBVFWRXFQ-SECBINFHSA-N -1 3 329.219 2.564 20 30 EFEDHM C=C(CC)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000452044780 476791710 /nfs/dbraw/zinc/79/17/10/476791710.db2.gz SIBVZNYYDBIKQP-UHFFFAOYSA-N -1 3 339.438 2.932 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CC1 ZINC000555683591 479165262 /nfs/dbraw/zinc/16/52/62/479165262.db2.gz DQZBIYQNZFFYRF-UHFFFAOYSA-N -1 3 349.637 2.685 20 30 EFEDHM C=CCNC(=S)N=NCc1cc(Br)c([O-])c(OC)c1 ZINC000004056605 471458301 /nfs/dbraw/zinc/45/83/01/471458301.db2.gz CAAHWNCPXOWYLT-UHFFFAOYSA-N -1 3 344.234 2.559 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2cccnc21 ZINC000009690695 471721415 /nfs/dbraw/zinc/72/14/15/471721415.db2.gz JHXKUYVVFZGVLF-UHFFFAOYSA-N -1 3 346.390 2.983 20 30 EFEDHM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000015508872 471906586 /nfs/dbraw/zinc/90/65/86/471906586.db2.gz JPXCGOCCNVOHMZ-UHFFFAOYSA-N -1 3 348.399 2.851 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2ccccc21 ZINC000053476866 472013963 /nfs/dbraw/zinc/01/39/63/472013963.db2.gz WQYVYZVWYLBKFK-GOSISDBHSA-N -1 3 335.407 2.600 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cnn(Cc2ccccc2)c1 ZINC000053525289 472016494 /nfs/dbraw/zinc/01/64/94/472016494.db2.gz XOVZWIFGIUISJQ-UHFFFAOYSA-N -1 3 345.366 2.748 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cnn(Cc2ccccc2)c1 ZINC000053525289 472016498 /nfs/dbraw/zinc/01/64/98/472016498.db2.gz XOVZWIFGIUISJQ-UHFFFAOYSA-N -1 3 345.366 2.748 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cnn(Cc2ccccc2)c1 ZINC000053525289 472016500 /nfs/dbraw/zinc/01/65/00/472016500.db2.gz XOVZWIFGIUISJQ-UHFFFAOYSA-N -1 3 345.366 2.748 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(-n2ccnc2)cc1 ZINC000053526522 472016774 /nfs/dbraw/zinc/01/67/74/472016774.db2.gz XDPCZKQRASALJH-UHFFFAOYSA-N -1 3 331.339 2.689 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(-n2ccnc2)cc1 ZINC000053526522 472016777 /nfs/dbraw/zinc/01/67/77/472016777.db2.gz XDPCZKQRASALJH-UHFFFAOYSA-N -1 3 331.339 2.689 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(-n2ccnc2)cc1 ZINC000053526522 472016781 /nfs/dbraw/zinc/01/67/81/472016781.db2.gz XDPCZKQRASALJH-UHFFFAOYSA-N -1 3 331.339 2.689 20 30 EFEDHM N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000023450912 472032555 /nfs/dbraw/zinc/03/25/55/472032555.db2.gz BRTQMVCBNGSZHB-UHFFFAOYSA-N -1 3 335.407 2.612 20 30 EFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000054157719 472063128 /nfs/dbraw/zinc/06/31/28/472063128.db2.gz PBFGRUHHGURQKH-ZETCQYMHSA-N -1 3 337.626 2.540 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1F ZINC000041509175 472066536 /nfs/dbraw/zinc/06/65/36/472066536.db2.gz IBRQFKDVWIOPAH-GFCCVEGCSA-N -1 3 328.347 2.642 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(Cn3cccn3)cc2)nc(C)n1 ZINC000041561266 472069486 /nfs/dbraw/zinc/06/94/86/472069486.db2.gz JTEOEQFFMKHZFU-QGZVFWFLSA-N -1 3 331.379 2.828 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(Cn3cccn3)cc2)nc(C)n1 ZINC000041561268 472069798 /nfs/dbraw/zinc/06/97/98/472069798.db2.gz JTEOEQFFMKHZFU-KRWDZBQOSA-N -1 3 331.379 2.828 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cnc3c(cnn3C(C)C)c2)nc(C)n1 ZINC000041561456 472069982 /nfs/dbraw/zinc/06/99/82/472069982.db2.gz FWXWOCGRNYEZPE-HNNXBMFYSA-N -1 3 334.383 2.909 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cncc(Br)c2)nc(C)n1 ZINC000041574209 472070524 /nfs/dbraw/zinc/07/05/24/472070524.db2.gz FOVOALZNOYQRBL-GFCCVEGCSA-N -1 3 331.173 2.741 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(NC(=O)C3CC3)cc2)nc(C)n1 ZINC000041574535 472070728 /nfs/dbraw/zinc/07/07/28/472070728.db2.gz MRFQBIMWUUYNIC-MRXNPFEDSA-N -1 3 334.379 2.932 20 30 EFEDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000067917005 472109609 /nfs/dbraw/zinc/10/96/09/472109609.db2.gz JHINIEHOAHCQOL-QMMMGPOBSA-N -1 3 347.341 2.696 20 30 EFEDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000067917005 472109612 /nfs/dbraw/zinc/10/96/12/472109612.db2.gz JHINIEHOAHCQOL-QMMMGPOBSA-N -1 3 347.341 2.696 20 30 EFEDHM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000029047842 472247541 /nfs/dbraw/zinc/24/75/41/472247541.db2.gz OXORZBTZRXVRKV-KRWDZBQOSA-N -1 3 339.370 2.554 20 30 EFEDHM Cc1ccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c([O-])c1 ZINC000043805462 472263661 /nfs/dbraw/zinc/26/36/61/472263661.db2.gz ODAZZJOLSJOLLM-UHFFFAOYSA-N -1 3 349.394 2.803 20 30 EFEDHM COc1ccccc1-c1nc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)n[n-]1 ZINC000069128774 472295323 /nfs/dbraw/zinc/29/53/23/472295323.db2.gz JTQLAQBIOSLOBL-RYUDHWBXSA-N -1 3 346.387 2.652 20 30 EFEDHM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000076342072 472325168 /nfs/dbraw/zinc/32/51/68/472325168.db2.gz KWRARPTZGGDMET-UHFFFAOYSA-N -1 3 335.323 2.737 20 30 EFEDHM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000076342072 472325172 /nfs/dbraw/zinc/32/51/72/472325172.db2.gz KWRARPTZGGDMET-UHFFFAOYSA-N -1 3 335.323 2.737 20 30 EFEDHM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000076342072 472325174 /nfs/dbraw/zinc/32/51/74/472325174.db2.gz KWRARPTZGGDMET-UHFFFAOYSA-N -1 3 335.323 2.737 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000045082271 472371989 /nfs/dbraw/zinc/37/19/89/472371989.db2.gz PZMQGQBNLIUBTD-SJKOYZFVSA-N -1 3 329.444 2.833 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000045218227 472383736 /nfs/dbraw/zinc/38/37/36/472383736.db2.gz PPHWDAOWDCDRDA-CYBMUJFWSA-N -1 3 348.406 2.545 20 30 EFEDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000076935802 472427597 /nfs/dbraw/zinc/42/75/97/472427597.db2.gz ACZVXDPOPHTPCV-UHFFFAOYSA-N -1 3 347.371 2.765 20 30 EFEDHM COCCS(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000154429317 472431923 /nfs/dbraw/zinc/43/19/23/472431923.db2.gz PBNFNBVGNUGIBR-UHFFFAOYSA-N -1 3 332.381 2.739 20 30 EFEDHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c1 ZINC000154454851 472434627 /nfs/dbraw/zinc/43/46/27/472434627.db2.gz CKPYYYSBBHIZAT-HNNXBMFYSA-N -1 3 332.429 2.787 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154465503 472436313 /nfs/dbraw/zinc/43/63/13/472436313.db2.gz GKXBVCLWVRKVOZ-VIFPVBQESA-N -1 3 335.198 2.559 20 30 EFEDHM C=CC[C@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000116851539 472443139 /nfs/dbraw/zinc/44/31/39/472443139.db2.gz SOMOEHNGBKAYLC-VIFPVBQESA-N -1 3 335.201 2.985 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117115781 472455146 /nfs/dbraw/zinc/45/51/46/472455146.db2.gz OCSURLIBEBSQPH-LBPRGKRZSA-N -1 3 329.429 2.548 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCc1ccccc1 ZINC000057763949 472472607 /nfs/dbraw/zinc/47/26/07/472472607.db2.gz CGMCTJWXMIMAMZ-UHFFFAOYSA-N -1 3 338.407 2.972 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1N(C)C ZINC000045950576 472490497 /nfs/dbraw/zinc/49/04/97/472490497.db2.gz IPTJJZGQBQDACV-UHFFFAOYSA-N -1 3 338.411 2.501 20 30 EFEDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(-n4ccnn4)cc3)[n-]2)o1 ZINC000089855776 472525559 /nfs/dbraw/zinc/52/55/59/472525559.db2.gz BIYOPFGGGABLSH-UHFFFAOYSA-N -1 3 335.327 2.590 20 30 EFEDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(-n4ccnn4)cc3)n2)o1 ZINC000089855776 472525565 /nfs/dbraw/zinc/52/55/65/472525565.db2.gz BIYOPFGGGABLSH-UHFFFAOYSA-N -1 3 335.327 2.590 20 30 EFEDHM Cc1ccc(-c2nc(NC(=O)c3ccc(-n4ccnn4)cc3)n[n-]2)o1 ZINC000089855776 472525572 /nfs/dbraw/zinc/52/55/72/472525572.db2.gz 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472659157 /nfs/dbraw/zinc/65/91/57/472659157.db2.gz PMVUVTAPNOAYOV-UHFFFAOYSA-N -1 3 325.821 2.903 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000060957101 472685072 /nfs/dbraw/zinc/68/50/72/472685072.db2.gz WQHJZNUCDSWVCK-MAUKXSAKSA-N -1 3 341.455 2.977 20 30 EFEDHM COc1ccc(OCC(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000047343403 472694657 /nfs/dbraw/zinc/69/46/57/472694657.db2.gz XDUPNXLSNRPKTA-UHFFFAOYSA-N -1 3 325.328 2.542 20 30 EFEDHM COc1ccc(OCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000047343403 472694665 /nfs/dbraw/zinc/69/46/65/472694665.db2.gz XDUPNXLSNRPKTA-UHFFFAOYSA-N -1 3 325.328 2.542 20 30 EFEDHM COc1ccc(OCC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000047343403 472694669 /nfs/dbraw/zinc/69/46/69/472694669.db2.gz XDUPNXLSNRPKTA-UHFFFAOYSA-N -1 3 325.328 2.542 20 30 EFEDHM C=C(C)COc1cccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000104895056 472701895 /nfs/dbraw/zinc/70/18/95/472701895.db2.gz PWFJAHSEIQGAQE-UHFFFAOYSA-N -1 3 336.347 2.777 20 30 EFEDHM CCc1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)sc1C ZINC000047424710 472707676 /nfs/dbraw/zinc/70/76/76/472707676.db2.gz VODMRBWJLVSLQF-UHFFFAOYSA-N -1 3 344.440 2.762 20 30 EFEDHM C=C(C)CN(CC)C(=O)CSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000078540250 472730108 /nfs/dbraw/zinc/73/01/08/472730108.db2.gz WVVYKSUTZMFGKB-UHFFFAOYSA-N -1 3 346.456 2.864 20 30 EFEDHM Cn1ccc(N2CCC[C@@H](/N=C/c3c([O-])ccc4ccccc43)C2=O)n1 ZINC000132394725 472731006 /nfs/dbraw/zinc/73/10/06/472731006.db2.gz KMDIUWDXRHUFKS-VYVDHXHBSA-N -1 3 348.406 2.893 20 30 EFEDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000156623510 472733051 /nfs/dbraw/zinc/73/30/51/472733051.db2.gz GGUPCNRBHHVNHU-LBPRGKRZSA-N -1 3 345.380 2.814 20 30 EFEDHM CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156693741 472741406 /nfs/dbraw/zinc/74/14/06/472741406.db2.gz FDBAAZWRFSIRJF-UHFFFAOYSA-N -1 3 334.372 2.575 20 30 EFEDHM CC(=O)N1CCC(C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000105356739 472749517 /nfs/dbraw/zinc/74/95/17/472749517.db2.gz 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C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)ccc2O1 ZINC000106007809 472815125 /nfs/dbraw/zinc/81/51/25/472815125.db2.gz OEQDFVFXZXHVIM-JTQLQIEISA-N -1 3 332.356 2.822 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000157685383 472847827 /nfs/dbraw/zinc/84/78/27/472847827.db2.gz LXWZAXRCDWMVGS-SNVBAGLBSA-N -1 3 339.438 2.931 20 30 EFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000073719122 472860956 /nfs/dbraw/zinc/86/09/56/472860956.db2.gz LDOZPSLBIQQHJO-NSHDSACASA-N -1 3 337.339 2.706 20 30 EFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000073719122 472860960 /nfs/dbraw/zinc/86/09/60/472860960.db2.gz LDOZPSLBIQQHJO-NSHDSACASA-N -1 3 337.339 2.706 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000073719122 472860964 /nfs/dbraw/zinc/86/09/64/472860964.db2.gz LDOZPSLBIQQHJO-NSHDSACASA-N -1 3 337.339 2.706 20 30 EFEDHM C[C@@H](CN1CCN(C)CC1)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000106586442 472869509 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CCN(CC)C(=O)c1ccc(C/N=C/c2ccc(O)c([O-])c2O)cc1 ZINC000122553633 473029095 /nfs/dbraw/zinc/02/90/95/473029095.db2.gz JPQXDLFAQYMHHT-UDWIEESQSA-N -1 3 342.395 2.905 20 30 EFEDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1C ZINC000135363743 473062812 /nfs/dbraw/zinc/06/28/12/473062812.db2.gz CTCNIXUKAYTGKS-UHFFFAOYSA-N -1 3 347.371 2.765 20 30 EFEDHM COc1ccc(NC(=O)CCc2c(C)nn(CCC#N)c2C)c([O-])c1 ZINC000135419918 473068707 /nfs/dbraw/zinc/06/87/07/473068707.db2.gz RMXGALJBTMGGID-UHFFFAOYSA-N -1 3 342.399 2.699 20 30 EFEDHM C=C(C)COc1cccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000066463427 473099826 /nfs/dbraw/zinc/09/98/26/473099826.db2.gz XFVQWOAFVIYERH-UHFFFAOYSA-N -1 3 341.411 2.913 20 30 EFEDHM CCc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1ccccn1 ZINC000136536280 473162889 /nfs/dbraw/zinc/16/28/89/473162889.db2.gz WNPJRGHIWKCEIN-OAHLLOKOSA-N -1 3 328.393 2.538 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCCS2)c1 ZINC000160835646 473180944 /nfs/dbraw/zinc/18/09/44/473180944.db2.gz 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473450450 /nfs/dbraw/zinc/45/04/50/473450450.db2.gz ZZWPSYCJAVQJBT-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190996911 473451872 /nfs/dbraw/zinc/45/18/72/473451872.db2.gz JMGVNZUCUDBKGJ-JTQLQIEISA-N -1 3 328.821 2.709 20 30 EFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C(C)(C)O1 ZINC000185701159 473492371 /nfs/dbraw/zinc/49/23/71/473492371.db2.gz FWFOVVYUBCOLCD-ZDUSSCGKSA-N -1 3 342.848 2.836 20 30 EFEDHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000191161589 473495098 /nfs/dbraw/zinc/49/50/98/473495098.db2.gz FPKDDVALIKBVSM-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)cn1 ZINC000191227538 473512354 /nfs/dbraw/zinc/51/23/54/473512354.db2.gz GRQSRUVXAFOCKP-UHFFFAOYSA-N -1 3 347.783 2.536 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000127288609 473596687 /nfs/dbraw/zinc/59/66/87/473596687.db2.gz KKUOLVUUUZWNJF-JFIYKMOQSA-N -1 3 342.395 2.562 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000172473108 473618630 /nfs/dbraw/zinc/61/86/30/473618630.db2.gz QDMALYOMSUJUFA-VXGBXAGGSA-N -1 3 329.444 2.737 20 30 EFEDHM CC(=O)c1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1[O-] ZINC000613601057 480053361 /nfs/dbraw/zinc/05/33/61/480053361.db2.gz MHTVRFCEFZMDKV-FQEVSTJZSA-N -1 3 334.375 2.776 20 30 EFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000186581349 473693043 /nfs/dbraw/zinc/69/30/43/473693043.db2.gz SRRHSFNXAARNKX-ABAIWWIYSA-N -1 3 337.832 2.962 20 30 EFEDHM COc1ccc(OCCS(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000172889747 473698351 /nfs/dbraw/zinc/69/83/51/473698351.db2.gz MNHFCZZSCWDYBV-UHFFFAOYSA-N -1 3 346.408 2.696 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nccs1 ZINC000186681839 473727485 /nfs/dbraw/zinc/72/74/85/473727485.db2.gz XMRBZFCUONUWKL-SECBINFHSA-N -1 3 341.845 2.750 20 30 EFEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)cc1C ZINC000274275720 473774749 /nfs/dbraw/zinc/77/47/49/473774749.db2.gz BGZKPEZSEVAZGP-HNNXBMFYSA-N -1 3 339.417 2.818 20 30 EFEDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2cccc(C#N)c2)o1 ZINC000173354208 473813380 /nfs/dbraw/zinc/81/33/80/473813380.db2.gz OIGJVTWVEAENEY-INIZCTEOSA-N -1 3 348.424 2.521 20 30 EFEDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C#N)ccc2C)o1 ZINC000173355753 473813649 /nfs/dbraw/zinc/81/36/49/473813649.db2.gz KGRNUNXGAFLFDT-OAHLLOKOSA-N -1 3 348.424 2.688 20 30 EFEDHM C=CC[C@H](CC)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000281719188 473816760 /nfs/dbraw/zinc/81/67/60/473816760.db2.gz NKBQAFDFJCAJBR-HNNXBMFYSA-N -1 3 340.427 2.956 20 30 EFEDHM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc12 ZINC000194083744 473839347 /nfs/dbraw/zinc/83/93/47/473839347.db2.gz NDERDDZSWUIJNF-AWEZNQCLSA-N -1 3 344.378 2.654 20 30 EFEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc(C#N)c2)C2CC2)n1 ZINC000173465451 473846525 /nfs/dbraw/zinc/84/65/25/473846525.db2.gz MVYUCSXSGAOUIN-AWEZNQCLSA-N -1 3 333.438 2.753 20 30 EFEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2)C2CC2)s1 ZINC000173485312 473851626 /nfs/dbraw/zinc/85/16/26/473851626.db2.gz UOONBYDNKCGURK-CQSZACIVSA-N -1 3 333.438 2.753 20 30 EFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000281874671 473868010 /nfs/dbraw/zinc/86/80/10/473868010.db2.gz MMYAVCRFQZCFGU-ZETCQYMHSA-N -1 3 337.626 2.683 20 30 EFEDHM Cc1cc(C)c2ncc(C#N)c(N3CCc4nc[n-]c(=O)c4C3)c2c1 ZINC000269719600 473871363 /nfs/dbraw/zinc/87/13/63/473871363.db2.gz RPPHTOLWPAPTFD-UHFFFAOYSA-N -1 3 331.379 2.782 20 30 EFEDHM COCCCOc1cccc(C/N=C/c2ccc(O)c([O-])c2O)c1 ZINC000269721680 473871387 /nfs/dbraw/zinc/87/13/87/473871387.db2.gz UQCOZNWDWUQIIV-XDHOZWIPSA-N -1 3 331.368 2.838 20 30 EFEDHM COC(=O)C1(C/N=C/c2c([O-])ccc3ccccc32)CCOCC1 ZINC000180423328 473874064 /nfs/dbraw/zinc/87/40/64/473874064.db2.gz BMXXZJGEWJDPPP-UDWIEESQSA-N -1 3 327.380 2.934 20 30 EFEDHM C=CCCS(=O)(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1C ZINC000282063800 473935075 /nfs/dbraw/zinc/93/50/75/473935075.db2.gz UUTNUVSROUMSOJ-UHFFFAOYSA-N -1 3 349.206 2.984 20 30 EFEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)n1 ZINC000288449893 473946554 /nfs/dbraw/zinc/94/65/54/473946554.db2.gz VCJCCPFKBCUCOP-UHFFFAOYSA-N -1 3 349.481 2.932 20 30 EFEDHM CCCCCCCCNC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000270079211 473981499 /nfs/dbraw/zinc/98/14/99/473981499.db2.gz WULVHVVYLDMBNS-IBGZPJMESA-N -1 3 345.443 2.832 20 30 EFEDHM CCOC(=O)Nc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1C#N ZINC000274858159 473990622 /nfs/dbraw/zinc/99/06/22/473990622.db2.gz SQUMXFRNPDJFTP-AWEZNQCLSA-N -1 3 348.359 2.706 20 30 EFEDHM CCOC(=O)Nc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1C#N ZINC000274858159 473990631 /nfs/dbraw/zinc/99/06/31/473990631.db2.gz SQUMXFRNPDJFTP-AWEZNQCLSA-N -1 3 348.359 2.706 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC1CCC1)C(C)C ZINC000195143756 474015445 /nfs/dbraw/zinc/01/54/45/474015445.db2.gz LNNBEJYFDLQSCN-UHFFFAOYSA-N -1 3 329.444 2.833 20 30 EFEDHM Cc1ccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000181292613 474023444 /nfs/dbraw/zinc/02/34/44/474023444.db2.gz AZYGLVIRCWFMBE-JTQLQIEISA-N -1 3 338.289 2.694 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000181418964 474034745 /nfs/dbraw/zinc/03/47/45/474034745.db2.gz COKZYCGFZAFOKN-OAHLLOKOSA-N -1 3 345.443 2.604 20 30 EFEDHM N#CC1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000195314841 474057059 /nfs/dbraw/zinc/05/70/59/474057059.db2.gz HMFRIPRKQRVIBE-UHFFFAOYSA-N -1 3 340.408 2.980 20 30 EFEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)/C=C/c1cncc([O-])c1 ZINC000181937564 474070966 /nfs/dbraw/zinc/07/09/66/474070966.db2.gz XQADBELHYKOLHM-VOTSOKGWSA-N -1 3 339.351 2.923 20 30 EFEDHM Cc1nc(NC(=O)/C=C/c2cncc([O-])c2)sc1SCC#N ZINC000181951999 474071246 /nfs/dbraw/zinc/07/12/46/474071246.db2.gz DJXATRUCRUNMKU-NSCUHMNNSA-N -1 3 332.410 2.820 20 30 EFEDHM C=CCN(CC=C)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)C(C)C ZINC000188398687 474082628 /nfs/dbraw/zinc/08/26/28/474082628.db2.gz ZQROHTXLPDXDAK-QGZVFWFLSA-N -1 3 327.428 2.692 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2ccc(N3CCCC3=O)c(F)c2)c1[O-] ZINC000264809623 474135147 /nfs/dbraw/zinc/13/51/47/474135147.db2.gz SKRSBCZNOIZFRV-ZVBGSRNCSA-N -1 3 343.358 2.604 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000265166384 474169435 /nfs/dbraw/zinc/16/94/35/474169435.db2.gz UVGQQEJPJMHYTL-XYHOIZSOSA-N -1 3 325.412 2.676 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000188922620 474235668 /nfs/dbraw/zinc/23/56/68/474235668.db2.gz RWWSPQJQUSFGAJ-DOMZBBRYSA-N -1 3 329.444 2.881 20 30 EFEDHM N#CCCCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000182788863 474256568 /nfs/dbraw/zinc/25/65/68/474256568.db2.gz JTBIJGPAHLYFOI-UHFFFAOYSA-N -1 3 325.397 2.895 20 30 EFEDHM CC(C)(C#N)c1ccccc1CN1CCCC[C@H]1c1nc(=O)[n-][nH]1 ZINC000289419229 474262602 /nfs/dbraw/zinc/26/26/02/474262602.db2.gz UMIJSYONAJOZDI-HNNXBMFYSA-N -1 3 325.416 2.626 20 30 EFEDHM N#CCN(Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CCCC1 ZINC000265665064 474288061 /nfs/dbraw/zinc/28/80/61/474288061.db2.gz ULHNOGIZIBPUSG-UHFFFAOYSA-N -1 3 348.410 2.789 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2c(F)cccc2Cl)c1[O-] ZINC000265864993 474365976 /nfs/dbraw/zinc/36/59/76/474365976.db2.gz NXYXTLVDYYTVJE-YARKXYPPSA-N -1 3 338.766 2.533 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000189531147 474434081 /nfs/dbraw/zinc/43/40/81/474434081.db2.gz JJCILYAQTFVZPU-KRWDZBQOSA-N -1 3 331.372 2.517 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000189531147 474434084 /nfs/dbraw/zinc/43/40/84/474434084.db2.gz JJCILYAQTFVZPU-KRWDZBQOSA-N -1 3 331.372 2.517 20 30 EFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000271254343 474460262 /nfs/dbraw/zinc/46/02/62/474460262.db2.gz IWXJFGDSAVGFRJ-UHFFFAOYSA-N -1 3 344.458 2.676 20 30 EFEDHM C#CCC(C)(C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000184304977 474497420 /nfs/dbraw/zinc/49/74/20/474497420.db2.gz DSAKRUMZQBQGDF-UHFFFAOYSA-N -1 3 328.412 2.619 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCc2ccccc2OC(F)F)c1[O-] ZINC000276372130 474515019 /nfs/dbraw/zinc/51/50/19/474515019.db2.gz JXWQXWNBYVKZKI-AWQFTUOYSA-N -1 3 336.338 2.851 20 30 EFEDHM C=CCC(CC=C)C(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290340897 474566609 /nfs/dbraw/zinc/56/66/09/474566609.db2.gz KIPDQKNWFICQMV-GFCCVEGCSA-N -1 3 332.366 2.672 20 30 EFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276964144 474575118 /nfs/dbraw/zinc/57/51/18/474575118.db2.gz VYBXFIYXQLAWGU-ZETCQYMHSA-N -1 3 337.626 2.683 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@]2(C)OCCc3sccc32)c1[O-] ZINC000290537866 474575368 /nfs/dbraw/zinc/57/53/68/474575368.db2.gz LIHORXNDCLEBHG-OGUWASHFSA-N -1 3 332.425 2.556 20 30 EFEDHM C=CCN1CCC(NC(=O)c2ccc(OCCCC)cc2[O-])CC1 ZINC000190313657 474577557 /nfs/dbraw/zinc/57/75/57/474577557.db2.gz MIPPKJNUUZFJPT-UHFFFAOYSA-N -1 3 332.444 2.951 20 30 EFEDHM Cc1nnc(CC/N=C/c2cc(Br)ccc2[O-])s1 ZINC000290590883 474578961 /nfs/dbraw/zinc/57/89/61/474578961.db2.gz QNHYKMKONXPQNQ-VGOFMYFVSA-N -1 3 326.219 2.976 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000271752764 474589624 /nfs/dbraw/zinc/58/96/24/474589624.db2.gz ZOGWRTKEZXWHNB-PBHICJAKSA-N -1 3 345.443 2.528 20 30 EFEDHM CC(C)(C#N)CCCCN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000277697005 474593587 /nfs/dbraw/zinc/59/35/87/474593587.db2.gz LTLCAWQDHKZGKC-UHFFFAOYSA-N -1 3 329.444 2.870 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000271803504 474594163 /nfs/dbraw/zinc/59/41/63/474594163.db2.gz LQOKVYDCYMDSEH-GDRMPVTESA-N -1 3 348.349 2.815 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000271803506 474594302 /nfs/dbraw/zinc/59/43/02/474594302.db2.gz LQOKVYDCYMDSEH-GIXHQOPHSA-N -1 3 348.349 2.815 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000272416632 474611115 /nfs/dbraw/zinc/61/11/15/474611115.db2.gz MPOWODYRLHCMFD-SFHVURJKSA-N -1 3 328.416 2.653 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3cccc(Cl)c3)C2)c1[O-] ZINC000267527497 474673458 /nfs/dbraw/zinc/67/34/58/474673458.db2.gz XZVRMNKKEPSVJW-MNPVBQOISA-N -1 3 345.830 2.939 20 30 EFEDHM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000344408960 474728000 /nfs/dbraw/zinc/72/80/00/474728000.db2.gz MKDUEFCIWPTQNN-SKDRFNHKSA-N -1 3 343.246 2.788 20 30 EFEDHM COC(=O)c1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c[nH]1 ZINC000344603206 474770730 /nfs/dbraw/zinc/77/07/30/474770730.db2.gz JBIKXDOZPBHKFW-SNVBAGLBSA-N -1 3 337.257 2.705 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4nsnc4c3)nc1-2 ZINC000344625186 474773852 /nfs/dbraw/zinc/77/38/52/474773852.db2.gz LQQGAGGULWPNNH-SNVBAGLBSA-N -1 3 334.364 2.761 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(NC(=O)C(C)C)c2)nc(C)n1 ZINC000344720232 474783742 /nfs/dbraw/zinc/78/37/42/474783742.db2.gz GECRRPVIWQDJTD-AWEZNQCLSA-N -1 3 337.383 2.573 20 30 EFEDHM C[C@H]1C[C@@]1([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1 ZINC000337227217 474802063 /nfs/dbraw/zinc/80/20/63/474802063.db2.gz GETYEMJQKOLBII-ZBEGNZNMSA-N -1 3 347.827 2.820 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)c1ccccc1 ZINC000344880970 474806075 /nfs/dbraw/zinc/80/60/75/474806075.db2.gz KOQLTFDGKUVUMD-UHFFFAOYSA-N -1 3 349.383 2.604 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)c1ccccc1 ZINC000344918547 474811958 /nfs/dbraw/zinc/81/19/58/474811958.db2.gz ROQUKRHRIQBCPR-UHFFFAOYSA-N -1 3 349.383 2.604 20 30 EFEDHM Cc1ccc(C/N=C/c2ccc(O)c([O-])c2O)c(O[C@H]2CCOC2)c1 ZINC000268179003 474846550 /nfs/dbraw/zinc/84/65/50/474846550.db2.gz SLQIVTOEGKZXDT-VYXQJKENSA-N -1 3 343.379 2.899 20 30 EFEDHM CCC(CC)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)OC ZINC000314508066 474863890 /nfs/dbraw/zinc/86/38/90/474863890.db2.gz MQFDWIQZLAJRNT-UHFFFAOYSA-N -1 3 330.837 2.695 20 30 EFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000315979985 474876840 /nfs/dbraw/zinc/87/68/40/474876840.db2.gz ODZXDEKJZZAEMT-UHFFFAOYSA-N -1 3 349.225 2.806 20 30 EFEDHM C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273432455 474894581 /nfs/dbraw/zinc/89/45/81/474894581.db2.gz LFVIWYWPLIKBAK-VIFPVBQESA-N -1 3 338.256 2.950 20 30 EFEDHM Cc1nc(-c2ccc(NC(=O)N(C)C[C@@H](C)C#N)cc2)cc(=O)[n-]1 ZINC000339084107 474912399 /nfs/dbraw/zinc/91/23/99/474912399.db2.gz PQNQMPKOSOKBAO-NSHDSACASA-N -1 3 325.372 2.781 20 30 EFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1 ZINC000285167113 474915377 /nfs/dbraw/zinc/91/53/77/474915377.db2.gz SYFVLZWPQXLLIU-GFCCVEGCSA-N -1 3 336.841 2.544 20 30 EFEDHM CCOC(=O)c1sc([N-]C(=O)c2ccncc2F)c(C#N)c1C ZINC000322482614 474939416 /nfs/dbraw/zinc/93/94/16/474939416.db2.gz LBVCTNUPYRSXGQ-UHFFFAOYSA-N -1 3 333.344 2.891 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2F)c(C(F)(F)F)c1 ZINC000339116664 474942716 /nfs/dbraw/zinc/94/27/16/474942716.db2.gz AFCPEKTXZUFOMN-GHMZBOCLSA-N -1 3 336.310 2.746 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1CC#N ZINC000339167201 474996975 /nfs/dbraw/zinc/99/69/75/474996975.db2.gz ICJLGRFSQCLZSH-UHFFFAOYSA-N -1 3 334.379 2.913 20 30 EFEDHM CCOc1ccc(C#N)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000337423055 475001931 /nfs/dbraw/zinc/00/19/31/475001931.db2.gz BUUKTDXNGRQJAT-UHFFFAOYSA-N -1 3 325.303 2.620 20 30 EFEDHM CCOc1ccc(C#N)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000337423055 475001937 /nfs/dbraw/zinc/00/19/37/475001937.db2.gz BUUKTDXNGRQJAT-UHFFFAOYSA-N -1 3 325.303 2.620 20 30 EFEDHM CCOc1ccc(C#N)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000337423055 475001941 /nfs/dbraw/zinc/00/19/41/475001941.db2.gz BUUKTDXNGRQJAT-UHFFFAOYSA-N -1 3 325.303 2.620 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc(C(C)C)nc1 ZINC000279975763 475002020 /nfs/dbraw/zinc/00/20/20/475002020.db2.gz OYVVKTDWSPFRJF-UHFFFAOYSA-N -1 3 339.399 2.760 20 30 EFEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000341230424 475033847 /nfs/dbraw/zinc/03/38/47/475033847.db2.gz SLSPVZHRCXPXTE-LLVKDONJSA-N -1 3 343.832 2.858 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000268819063 475043603 /nfs/dbraw/zinc/04/36/03/475043603.db2.gz WWCLETOKAYJWTJ-LLVKDONJSA-N -1 3 339.392 2.741 20 30 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EFEDHM COCc1nc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cs1 ZINC000345387393 475148147 /nfs/dbraw/zinc/14/81/47/475148147.db2.gz YLRWOYSIHCZQHA-JTQLQIEISA-N -1 3 326.381 2.964 20 30 EFEDHM C[C@H](NC(=O)c1csc(=O)[n-]1)C1CCN(CC(F)(F)F)CC1 ZINC000329935012 475168282 /nfs/dbraw/zinc/16/82/82/475168282.db2.gz QVSCJJHMOZVKEK-QMMMGPOBSA-N -1 3 337.367 2.816 20 30 EFEDHM CN(C)c1ccccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000345479393 475212531 /nfs/dbraw/zinc/21/25/31/475212531.db2.gz PDHZWCNCVYTOGH-UHFFFAOYSA-N -1 3 349.843 2.756 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000345536469 475249686 /nfs/dbraw/zinc/24/96/86/475249686.db2.gz HLQQGGJUCDOSKD-CYBMUJFWSA-N -1 3 345.436 2.874 20 30 EFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000345536405 475250463 /nfs/dbraw/zinc/25/04/63/475250463.db2.gz HDJSUKAQEGAQHK-WDEREUQCSA-N -1 3 333.837 2.607 20 30 EFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000330673101 475264067 /nfs/dbraw/zinc/26/40/67/475264067.db2.gz 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CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000331991834 475478718 /nfs/dbraw/zinc/47/87/18/475478718.db2.gz QIKSGJHTBQLKOH-LBPRGKRZSA-N -1 3 347.209 2.559 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccncc1F ZINC000337985049 475482857 /nfs/dbraw/zinc/48/28/57/475482857.db2.gz JDJKQMMFPFIQKQ-SECBINFHSA-N -1 3 339.779 2.785 20 30 EFEDHM N#Cc1csc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000338036296 475530980 /nfs/dbraw/zinc/53/09/80/475530980.db2.gz XEBHEBGPXWFIIU-UHFFFAOYSA-N -1 3 347.197 2.704 20 30 EFEDHM C=CCN(Cc1ccccc1F)C(=O)c1c[n-]c2ccncc2c1=O ZINC000342047721 475532061 /nfs/dbraw/zinc/53/20/61/475532061.db2.gz WPFRPCDSDSJTKX-UHFFFAOYSA-N -1 3 337.354 2.891 20 30 EFEDHM Cc1cccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c1C#N ZINC000352733932 475574355 /nfs/dbraw/zinc/57/43/55/475574355.db2.gz XGYJSEIKHWYRPL-UHFFFAOYSA-N -1 3 336.363 2.937 20 30 EFEDHM COC(=O)c1cc(C([O-])=C(C#N)c2nccc3ccccc32)cn1C ZINC000346249124 475575037 /nfs/dbraw/zinc/57/50/37/475575037.db2.gz 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CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594848546 478560613 /nfs/dbraw/zinc/56/06/13/478560613.db2.gz FFGGNZOCYDCJBH-UHFFFAOYSA-N -1 3 330.837 2.695 20 30 EFEDHM Cc1cccc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1[O-] ZINC000597933429 478584105 /nfs/dbraw/zinc/58/41/05/478584105.db2.gz PWNDPFNGHGQMEX-UHFFFAOYSA-N -1 3 327.409 2.596 20 30 EFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000491588367 478597427 /nfs/dbraw/zinc/59/74/27/478597427.db2.gz HUXKUAUDXVCTJT-NEPJUHHUSA-N -1 3 345.848 2.608 20 30 EFEDHM C#CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000491672519 478626240 /nfs/dbraw/zinc/62/62/40/478626240.db2.gz HIHOWMGTOOHMPQ-UHFFFAOYSA-N -1 3 345.196 2.528 20 30 EFEDHM CC#CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000542468672 478654608 /nfs/dbraw/zinc/65/46/08/478654608.db2.gz MJIVGDSKHIZYDH-UHFFFAOYSA-N -1 3 336.638 2.794 20 30 EFEDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000542554425 478661323 /nfs/dbraw/zinc/66/13/23/478661323.db2.gz GXGCGIMTHOKXNL-UHFFFAOYSA-N -1 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CCc1cccc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1[O-] ZINC000564516035 478753377 /nfs/dbraw/zinc/75/33/77/478753377.db2.gz NYFSYXMGQXPYLW-UHFFFAOYSA-N -1 3 333.351 2.659 20 30 EFEDHM Cc1onc(CC(=O)Nc2ccc(Br)cc2[O-])c1C#N ZINC000543709862 478770709 /nfs/dbraw/zinc/77/07/09/478770709.db2.gz BXFLBXRFPZXSGJ-UHFFFAOYSA-N -1 3 336.145 2.504 20 30 EFEDHM N#CCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c(Cl)c1 ZINC000564653563 478778325 /nfs/dbraw/zinc/77/83/25/478778325.db2.gz YUWIKWGRWRMDAF-RYUDHWBXSA-N -1 3 330.812 2.965 20 30 EFEDHM C=CCN1CCC(NC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000528448648 478780868 /nfs/dbraw/zinc/78/08/68/478780868.db2.gz KYFHABDRWXQOJO-UHFFFAOYSA-N -1 3 339.233 2.535 20 30 EFEDHM CSCCO[N-]C(=O)/C=C\c1cn(CCC#N)c2ccccc12 ZINC000492021439 478786201 /nfs/dbraw/zinc/78/62/01/478786201.db2.gz SRTIKTHTRKWYNX-FPLPWBNLSA-N -1 3 329.425 2.979 20 30 EFEDHM N#CCCn1cc(/C=C/C(=O)[N-]OC[C@H]2CCOC2)c2ccccc21 ZINC000492044663 478797691 /nfs/dbraw/zinc/79/76/91/478797691.db2.gz OCDWZKBALDIWOB-LFAOLKIESA-N 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/nfs/dbraw/zinc/97/46/16/478974616.db2.gz UXVZYDQOKFWOKP-JKSUJKDBSA-N -1 3 325.343 2.838 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1 ZINC000528921071 478986452 /nfs/dbraw/zinc/98/64/52/478986452.db2.gz SANFSUDKMMXAHD-CQSZACIVSA-N -1 3 338.367 2.578 20 30 EFEDHM Cc1nc(NC(=O)/C=C\c2cncc([O-])c2)sc1SCC#N ZINC000492434290 478986722 /nfs/dbraw/zinc/98/67/22/478986722.db2.gz DJXATRUCRUNMKU-IHWYPQMZSA-N -1 3 332.410 2.820 20 30 EFEDHM C=CCOc1ccc(/C=C/C(=O)[N-]OC2CCOCC2)cc1OC ZINC000492648367 479012473 /nfs/dbraw/zinc/01/24/73/479012473.db2.gz OGGSPPHRYJIAIA-FNORWQNLSA-N -1 3 333.384 2.500 20 30 EFEDHM COc1cc(/C=C\C(=O)[N-]OC2CCCCC2)ccc1OCC#N ZINC000492718342 479015501 /nfs/dbraw/zinc/01/55/01/479015501.db2.gz KRXOHHNCKROCOQ-NTMALXAHSA-N -1 3 330.384 2.991 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc2c(s1)CCC2 ZINC000514661809 479042050 /nfs/dbraw/zinc/04/20/50/479042050.db2.gz WMQFFTOTTYTEQT-QMMMGPOBSA-N -1 3 339.467 2.604 20 30 EFEDHM Cc1ccc(CN2CC[C@H](NC(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000601880474 479055207 /nfs/dbraw/zinc/05/52/07/479055207.db2.gz NBJZYXGZWBZHGX-SFHVURJKSA-N -1 3 335.407 2.577 20 30 EFEDHM CC[C@]1(C)CC(=O)[N-]N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000601940828 479084221 /nfs/dbraw/zinc/08/42/21/479084221.db2.gz SXORJQRUISYOOU-CQSZACIVSA-N -1 3 325.290 2.761 20 30 EFEDHM N#Cc1ccc(N2[N-]C(=O)[C@@H]3CCCC[C@@H]3C2=O)c(C(F)(F)F)c1 ZINC000601948778 479090026 /nfs/dbraw/zinc/09/00/26/479090026.db2.gz LIARPGBAQGAGOY-MNOVXSKESA-N -1 3 337.301 2.761 20 30 EFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(CC(=O)OC(C)(C)C)c1 ZINC000567245719 479103806 /nfs/dbraw/zinc/10/38/06/479103806.db2.gz HYOLRCFVTQMROR-AWEZNQCLSA-N -1 3 338.429 2.615 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCC[C@H](C(=O)OC)c1ccccc1 ZINC000568509461 479126313 /nfs/dbraw/zinc/12/63/13/479126313.db2.gz MARSGKUIYIYDIZ-ZDUSSCGKSA-N -1 3 333.413 2.609 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000569196451 479137319 /nfs/dbraw/zinc/13/73/19/479137319.db2.gz JJSFOTAARXDGAF-JTQLQIEISA-N -1 3 349.225 2.700 20 30 EFEDHM COC[C@]1(C(=O)[O-])CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000602019097 479142298 /nfs/dbraw/zinc/14/22/98/479142298.db2.gz AUDRYSBKLARZSO-HNNXBMFYSA-N -1 3 342.317 2.500 20 30 EFEDHM N#CCC1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000569490455 479143422 /nfs/dbraw/zinc/14/34/22/479143422.db2.gz PBNGEBRBXAVRNE-UHFFFAOYSA-N -1 3 331.322 2.572 20 30 EFEDHM CCN(Cc1c([O-])c(C)ncc1CO)c1nc(C)c(C#N)cc1Cl ZINC000599093482 479159001 /nfs/dbraw/zinc/15/90/01/479159001.db2.gz UTXVAZWSZLULLJ-UHFFFAOYSA-N -1 3 346.818 2.843 20 30 EFEDHM COc1ccc(-c2nsc([N-]C(=O)c3cnccc3C#N)n2)cc1 ZINC000569828346 479190608 /nfs/dbraw/zinc/19/06/08/479190608.db2.gz IJJQAENSWBEIIT-UHFFFAOYSA-N -1 3 337.364 2.733 20 30 EFEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CSc2ccc(C#N)cc2)n1 ZINC000602170550 479214773 /nfs/dbraw/zinc/21/47/73/479214773.db2.gz HRIXXVSIOJRMSC-UHFFFAOYSA-N -1 3 342.424 2.506 20 30 EFEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C[C@H](CC#N)c2ccccc2)n1 ZINC000602171419 479215943 /nfs/dbraw/zinc/21/59/43/479215943.db2.gz ONBADEJZFZTVKA-HNNXBMFYSA-N -1 3 338.411 2.930 20 30 EFEDHM N#Cc1ccc(N2CCN(Cc3cc([O-])ccc3Cl)CC2)nc1 ZINC000599269548 479229559 /nfs/dbraw/zinc/22/95/59/479229559.db2.gz RWGNPFKSSJVGGW-UHFFFAOYSA-N -1 3 328.803 2.634 20 30 EFEDHM CC[C@H]1COC(C)(C)CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000593259024 479264194 /nfs/dbraw/zinc/26/41/94/479264194.db2.gz YAGBVOSQGJAFNM-AWEZNQCLSA-N -1 3 345.443 2.624 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000611029027 479266302 /nfs/dbraw/zinc/26/63/02/479266302.db2.gz YGOASMGCTZMAIU-QMMMGPOBSA-N -1 3 337.264 2.790 20 30 EFEDHM CCC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)OCC ZINC000599368241 479273349 /nfs/dbraw/zinc/27/33/49/479273349.db2.gz UZKSISVPLYVCKA-NSHDSACASA-N -1 3 330.837 2.695 20 30 EFEDHM Cc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cnn1-c1ccccc1 ZINC000574403960 479280207 /nfs/dbraw/zinc/28/02/07/479280207.db2.gz JJXGHSQKBYBFBF-UHFFFAOYSA-N -1 3 332.429 2.862 20 30 EFEDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)s2)nc1 ZINC000599411574 479288163 /nfs/dbraw/zinc/28/81/63/479288163.db2.gz ACJKRCWMZOWSFR-UHFFFAOYSA-N -1 3 335.454 2.579 20 30 EFEDHM Cc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c([O-])c1 ZINC000593353211 479308250 /nfs/dbraw/zinc/30/82/50/479308250.db2.gz QFPOFLIEMFPEGT-UHFFFAOYSA-N -1 3 349.434 2.967 20 30 EFEDHM COCc1cc(C#N)ccc1NCCCNC(=O)c1cccc([O-])c1 ZINC000603286243 479333642 /nfs/dbraw/zinc/33/36/42/479333642.db2.gz LQPLYXKHAHFSEJ-UHFFFAOYSA-N -1 3 339.395 2.642 20 30 EFEDHM CC[C@H](C#N)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000593523241 479377400 /nfs/dbraw/zinc/37/74/00/479377400.db2.gz MSIAADRNKUAREW-LLVKDONJSA-N -1 3 349.818 2.772 20 30 EFEDHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@H]1CC[C@H](C#N)C1 ZINC000593611834 479402063 /nfs/dbraw/zinc/40/20/63/479402063.db2.gz UUUMICHIHISIDU-DTWKUNHWSA-N -1 3 349.275 2.790 20 30 EFEDHM N#C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1Br ZINC000611565412 479417152 /nfs/dbraw/zinc/41/71/52/479417152.db2.gz AQOCLXCUJFLQSL-CYBMUJFWSA-N -1 3 347.168 2.855 20 30 EFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccccc1Br ZINC000588943090 479461562 /nfs/dbraw/zinc/46/15/62/479461562.db2.gz ZQKRUVVHAYMVEG-GFCCVEGCSA-N -1 3 345.262 2.807 20 30 EFEDHM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)N1CCc2sccc2C1 ZINC000589168518 479490556 /nfs/dbraw/zinc/49/05/56/479490556.db2.gz WBCFZEVYLUPDKK-LBPRGKRZSA-N -1 3 341.436 2.502 20 30 EFEDHM Cc1ccccc1CN1CCCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589168105 479491055 /nfs/dbraw/zinc/49/10/55/479491055.db2.gz NIBAXCDLHIXDJB-UHFFFAOYSA-N -1 3 349.434 2.920 20 30 EFEDHM C[C@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CN1Cc1ccccc1 ZINC000589189410 479494879 /nfs/dbraw/zinc/49/48/79/479494879.db2.gz VZBOAHNPHFCERF-KSSFIOAISA-N -1 3 335.407 2.657 20 30 EFEDHM Cc1cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1[O-] ZINC000593885251 479496698 /nfs/dbraw/zinc/49/66/98/479496698.db2.gz ABXNWOGIUVTIDL-UHFFFAOYSA-N -1 3 349.434 2.967 20 30 EFEDHM CN(Cc1ccccc1)[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000589207639 479499939 /nfs/dbraw/zinc/49/99/39/479499939.db2.gz LUUOUIOQKVNKEX-HXUWFJFHSA-N -1 3 349.434 2.904 20 30 EFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000618606641 479513103 /nfs/dbraw/zinc/51/31/03/479513103.db2.gz RNSFRKOAIMECLY-LBPRGKRZSA-N -1 3 336.335 2.553 20 30 EFEDHM N#Cc1cccc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)n1 ZINC000589402346 479521364 /nfs/dbraw/zinc/52/13/64/479521364.db2.gz IYVRLLFORBDNIS-UHFFFAOYSA-N -1 3 339.355 2.787 20 30 EFEDHM N#Cc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)n1 ZINC000589493887 479532076 /nfs/dbraw/zinc/53/20/76/479532076.db2.gz WKPPMZZULIFJRN-UHFFFAOYSA-N -1 3 330.307 2.737 20 30 EFEDHM N#Cc1cccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)n1 ZINC000589493887 479532083 /nfs/dbraw/zinc/53/20/83/479532083.db2.gz WKPPMZZULIFJRN-UHFFFAOYSA-N -1 3 330.307 2.737 20 30 EFEDHM N#Cc1cccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)n1 ZINC000589493887 479532091 /nfs/dbraw/zinc/53/20/91/479532091.db2.gz 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EFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N1CCC[C@](C)(C#N)C1)c2=O ZINC000612397357 479664015 /nfs/dbraw/zinc/66/40/15/479664015.db2.gz HZMNUBLZWDTYDH-GOSISDBHSA-N -1 3 327.359 2.742 20 30 EFEDHM CCOCCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000621705748 479760088 /nfs/dbraw/zinc/76/00/88/479760088.db2.gz VNLUUMZCFKAWQW-MRXNPFEDSA-N -1 3 334.379 2.958 20 30 EFEDHM CCOC(=O)c1ncc(NC(=O)C[C@H](CC#N)c2ccccc2)[n-]1 ZINC000619446838 479793556 /nfs/dbraw/zinc/79/35/56/479793556.db2.gz AANZAGWXVPISOR-ZDUSSCGKSA-N -1 3 326.356 2.612 20 30 EFEDHM CCOC(=O)c1nc(NC(=O)C[C@H](CC#N)c2ccccc2)c[n-]1 ZINC000619446838 479793562 /nfs/dbraw/zinc/79/35/62/479793562.db2.gz AANZAGWXVPISOR-ZDUSSCGKSA-N -1 3 326.356 2.612 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000619549188 479825303 /nfs/dbraw/zinc/82/53/03/479825303.db2.gz HWMGYTHTYCQKHS-ZFWWWQNUSA-N -1 3 348.449 2.818 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c(F)c1 ZINC000619714902 479863998 /nfs/dbraw/zinc/86/39/98/479863998.db2.gz OUOYZSCSJZQQQY-UHFFFAOYSA-N -1 3 332.347 2.801 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCCc2ccccc2)c(F)c1 ZINC000610082135 480235126 /nfs/dbraw/zinc/23/51/26/480235126.db2.gz JJBNZARTJUFTBB-UHFFFAOYSA-N -1 3 332.400 2.999 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000610082288 480235152 /nfs/dbraw/zinc/23/51/52/480235152.db2.gz GFKNPWWRHARTOM-UHFFFAOYSA-N -1 3 332.400 2.953 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2Cl)c(F)c1 ZINC000610084094 480235391 /nfs/dbraw/zinc/23/53/91/480235391.db2.gz ISRWFQORJZWPRA-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM C=CCCC(C)(C)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000620861342 480255246 /nfs/dbraw/zinc/25/52/46/480255246.db2.gz MEJLPCJNROBKFX-UHFFFAOYSA-N -1 3 328.409 2.672 20 30 EFEDHM CCN(CC)[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccco1 ZINC000614298464 480258218 /nfs/dbraw/zinc/25/82/18/480258218.db2.gz XVVMJPJLGLVADU-INIZCTEOSA-N -1 3 327.384 2.670 20 30 EFEDHM CC(C)(CNC(=O)c1cc([O-])cc(C#N)c1)N1CCc2ccccc2C1 ZINC000614298485 480258462 /nfs/dbraw/zinc/25/84/62/480258462.db2.gz YKQWLZRDLWPGLO-UHFFFAOYSA-N -1 3 349.434 2.831 20 30 EFEDHM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610265548 480265958 /nfs/dbraw/zinc/26/59/58/480265958.db2.gz SMFVXVYMCZRDRW-IRXDYDNUSA-N -1 3 330.384 2.706 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000610338813 480282279 /nfs/dbraw/zinc/28/22/79/480282279.db2.gz VUCYNQWSKQIJSA-LLVKDONJSA-N -1 3 331.353 2.506 20 30 EFEDHM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(OCCN(C)C)c1 ZINC000614369658 480285999 /nfs/dbraw/zinc/28/59/99/480285999.db2.gz FHONMRAKVVJMSL-UHFFFAOYSA-N -1 3 339.395 2.765 20 30 EFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000626589371 480423551 /nfs/dbraw/zinc/42/35/51/480423551.db2.gz VDPZCXBEVQOUQR-UHFFFAOYSA-N -1 3 341.367 2.961 20 30 EFEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])[C@H]2CCCO2)cc1Cl ZINC000630470957 480731699 /nfs/dbraw/zinc/73/16/99/480731699.db2.gz XPMYLWMAKVXUDT-CABCVRRESA-N -1 3 325.792 2.627 20 30 EFEDHM C=CCOc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000636318208 480904636 /nfs/dbraw/zinc/90/46/36/480904636.db2.gz QBYHHLSSBQZMCF-UHFFFAOYSA-N -1 3 339.395 2.945 20 30 EFEDHM C=CCN(CC=C)[C@@H](C[N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000642515556 481211279 /nfs/dbraw/zinc/21/12/79/481211279.db2.gz LEKLHWIBNNWXOH-INIZCTEOSA-N -1 3 340.464 2.803 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000659802502 481559906 /nfs/dbraw/zinc/55/99/06/481559906.db2.gz XCRRCJISCCBTCF-RRQGHBQHSA-N -1 3 328.412 2.573 20 30 EFEDHM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3nnc4n3CCCCC4)n21 ZINC000651268188 481669834 /nfs/dbraw/zinc/66/98/34/481669834.db2.gz AAVLQWMMTVHHBK-STQMWFEESA-N -1 3 338.415 2.588 20 30 EFEDHM COC(=O)c1cccc2nc(NC(=O)CCc3ccc(C#N)cc3)[n-]c21 ZINC000157780139 534283281 /nfs/dbraw/zinc/28/32/81/534283281.db2.gz OYIAISMNAGNQMH-UHFFFAOYSA-N -1 3 348.362 2.792 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)CCc3ccc(C#N)cc3)nc21 ZINC000157780139 534283284 /nfs/dbraw/zinc/28/32/84/534283284.db2.gz OYIAISMNAGNQMH-UHFFFAOYSA-N -1 3 348.362 2.792 20 30 EFEDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C ZINC000180069300 520302118 /nfs/dbraw/zinc/30/21/18/520302118.db2.gz CIORFXCZFANYSW-AWEZNQCLSA-N -1 3 344.864 2.941 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-][C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000294450218 534574992 /nfs/dbraw/zinc/57/49/92/534574992.db2.gz GWWMPOPVCAAJSO-OCCSQVGLSA-N -1 3 344.308 2.564 20 30 EFEDHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C)c1ccc(C#N)cc1 ZINC000118174090 521748304 /nfs/dbraw/zinc/74/83/04/521748304.db2.gz PATJAOLVZDFNCI-SNVBAGLBSA-N -1 3 329.381 2.590 20 30 EFEDHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156458403 523045143 /nfs/dbraw/zinc/04/51/43/523045143.db2.gz LTWVEXBLNSRFHA-AAEUAGOBSA-N -1 3 337.401 2.714 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000150782898 525404707 /nfs/dbraw/zinc/40/47/07/525404707.db2.gz CVJNRASYOMZVNL-OLZOCXBDSA-N -1 3 329.444 2.833 20 30 EFEDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000231751917 526258952 /nfs/dbraw/zinc/25/89/52/526258952.db2.gz VFCOJAOHWIBLNK-SSDOTTSWSA-N -1 3 326.727 2.831 20 30 EFEDHM C=C(C)COCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000152833747 526641701 /nfs/dbraw/zinc/64/17/01/526641701.db2.gz UHBXXPZBOYBKOZ-UHFFFAOYSA-N -1 3 343.221 2.547 20 30 EFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)sc1C ZINC000180059888 526890101 /nfs/dbraw/zinc/89/01/01/526890101.db2.gz INZPECVWUBRPCI-UHFFFAOYSA-N -1 3 341.845 2.764 20 30 EFEDHM C=CCSCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178664120 526994201 /nfs/dbraw/zinc/99/42/01/526994201.db2.gz MOIJKRXDUIPYKS-UHFFFAOYSA-N -1 3 345.262 2.873 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1noc(-c2ccc(Cl)cc2)n1 ZINC000163634701 527285112 /nfs/dbraw/zinc/28/51/12/527285112.db2.gz MOCSSYXTYRTTGF-UHFFFAOYSA-N -1 3 349.803 2.753 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178348866 527371670 /nfs/dbraw/zinc/37/16/70/527371670.db2.gz JDLURCKVRUTAKT-AWEZNQCLSA-N -1 3 346.427 2.551 20 30 EFEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-n3cnnn3)cc2)n1 ZINC000177775663 528240907 /nfs/dbraw/zinc/24/09/07/528240907.db2.gz NNVLKUKSPGVOCH-CYBMUJFWSA-N -1 3 338.396 2.732 20 30 EFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000421240111 535036529 /nfs/dbraw/zinc/03/65/29/535036529.db2.gz VNVBNAAJGUDQSA-LLVKDONJSA-N -1 3 336.335 2.644 20 30 EFEDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCC1 ZINC000435431012 535611606 /nfs/dbraw/zinc/61/16/06/535611606.db2.gz BDLOPQMJNSTNES-CQSZACIVSA-N -1 3 342.486 2.883 20 30 EFEDHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427763691 535933425 /nfs/dbraw/zinc/93/34/25/535933425.db2.gz JQPKZXBMZAMYSW-UHFFFAOYSA-N -1 3 347.415 2.602 20 30 EFEDHM CC[C@H](C)N[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccco1 ZINC000359543929 536173060 /nfs/dbraw/zinc/17/30/60/536173060.db2.gz NMQRDQSSOHEIEF-WFASDCNBSA-N -1 3 327.384 2.716 20 30 EFEDHM COc1cc(/C=C\C(=O)[N-]OCc2ccccc2)ccc1OCC#N ZINC000211734529 545557717 /nfs/dbraw/zinc/55/77/17/545557717.db2.gz QEMNCVHGWWRJIL-NTMALXAHSA-N -1 3 338.363 2.859 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(Br)ccc1OCCC ZINC000656860428 546953120 /nfs/dbraw/zinc/95/31/20/546953120.db2.gz HVSJWXPEPPZROA-UHFFFAOYSA-N -1 3 334.235 2.702 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000657129032 547039684 /nfs/dbraw/zinc/03/96/84/547039684.db2.gz CZZXENUNYFRGQX-UHFFFAOYSA-N -1 3 333.812 2.883 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2cc(C)c(F)cc2F)CCOCC1 ZINC000657127437 547039805 /nfs/dbraw/zinc/03/98/05/547039805.db2.gz GMXJNQQHUIDQQR-UHFFFAOYSA-N -1 3 331.384 2.677 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4[nH]c(=O)oc4c3)nc1-2 ZINC000674300023 548059669 /nfs/dbraw/zinc/05/96/69/548059669.db2.gz WSIITNDLWPNTKD-JTQLQIEISA-N -1 3 333.307 2.603 20 30 EFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000675035703 548197295 /nfs/dbraw/zinc/19/72/95/548197295.db2.gz 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/nfs/dbraw/zinc/54/41/72/575544172.db2.gz SPFVXOATHARJMO-UHFFFAOYSA-N -1 3 336.638 2.794 20 30 EFEDHM CCCCCCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000755216323 575561235 /nfs/dbraw/zinc/56/12/35/575561235.db2.gz PWMKLIOLRSIGHP-CYBMUJFWSA-N -1 3 346.518 2.892 20 30 EFEDHM Cc1ccc(C)c(S(=O)(=O)NN=Cc2c([O-])cccc2Cl)c1 ZINC000755489011 575591046 /nfs/dbraw/zinc/59/10/46/575591046.db2.gz SREARFWZSHSXHI-UHFFFAOYSA-N -1 3 338.816 2.975 20 30 EFEDHM CCn1c(=O)c2ccccc2nc1NN=Cc1cc(F)ccc1[O-] ZINC000755602969 575606498 /nfs/dbraw/zinc/60/64/98/575606498.db2.gz AXSWNOPHEPUBCK-UHFFFAOYSA-N -1 3 326.331 2.707 20 30 EFEDHM [O-]c1c(Br)cc(O)cc1CN=Nc1nccnc1Cl ZINC000755716211 575622463 /nfs/dbraw/zinc/62/24/63/575622463.db2.gz DLHXAAVEDCHHPD-UHFFFAOYSA-N -1 3 343.568 2.750 20 30 EFEDHM CCN(CC)c1ccnc(N=NCc2n[n-]nc2-c2ccccc2)n1 ZINC000755772180 575630777 /nfs/dbraw/zinc/63/07/77/575630777.db2.gz DVZYNKZAVKXJTO-UHFFFAOYSA-N -1 3 336.403 2.554 20 30 EFEDHM Cc1ncc(CO)c(CN=Nc2nc(C(F)(F)F)cs2)c1[O-] ZINC000755900939 575652028 /nfs/dbraw/zinc/65/20/28/575652028.db2.gz SAYPBZWBRXZUFK-UHFFFAOYSA-N -1 3 332.307 2.509 20 30 EFEDHM C#CCOCCC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000756308644 575714957 /nfs/dbraw/zinc/71/49/57/575714957.db2.gz NMGUCQQVEDAADI-JTQLQIEISA-N -1 3 334.397 2.658 20 30 EFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccccc1 ZINC000756979886 575807467 /nfs/dbraw/zinc/80/74/67/575807467.db2.gz FACYPJDQOZBVDE-CQSZACIVSA-N -1 3 349.433 2.578 20 30 EFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000756979941 575807492 /nfs/dbraw/zinc/80/74/92/575807492.db2.gz GXSWDSUFDSBABK-MRXNPFEDSA-N -1 3 328.368 2.740 20 30 EFEDHM C[C@H](c1ccccc1)N(CC(=O)NCCC#N)Cc1ccccc1[O-] ZINC000757276938 575835903 /nfs/dbraw/zinc/83/59/03/575835903.db2.gz PGNQPILTJLEJSV-MRXNPFEDSA-N -1 3 337.423 2.985 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)c2cc3ccccc3s2)c1[O-] ZINC000757524625 575841477 /nfs/dbraw/zinc/84/14/77/575841477.db2.gz ANWWKDIZHHHIFF-CPIUSTHESA-N -1 3 342.420 2.955 20 30 EFEDHM Cc1cc(NN=Cc2cc(O)c([O-])c(Br)c2)nc(C)n1 ZINC000757576084 575842758 /nfs/dbraw/zinc/84/27/58/575842758.db2.gz DPEIBRGMRRYHCM-UHFFFAOYSA-N -1 3 337.177 2.713 20 30 EFEDHM Cc1cc(N=NCc2cc(O)c([O-])c(Br)c2)nc(C)n1 ZINC000757576084 575842760 /nfs/dbraw/zinc/84/27/60/575842760.db2.gz DPEIBRGMRRYHCM-UHFFFAOYSA-N -1 3 337.177 2.713 20 30 EFEDHM O=C1[N-]c2c(cccc2F)C1=NNc1cncc(Br)c1 ZINC000758123927 575860316 /nfs/dbraw/zinc/86/03/16/575860316.db2.gz ZJDJBQKSLGGVHR-UHFFFAOYSA-N -1 3 335.136 2.752 20 30 EFEDHM COC(=O)[C@@H](OC(=O)c1ccc([O-])cc1C)c1cccc(C#N)c1 ZINC000758546979 575872312 /nfs/dbraw/zinc/87/23/12/575872312.db2.gz OOOHBUZJBBEPCD-INIZCTEOSA-N -1 3 325.320 2.643 20 30 EFEDHM COC1CCC(CC[N-]S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000758606082 575873905 /nfs/dbraw/zinc/87/39/05/575873905.db2.gz HWQCCRMNLVEHNS-UHFFFAOYSA-N -1 3 340.420 2.571 20 30 EFEDHM CCO[C@@H]1COCC[C@@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000758815380 575877825 /nfs/dbraw/zinc/87/78/25/575877825.db2.gz KRIILNLFMVXMMK-UXBRTFHTSA-N -1 3 328.206 2.768 20 30 EFEDHM [O-]c1c(O)ccc(/C=N/CCOc2cccc(C(F)(F)F)n2)c1O ZINC000759035987 575883167 /nfs/dbraw/zinc/88/31/67/575883167.db2.gz NFGFBIKRBGLENY-UFWORHAWSA-N -1 3 342.273 2.715 20 30 EFEDHM C[C@@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000759306562 575888962 /nfs/dbraw/zinc/88/89/62/575888962.db2.gz QDBKMGYQCPLSLU-GFCCVEGCSA-N -1 3 344.392 2.848 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2nnc(-c3ccccc3)s2)c1[O-] ZINC000759643129 575914679 /nfs/dbraw/zinc/91/46/79/575914679.db2.gz LFRFASSNVBPKSI-QGMBQPNBSA-N -1 3 340.408 2.726 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1cc(=O)oc2cc(C)ccc12 ZINC000759718175 575925883 /nfs/dbraw/zinc/92/58/83/575925883.db2.gz TVBJAAYBFKCGEI-UHFFFAOYSA-N -1 3 329.381 2.877 20 30 EFEDHM C=CCN(CC=C)C(=O)c1ccc(NC([O-])=NOCC(F)F)cc1 ZINC000759955325 575961832 /nfs/dbraw/zinc/96/18/32/575961832.db2.gz BKTDXFIYXRPFGH-UHFFFAOYSA-N -1 3 339.342 2.819 20 30 EFEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)[N-]OCC(F)F)cc1 ZINC000759955325 575961836 /nfs/dbraw/zinc/96/18/36/575961836.db2.gz BKTDXFIYXRPFGH-UHFFFAOYSA-N -1 3 339.342 2.819 20 30 EFEDHM CC(C)CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccccn1 ZINC000760253882 575995823 /nfs/dbraw/zinc/99/58/23/575995823.db2.gz OMGVDQPKIMKNST-UHFFFAOYSA-N -1 3 331.441 2.951 20 30 EFEDHM COc1cc(CN=Nc2ncc(F)cn2)cc(Br)c1[O-] ZINC000760255010 575996199 /nfs/dbraw/zinc/99/61/99/575996199.db2.gz PUARETWQJVCMQW-UHFFFAOYSA-N -1 3 341.140 2.538 20 30 EFEDHM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c(Cl)n1 ZINC000760324786 576005320 /nfs/dbraw/zinc/00/53/20/576005320.db2.gz BQDOSMDZIQKHEP-UHFFFAOYSA-N -1 3 337.788 2.725 20 30 EFEDHM N#CCOc1cccc(CC(=O)Nc2n[n-]c(-c3cccs3)n2)c1 ZINC000760351604 576009853 /nfs/dbraw/zinc/00/98/53/576009853.db2.gz DSCJZDLCUSHPHV-UHFFFAOYSA-N -1 3 339.380 2.617 20 30 EFEDHM C=C(Cl)COC(=O)c1ccc(I)c([O-])c1 ZINC000760812305 576076742 /nfs/dbraw/zinc/07/67/42/576076742.db2.gz AXYPDUZOKLTQDL-UHFFFAOYSA-N -1 3 338.528 2.906 20 30 EFEDHM O=C1CCCC(=O)N1Cc1ccc(N=Cc2cccc([O-])c2O)cc1 ZINC000761015620 576101365 /nfs/dbraw/zinc/10/13/65/576101365.db2.gz OWUYGXCCULTPRD-UHFFFAOYSA-N -1 3 338.363 2.888 20 30 EFEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cncnc1 ZINC000761098076 576113388 /nfs/dbraw/zinc/11/33/88/576113388.db2.gz FPMZXXRFHFLPOV-GFCCVEGCSA-N -1 3 348.334 2.752 20 30 EFEDHM CN1CCC(=N[N-]c2ncnc3sc(-c4ccccc4)cc32)C1=O ZINC000761748563 576208248 /nfs/dbraw/zinc/20/82/48/576208248.db2.gz HBTCTTAQQHJUDM-UHFFFAOYSA-N -1 3 337.408 2.988 20 30 EFEDHM CCC(=O)N1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000761787235 576212632 /nfs/dbraw/zinc/21/26/32/576212632.db2.gz VOVZOIOXECQYAT-LUMBYOQCSA-N -1 3 325.206 2.585 20 30 EFEDHM C[C@H]1CC(=NC(=O)c2cc(-c3ccc(Br)cc3)n[n-]2)NO1 ZINC000763258116 576369973 /nfs/dbraw/zinc/36/99/73/576369973.db2.gz GSLKQLHRDJTUNV-QMMMGPOBSA-N -1 3 349.188 2.691 20 30 EFEDHM COc1cccc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)n1 ZINC000764304707 576447055 /nfs/dbraw/zinc/44/70/55/576447055.db2.gz DSJSJVWTSYIPNE-UHFFFAOYSA-N -1 3 332.703 2.776 20 30 EFEDHM CCCCCCCCCCCC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000764512047 576467513 /nfs/dbraw/zinc/46/75/13/576467513.db2.gz JQEUEGUPVLBNNN-HNNXBMFYSA-N -1 3 337.464 2.670 20 30 EFEDHM CCC(=NNC(=S)NCCc1ccccn1)c1ccc([O-])c(F)c1 ZINC000764689676 576489206 /nfs/dbraw/zinc/48/92/06/576489206.db2.gz GGRBGLGNWDMVNB-UHFFFAOYSA-N -1 3 346.431 2.747 20 30 EFEDHM CC(=N[N-]S(C)(=O)=O)c1ccc(OCc2ccccc2C)cc1 ZINC000764706295 576491520 /nfs/dbraw/zinc/49/15/20/576491520.db2.gz ABDHUGGCIRFWIC-UHFFFAOYSA-N -1 3 332.425 2.847 20 30 EFEDHM COc1cc(C=NNc2ncnc3ccsc32)cc([N+](=O)[O-])c1[O-] ZINC000764834907 576509844 /nfs/dbraw/zinc/50/98/44/576509844.db2.gz INYWDOYDPPLAFV-UHFFFAOYSA-N -1 3 345.340 2.760 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCc3cn(C(C)C)nc32)c1[O-] ZINC000764887508 576518093 /nfs/dbraw/zinc/51/80/93/576518093.db2.gz NLZDMRNSGDICRY-MTRWVZMLSA-N -1 3 328.416 2.862 20 30 EFEDHM CC#CCCOC(=O)c1cccc(I)c1[O-] ZINC000765507954 577048350 /nfs/dbraw/zinc/04/83/50/577048350.db2.gz LFELCCPYYCILSD-UHFFFAOYSA-N -1 3 330.121 2.567 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C2CC(OCc3ccccc3)C2)c1[O-] ZINC000766008407 577097991 /nfs/dbraw/zinc/09/79/91/577097991.db2.gz GTODAEOUJDYJQZ-UFFVCSGVSA-N -1 3 326.396 2.755 20 30 EFEDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)C1(C)C ZINC000766081964 577105196 /nfs/dbraw/zinc/10/51/96/577105196.db2.gz VYXUDQGOIDYHIC-CABCVRRESA-N -1 3 340.420 2.568 20 30 EFEDHM N#CCOc1ccc(COC(=O)c2ccc3c(C=O)n[n-]c3c2)cc1 ZINC000766183876 577118325 /nfs/dbraw/zinc/11/83/25/577118325.db2.gz GWTIQKMQNYZBJP-UHFFFAOYSA-N -1 3 335.319 2.635 20 30 EFEDHM N#CCOc1ccc(COC(=O)c2ccc3c(C=O)[n-]nc3c2)cc1 ZINC000766183876 577118327 /nfs/dbraw/zinc/11/83/27/577118327.db2.gz GWTIQKMQNYZBJP-UHFFFAOYSA-N -1 3 335.319 2.635 20 30 EFEDHM Fc1ccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)c(Br)c1 ZINC000767774748 577233427 /nfs/dbraw/zinc/23/34/27/577233427.db2.gz AOCXUMDGKSIXNN-UHFFFAOYSA-N -1 3 335.140 2.701 20 30 EFEDHM COc1cccc([O-])c1CN1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000768137751 577257100 /nfs/dbraw/zinc/25/71/00/577257100.db2.gz NVZMVWRPWKJYBA-QGZVFWFLSA-N -1 3 337.423 2.611 20 30 EFEDHM CC1(C)c2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)ccc2NC1=O ZINC000768763473 577299623 /nfs/dbraw/zinc/29/96/23/577299623.db2.gz OICXSWGDFVHCPL-AWEZNQCLSA-N -1 3 347.374 2.877 20 30 EFEDHM N#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000737675436 577330225 /nfs/dbraw/zinc/33/02/25/577330225.db2.gz PDITZPBWQHTVOO-CQSZACIVSA-N -1 3 338.758 2.515 20 30 EFEDHM N#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000737675436 577330228 /nfs/dbraw/zinc/33/02/28/577330228.db2.gz PDITZPBWQHTVOO-CQSZACIVSA-N -1 3 338.758 2.515 20 30 EFEDHM COc1ccc2c(c1)nc(C/N=C\c1c([O-])cccc1OC)n2C ZINC000769718872 577380947 /nfs/dbraw/zinc/38/09/47/577380947.db2.gz VRTIBLFXNOBILV-GRSHGNNSSA-N -1 3 325.368 2.915 20 30 EFEDHM COC(=O)c1ccc([O-])c(C=NNc2ncnc3sccc32)c1 ZINC000726737072 577382000 /nfs/dbraw/zinc/38/20/00/577382000.db2.gz GXYRNTMFNJFJOA-UHFFFAOYSA-N -1 3 328.353 2.630 20 30 EFEDHM CCc1ccc([O-])c(C(=O)N[C@H](C#N)c2cccc(OC)c2OC)c1 ZINC000769768572 577383969 /nfs/dbraw/zinc/38/39/69/577383969.db2.gz MTHGSAXDFWJJHQ-OAHLLOKOSA-N -1 3 340.379 2.966 20 30 EFEDHM N#CCCN(C(=O)c1cc2c(cc1[O-])OCO2)c1ccc(F)cc1 ZINC000769786792 577384884 /nfs/dbraw/zinc/38/48/84/577384884.db2.gz UIINZLFYSXRNJZ-UHFFFAOYSA-N -1 3 328.299 2.820 20 30 EFEDHM O=C1[N-]c2c(cccc2F)C1=NNc1ccnc(Br)c1 ZINC000769804070 577386296 /nfs/dbraw/zinc/38/62/96/577386296.db2.gz HFRKEJZIFGDXCK-UHFFFAOYSA-N -1 3 335.136 2.752 20 30 EFEDHM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1cccc(C#N)c1 ZINC000769806728 577386726 /nfs/dbraw/zinc/38/67/26/577386726.db2.gz BNZKSDZBGQHARS-UHFFFAOYSA-N -1 3 349.398 2.995 20 30 EFEDHM Cn1ncc2c1nc(N=NCc1c[nH]c3cc(Cl)ccc13)[n-]c2=O ZINC000769819596 577387865 /nfs/dbraw/zinc/38/78/65/577387865.db2.gz NYYYSOQURKTUNA-UHFFFAOYSA-N -1 3 341.762 2.650 20 30 EFEDHM COc1cc(C=NNc2ccc(F)c([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC000769831264 577388231 /nfs/dbraw/zinc/38/82/31/577388231.db2.gz WYHORQMKKZFJJN-UHFFFAOYSA-N -1 3 335.291 2.903 20 30 EFEDHM C#C[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000770364203 577413004 /nfs/dbraw/zinc/41/30/04/577413004.db2.gz KXSDHDIJPDEPDP-SECBINFHSA-N -1 3 326.830 2.764 20 30 EFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000770390973 577414825 /nfs/dbraw/zinc/41/48/25/577414825.db2.gz PHXABJPUIFRLSY-SNVBAGLBSA-N -1 3 330.793 2.637 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000770393820 577415204 /nfs/dbraw/zinc/41/52/04/577415204.db2.gz QYBCRFSMQNSADF-JTQLQIEISA-N -1 3 334.210 2.668 20 30 EFEDHM CN1CCN(c2ccc(/C=C/C(=O)c3cc(O)ccc3[O-])cc2)CC1 ZINC000771525613 581220508 /nfs/dbraw/zinc/22/05/08/581220508.db2.gz RNWOHWRVNBONAH-XBXARRHUSA-N -1 3 338.407 2.746 20 30 EFEDHM COc1cccc([O-])c1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000771934881 581261534 /nfs/dbraw/zinc/26/15/34/581261534.db2.gz FJTBEAYKOHRJTA-SFHVURJKSA-N -1 3 337.423 2.783 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c1 ZINC000772395420 581318682 /nfs/dbraw/zinc/31/86/82/581318682.db2.gz AMOPBFMSGDITOI-MRVPVSSYSA-N -1 3 339.631 2.684 20 30 EFEDHM CCOc1ccc(/C=N\[C@@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000772801957 581370210 /nfs/dbraw/zinc/37/02/10/581370210.db2.gz JFKQVVFKTIJIKL-HHGUGQKFSA-N -1 3 344.333 2.763 20 30 EFEDHM COc1c([O-])c(C=NNc2ncnc3sccc32)ccc1[N+](=O)[O-] ZINC000773024339 581388918 /nfs/dbraw/zinc/38/89/18/581388918.db2.gz HXLHICOCGPUJGI-UHFFFAOYSA-N -1 3 345.340 2.760 20 30 EFEDHM COc1c([O-])c(C=NN=c2nc[nH]c3sccc32)ccc1[N+](=O)[O-] ZINC000773024339 581388919 /nfs/dbraw/zinc/38/89/19/581388919.db2.gz HXLHICOCGPUJGI-UHFFFAOYSA-N -1 3 345.340 2.760 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000773054391 581391268 /nfs/dbraw/zinc/39/12/68/581391268.db2.gz KENIHKVPBPAJFA-UONOGXRCSA-N -1 3 348.251 2.594 20 30 EFEDHM COc1cc(CN=Nc2nccnc2C(C)C)cc([N+](=O)[O-])c1[O-] ZINC000773091119 581395916 /nfs/dbraw/zinc/39/59/16/581395916.db2.gz NNBLASYPGQUDBR-UHFFFAOYSA-N -1 3 331.332 2.668 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1C1CC1 ZINC000774055390 581480724 /nfs/dbraw/zinc/48/07/24/581480724.db2.gz UNQLVAIANXEJGY-HNNXBMFYSA-N -1 3 335.363 2.929 20 30 EFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1ccc(F)cc1F ZINC000774309193 581489311 /nfs/dbraw/zinc/48/93/11/581489311.db2.gz DDPFDWDTLAZLLZ-UHFFFAOYSA-N -1 3 336.229 2.780 20 30 EFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNCCCc1ccccc1 ZINC000774384364 581490605 /nfs/dbraw/zinc/49/06/05/581490605.db2.gz FELCAEQAFIWGEN-UHFFFAOYSA-N -1 3 342.330 2.613 20 30 EFEDHM Cc1ccc(F)c(NN=C2C(=O)[N-]c3c2cc([N+](=O)[O-])cc3F)c1 ZINC000774388890 581490690 /nfs/dbraw/zinc/49/06/90/581490690.db2.gz SKWDLMMVQFYXNH-UHFFFAOYSA-N -1 3 332.266 2.950 20 30 EFEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000735580328 598916263 /nfs/dbraw/zinc/91/62/63/598916263.db2.gz BOYNYEHKKPQGDA-UHFFFAOYSA-N -1 3 332.367 2.655 20 30 EFEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000735580328 598916265 /nfs/dbraw/zinc/91/62/65/598916265.db2.gz BOYNYEHKKPQGDA-UHFFFAOYSA-N -1 3 332.367 2.655 20 30 EFEDHM N#Cc1cc(NC(=O)CCCc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737704088 598919191 /nfs/dbraw/zinc/91/91/91/598919191.db2.gz GZDABVIAAKWLQW-UHFFFAOYSA-N -1 3 332.367 2.700 20 30 EFEDHM N#Cc1cc(NC(=O)CCCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000737704088 598919192 /nfs/dbraw/zinc/91/91/92/598919192.db2.gz GZDABVIAAKWLQW-UHFFFAOYSA-N -1 3 332.367 2.700 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccc1-c1nnn[n-]1 ZINC000737704473 598922878 /nfs/dbraw/zinc/92/28/78/598922878.db2.gz JAQLNQRNTSWJJQ-HOTGVXAUSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccc1-c1nn[n-]n1 ZINC000737704473 598922880 /nfs/dbraw/zinc/92/28/80/598922880.db2.gz JAQLNQRNTSWJJQ-HOTGVXAUSA-N -1 3 348.341 2.620 20 30 EFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1OCC1CC1 ZINC000819718303 607252956 /nfs/dbraw/zinc/25/29/56/607252956.db2.gz FHHBRGUEBQVAKM-UHFFFAOYSA-N -1 3 348.410 2.779 20 30 EFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1OCC1CC1 ZINC000819718303 607252957 /nfs/dbraw/zinc/25/29/57/607252957.db2.gz FHHBRGUEBQVAKM-UHFFFAOYSA-N -1 3 348.410 2.779 20 30 EFEDHM N#Cc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000737719245 598941812 /nfs/dbraw/zinc/94/18/12/598941812.db2.gz RTFDEPJROBBRPW-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM N#Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000737719245 598941814 /nfs/dbraw/zinc/94/18/14/598941814.db2.gz RTFDEPJROBBRPW-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM c1ccc2c(c1)OCCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823802028 607254888 /nfs/dbraw/zinc/25/48/88/607254888.db2.gz FSIMHQSMGMOETC-UHFFFAOYSA-N -1 3 334.383 2.533 20 30 EFEDHM c1ccc2c(c1)OCCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823802028 607254889 /nfs/dbraw/zinc/25/48/89/607254889.db2.gz FSIMHQSMGMOETC-UHFFFAOYSA-N -1 3 334.383 2.533 20 30 EFEDHM N#Cc1cnc(NCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC000822842627 599071004 /nfs/dbraw/zinc/07/10/04/599071004.db2.gz QYBJUSCTNGFMEE-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM N#Cc1cnc(NCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000822842627 599071007 /nfs/dbraw/zinc/07/10/07/599071007.db2.gz QYBJUSCTNGFMEE-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3ncccc32)ccc1-c1nnn[n-]1 ZINC000737709267 599200533 /nfs/dbraw/zinc/20/05/33/599200533.db2.gz MEVMVRCUFUFRFU-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3ncccc32)ccc1-c1nn[n-]n1 ZINC000737709267 599200535 /nfs/dbraw/zinc/20/05/35/599200535.db2.gz MEVMVRCUFUFRFU-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379760 599243294 /nfs/dbraw/zinc/24/32/94/599243294.db2.gz GKSUJEFCKSPWFP-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379760 599243296 /nfs/dbraw/zinc/24/32/96/599243296.db2.gz GKSUJEFCKSPWFP-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C=CCC[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823894370 607779844 /nfs/dbraw/zinc/77/98/44/607779844.db2.gz OKWQWHQVENQOJK-DOMZBBRYSA-N -1 3 342.399 2.922 20 30 EFEDHM C=CCC[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823894370 607779845 /nfs/dbraw/zinc/77/98/45/607779845.db2.gz OKWQWHQVENQOJK-DOMZBBRYSA-N -1 3 342.399 2.922 20 30 EFEDHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000736140172 598391780 /nfs/dbraw/zinc/39/17/80/598391780.db2.gz ZJJOEXHXSYFPRD-VIFPVBQESA-N -1 3 325.763 2.960 20 30 EFEDHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000736140172 598391782 /nfs/dbraw/zinc/39/17/82/598391782.db2.gz ZJJOEXHXSYFPRD-VIFPVBQESA-N -1 3 325.763 2.960 20 30 EFEDHM C[C@H](C#N)Oc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735503710 598496426 /nfs/dbraw/zinc/49/64/26/598496426.db2.gz LOKJRVXJUJLVDZ-GFCCVEGCSA-N -1 3 333.355 2.604 20 30 EFEDHM C[C@H](C#N)Oc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735503710 598496427 /nfs/dbraw/zinc/49/64/27/598496427.db2.gz LOKJRVXJUJLVDZ-GFCCVEGCSA-N -1 3 333.355 2.604 20 30 EFEDHM C=CCOc1ccccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735435972 598585770 /nfs/dbraw/zinc/58/57/70/598585770.db2.gz CISLVYADWNMFBG-UHFFFAOYSA-N -1 3 339.330 2.823 20 30 EFEDHM C=CCOc1ccccc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735435972 598585772 /nfs/dbraw/zinc/58/57/72/598585772.db2.gz CISLVYADWNMFBG-UHFFFAOYSA-N -1 3 339.330 2.823 20 30 EFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735505880 598625098 /nfs/dbraw/zinc/62/50/98/598625098.db2.gz WYZZLJZKOPEIRU-IBGZPJMESA-N -1 3 346.394 2.512 20 30 EFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735505880 598625100 /nfs/dbraw/zinc/62/51/00/598625100.db2.gz WYZZLJZKOPEIRU-IBGZPJMESA-N -1 3 346.394 2.512 20 30 EFEDHM N#CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000737693747 598761615 /nfs/dbraw/zinc/76/16/15/598761615.db2.gz JALNBCFUPNILSC-UHFFFAOYSA-N -1 3 336.374 2.922 20 30 EFEDHM N#CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000737693747 598761616 /nfs/dbraw/zinc/76/16/16/598761616.db2.gz JALNBCFUPNILSC-UHFFFAOYSA-N -1 3 336.374 2.922 20 30 EFEDHM N#Cc1ccc(-c2ccn(Cc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737708374 598802669 /nfs/dbraw/zinc/80/26/69/598802669.db2.gz CUMQUUNAVKXAIN-UHFFFAOYSA-N -1 3 327.351 2.650 20 30 EFEDHM N#Cc1ccc(-c2ccn(Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737708374 598802670 /nfs/dbraw/zinc/80/26/70/598802670.db2.gz CUMQUUNAVKXAIN-UHFFFAOYSA-N -1 3 327.351 2.650 20 30 EFEDHM C[C@@H](CC#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735963759 599566713 /nfs/dbraw/zinc/56/67/13/599566713.db2.gz LWTUAKXDYCTLOE-LBPRGKRZSA-N -1 3 347.382 2.642 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(C#N)cc1F ZINC000826251998 607390397 /nfs/dbraw/zinc/39/03/97/607390397.db2.gz JUUHTOTYCFRHCY-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(C#N)cc1F ZINC000826251998 607390399 /nfs/dbraw/zinc/39/03/99/607390399.db2.gz JUUHTOTYCFRHCY-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)[O-])cc1 ZINC000736890416 599798355 /nfs/dbraw/zinc/79/83/55/599798355.db2.gz APHBDLJVDITYHT-IUODEOHRSA-N -1 3 345.399 2.895 20 30 EFEDHM N#CC(C(=O)CCCNC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000739074085 599798718 /nfs/dbraw/zinc/79/87/18/599798718.db2.gz GWUBNNPJHZKQAP-SECBINFHSA-N -1 3 336.298 2.655 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000826251861 607402664 /nfs/dbraw/zinc/40/26/64/607402664.db2.gz DMJJQHCRPFEHII-HNNXBMFYSA-N -1 3 347.378 2.714 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC[C@H](C#N)Cc1ccccc1 ZINC000826251861 607402665 /nfs/dbraw/zinc/40/26/65/607402665.db2.gz DMJJQHCRPFEHII-HNNXBMFYSA-N -1 3 347.378 2.714 20 30 EFEDHM C=CCN1CCC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736106396 599999172 /nfs/dbraw/zinc/99/91/72/599999172.db2.gz CHTQDSGCCGAHJA-XQRVVYSFSA-N -1 3 331.372 2.755 20 30 EFEDHM N#CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381291 607429312 /nfs/dbraw/zinc/42/93/12/607429312.db2.gz FYKPQGJOXCLXKV-INIZCTEOSA-N -1 3 332.367 2.642 20 30 EFEDHM N#CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381291 607429313 /nfs/dbraw/zinc/42/93/13/607429313.db2.gz FYKPQGJOXCLXKV-INIZCTEOSA-N -1 3 332.367 2.642 20 30 EFEDHM C=CCN1CCC(NC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000736107058 600281776 /nfs/dbraw/zinc/28/17/76/600281776.db2.gz QIFKYKRJXUDRLY-UHFFFAOYSA-N -1 3 337.807 2.810 20 30 EFEDHM N#CCOc1ccc(Cl)cc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000739088906 600320324 /nfs/dbraw/zinc/32/03/24/600320324.db2.gz WSHYBKDXVPZNKS-CQSZACIVSA-N -1 3 334.803 2.929 20 30 EFEDHM CC(=O)Nc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736167899 600591978 /nfs/dbraw/zinc/59/19/78/600591978.db2.gz ODVNGXQGOWLSGX-XIKOKIGWSA-N -1 3 337.379 2.993 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000736662286 600594242 /nfs/dbraw/zinc/59/42/42/600594242.db2.gz NHKWGNZKTLTFTD-HXPMCKFVSA-N -1 3 349.390 2.919 20 30 EFEDHM N#Cc1ccc([C@H](NCc2ccccc2-n2cccn2)C(=O)[O-])cc1 ZINC000739104517 600596705 /nfs/dbraw/zinc/59/67/05/600596705.db2.gz BHYOWKDNSJTJAW-SFHVURJKSA-N -1 3 332.363 2.659 20 30 EFEDHM COCc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000737830283 600598519 /nfs/dbraw/zinc/59/85/19/600598519.db2.gz XEDGVQIXYRYSHH-KRWDZBQOSA-N -1 3 328.343 2.759 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000825642296 601138547 /nfs/dbraw/zinc/13/85/47/601138547.db2.gz NKYPKZGQKUYCPM-UHFFFAOYSA-N -1 3 331.416 2.855 20 30 EFEDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1O ZINC000832310731 601320601 /nfs/dbraw/zinc/32/06/01/601320601.db2.gz FZUGSACBDWJZJS-KRWDZBQOSA-N -1 3 326.352 2.530 20 30 EFEDHM C[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C#N ZINC000824714009 607807054 /nfs/dbraw/zinc/80/70/54/607807054.db2.gz LXFCKULHMGKMIA-LLVKDONJSA-N -1 3 345.428 2.581 20 30 EFEDHM C=CCc1cc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc(OC)c1O ZINC000833379514 604649424 /nfs/dbraw/zinc/64/94/24/604649424.db2.gz DRERYOJIDZDQCR-OAHLLOKOSA-N -1 3 331.412 2.816 20 30 EFEDHM C[C@@H](Oc1ccc(CNCc2ccc(OCC#N)cc2)cc1)C(=O)[O-] ZINC000833541337 605093819 /nfs/dbraw/zinc/09/38/19/605093819.db2.gz QFEVBZJICIPIEJ-CQSZACIVSA-N -1 3 340.379 2.731 20 30 EFEDHM C=CCC[C@@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000833373049 605144597 /nfs/dbraw/zinc/14/45/97/605144597.db2.gz DNSNKLGZVLVVAT-QGZVFWFLSA-N -1 3 330.428 2.607 20 30 EFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#Cc1ccccc1 ZINC000821099778 606136642 /nfs/dbraw/zinc/13/66/42/606136642.db2.gz NSZRVWUCPBQPBX-UHFFFAOYSA-N -1 3 345.406 2.657 20 30 EFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#Cc1ccccc1 ZINC000821099778 606136643 /nfs/dbraw/zinc/13/66/43/606136643.db2.gz NSZRVWUCPBQPBX-UHFFFAOYSA-N -1 3 345.406 2.657 20 30 EFEDHM N#Cc1cc2ccccc2nc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822823633 606222464 /nfs/dbraw/zinc/22/24/64/606222464.db2.gz VKJAXASEIWIMRK-UHFFFAOYSA-N -1 3 327.351 2.899 20 30 EFEDHM N#Cc1cc2ccccc2nc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822823633 606222466 /nfs/dbraw/zinc/22/24/66/606222466.db2.gz VKJAXASEIWIMRK-UHFFFAOYSA-N -1 3 327.351 2.899 20 30 EFEDHM O=[N+]([O-])c1cc(Cl)ccc1N=NCc1ccc(-c2nnn[n-]2)s1 ZINC000823635344 606371532 /nfs/dbraw/zinc/37/15/32/606371532.db2.gz WFITUDBZSIOCFZ-UHFFFAOYSA-N -1 3 349.763 2.936 20 30 EFEDHM O=[N+]([O-])c1cc(Cl)ccc1N=NCc1ccc(-c2nn[n-]n2)s1 ZINC000823635344 606371534 /nfs/dbraw/zinc/37/15/34/606371534.db2.gz WFITUDBZSIOCFZ-UHFFFAOYSA-N -1 3 349.763 2.936 20 30 EFEDHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(C#N)c1C ZINC000822563749 606478891 /nfs/dbraw/zinc/47/88/91/606478891.db2.gz NGASOXFBIMTTTG-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(C#N)c1C ZINC000822563749 606478892 /nfs/dbraw/zinc/47/88/92/606478892.db2.gz NGASOXFBIMTTTG-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1C#N ZINC000821465042 606506066 /nfs/dbraw/zinc/50/60/66/606506066.db2.gz AFOLDVXRMAKANY-UHFFFAOYSA-N -1 3 344.425 2.985 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1C#N ZINC000821465042 606506064 /nfs/dbraw/zinc/50/60/64/606506064.db2.gz AFOLDVXRMAKANY-UHFFFAOYSA-N -1 3 344.425 2.985 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CC)CC1 ZINC000819744142 606587274 /nfs/dbraw/zinc/58/72/74/606587274.db2.gz XUQRWDCTGWCKJH-UHFFFAOYSA-N -1 3 340.431 2.755 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CC)CC1 ZINC000819744142 606587276 /nfs/dbraw/zinc/58/72/76/606587276.db2.gz XUQRWDCTGWCKJH-UHFFFAOYSA-N -1 3 340.431 2.755 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C)CCC1 ZINC000819744080 606587330 /nfs/dbraw/zinc/58/73/30/606587330.db2.gz VPCAUDBHSZDGCA-UHFFFAOYSA-N -1 3 340.431 2.755 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C)CCC1 ZINC000819744080 606587331 /nfs/dbraw/zinc/58/73/31/606587331.db2.gz VPCAUDBHSZDGCA-UHFFFAOYSA-N -1 3 340.431 2.755 20 30 EFEDHM N#Cc1ccc(COc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000822825436 606589531 /nfs/dbraw/zinc/58/95/31/606589531.db2.gz FTZWYALCFBTWEU-UHFFFAOYSA-N -1 3 343.293 2.919 20 30 EFEDHM N#Cc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822830129 607190223 /nfs/dbraw/zinc/19/02/23/607190223.db2.gz VKLKXDPHEYXMBY-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822830129 607190224 /nfs/dbraw/zinc/19/02/24/607190224.db2.gz VKLKXDPHEYXMBY-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000822823531 607241773 /nfs/dbraw/zinc/24/17/73/607241773.db2.gz SIBOTTKMYLZZTM-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000822823531 607241774 /nfs/dbraw/zinc/24/17/74/607241774.db2.gz SIBOTTKMYLZZTM-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM C[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C#N ZINC000824714009 607807053 /nfs/dbraw/zinc/80/70/53/607807053.db2.gz LXFCKULHMGKMIA-LLVKDONJSA-N -1 3 345.428 2.581 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826210686 607883363 /nfs/dbraw/zinc/88/33/63/607883363.db2.gz AFOMEZJNGPBMKJ-VQHVLOKHSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826210686 607883364 /nfs/dbraw/zinc/88/33/64/607883364.db2.gz AFOMEZJNGPBMKJ-VQHVLOKHSA-N -1 3 336.351 2.780 20 30 EFEDHM O=[N+]([O-])c1cc(Cl)ccc1N=NCc1ccccc1-c1nn[n-]n1 ZINC000826497971 607887080 /nfs/dbraw/zinc/88/70/80/607887080.db2.gz BDRWWBOWRSXORF-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM C=C(C)[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)OCC ZINC000823873054 607922918 /nfs/dbraw/zinc/92/29/18/607922918.db2.gz GWTRJFIQFHIRGP-WFASDCNBSA-N -1 3 330.388 2.842 20 30 EFEDHM C=C(C)[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)OCC ZINC000823873054 607922919 /nfs/dbraw/zinc/92/29/19/607922919.db2.gz GWTRJFIQFHIRGP-WFASDCNBSA-N -1 3 330.388 2.842 20 30 EFEDHM C=C(C)[C@@H](CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)OCC ZINC000823873052 607922990 /nfs/dbraw/zinc/92/29/90/607922990.db2.gz GWTRJFIQFHIRGP-IUODEOHRSA-N -1 3 330.388 2.842 20 30 EFEDHM C=C(C)[C@@H](CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)OCC ZINC000823873052 607922991 /nfs/dbraw/zinc/92/29/91/607922991.db2.gz GWTRJFIQFHIRGP-IUODEOHRSA-N -1 3 330.388 2.842 20 30 EFEDHM C=C(C)[C@H](CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823873290 607923853 /nfs/dbraw/zinc/92/38/53/607923853.db2.gz KYITYHOQEKAPRH-DOMZBBRYSA-N -1 3 330.388 2.842 20 30 EFEDHM C=C(C)[C@H](CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873290 607923854 /nfs/dbraw/zinc/92/38/54/607923854.db2.gz KYITYHOQEKAPRH-DOMZBBRYSA-N -1 3 330.388 2.842 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1-c1nnn[n-]1 ZINC000826385381 608308485 /nfs/dbraw/zinc/30/84/85/608308485.db2.gz JOEBKKYCUBGYKP-QGZVFWFLSA-N -1 3 344.378 2.871 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H](c2ccccc2)C2CC2)cc1-c1nn[n-]n1 ZINC000826385381 608308486 /nfs/dbraw/zinc/30/84/86/608308486.db2.gz JOEBKKYCUBGYKP-QGZVFWFLSA-N -1 3 344.378 2.871 20 30 EFEDHM COc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826188000 608536127 /nfs/dbraw/zinc/53/61/27/608536127.db2.gz KQBSNZVXPCXMIG-UHFFFAOYSA-N -1 3 343.778 2.760 20 30 EFEDHM COc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826188000 608536128 /nfs/dbraw/zinc/53/61/28/608536128.db2.gz KQBSNZVXPCXMIG-UHFFFAOYSA-N -1 3 343.778 2.760 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc3[nH]ccc32)n1 ZINC000826350274 608541108 /nfs/dbraw/zinc/54/11/08/608541108.db2.gz OWTUIJMDHSKICR-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc3[nH]ccc32)n1 ZINC000826350274 608541110 /nfs/dbraw/zinc/54/11/10/608541110.db2.gz OWTUIJMDHSKICR-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM C=CCN(Cc1nc2ccccc2[nH]1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914348 608632570 /nfs/dbraw/zinc/63/25/70/608632570.db2.gz GVOAZMSRYRRVBH-UHFFFAOYSA-N -1 3 345.410 2.931 20 30 EFEDHM C=CCN(Cc1nc2ccccc2[nH]1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914348 608632571 /nfs/dbraw/zinc/63/25/71/608632571.db2.gz GVOAZMSRYRRVBH-UHFFFAOYSA-N -1 3 345.410 2.931 20 30 EFEDHM CC(=NNc1ccnc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963220 609159690 /nfs/dbraw/zinc/15/96/90/609159690.db2.gz YIUWCGLXTSVEQZ-UHFFFAOYSA-N -1 3 347.357 2.812 20 30 EFEDHM CC(=NNc1ccnc2ccccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963220 609159692 /nfs/dbraw/zinc/15/96/92/609159692.db2.gz YIUWCGLXTSVEQZ-UHFFFAOYSA-N -1 3 347.357 2.812 20 30 EFEDHM CC(C)[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCO1 ZINC000824216621 609160807 /nfs/dbraw/zinc/16/08/07/609160807.db2.gz TXKITVCKRBHDFO-NSHDSACASA-N -1 3 335.799 2.518 20 30 EFEDHM CC(C)[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCO1 ZINC000824216621 609160809 /nfs/dbraw/zinc/16/08/09/609160809.db2.gz TXKITVCKRBHDFO-NSHDSACASA-N -1 3 335.799 2.518 20 30 EFEDHM N#CC1(c2ccc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826380576 609246380 /nfs/dbraw/zinc/24/63/80/609246380.db2.gz FTTVXIXXNYUZNA-UHFFFAOYSA-N -1 3 345.362 2.779 20 30 EFEDHM N#CC1(c2ccc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826380576 609246382 /nfs/dbraw/zinc/24/63/82/609246382.db2.gz FTTVXIXXNYUZNA-UHFFFAOYSA-N -1 3 345.362 2.779 20 30 EFEDHM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825879984 609271799 /nfs/dbraw/zinc/27/17/99/609271799.db2.gz UKZRMCDFYADGSF-YHYXMXQVSA-N -1 3 337.358 2.968 20 30 EFEDHM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000825879984 609271800 /nfs/dbraw/zinc/27/18/00/609271800.db2.gz UKZRMCDFYADGSF-YHYXMXQVSA-N -1 3 337.358 2.968 20 30 EFEDHM Cc1nnc(SCc2cc(F)ccc2-c2nnn[n-]2)c(C#N)c1C ZINC000826337624 609306315 /nfs/dbraw/zinc/30/63/15/609306315.db2.gz VCOIJSKVDMJBEN-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nnc(SCc2cc(F)ccc2-c2nn[n-]n2)c(C#N)c1C ZINC000826337624 609306316 /nfs/dbraw/zinc/30/63/16/609306316.db2.gz VCOIJSKVDMJBEN-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM O=[N+]([O-])c1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826499721 609474725 /nfs/dbraw/zinc/47/47/25/609474725.db2.gz UMVWEPIGRBHJMV-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM O=[N+]([O-])c1cccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826499721 609474728 /nfs/dbraw/zinc/47/47/28/609474728.db2.gz UMVWEPIGRBHJMV-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM CC[C@H]1C[C@@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCO1 ZINC000825183439 609519940 /nfs/dbraw/zinc/51/99/40/609519940.db2.gz OQGBFMLJIUGLHX-ONGXEEELSA-N -1 3 335.799 2.518 20 30 EFEDHM CC[C@H]1C[C@@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCO1 ZINC000825183439 609519943 /nfs/dbraw/zinc/51/99/43/609519943.db2.gz OQGBFMLJIUGLHX-ONGXEEELSA-N -1 3 335.799 2.518 20 30 EFEDHM CC(=NNc1ccc2n[nH]cc2c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958851 609521095 /nfs/dbraw/zinc/52/10/95/609521095.db2.gz ZCSWICZXMCJVQQ-UHFFFAOYSA-N -1 3 336.334 2.718 20 30 EFEDHM CC(=NNc1ccc2n[nH]cc2c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958851 609521097 /nfs/dbraw/zinc/52/10/97/609521097.db2.gz ZCSWICZXMCJVQQ-UHFFFAOYSA-N -1 3 336.334 2.718 20 30 EFEDHM Cc1ccnc(N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826309979 609566470 /nfs/dbraw/zinc/56/64/70/609566470.db2.gz HZJPVDRIYWBSAY-HZPDHXFCSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1ccnc(N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826309979 609566471 /nfs/dbraw/zinc/56/64/71/609566471.db2.gz HZJPVDRIYWBSAY-HZPDHXFCSA-N -1 3 345.410 2.846 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)c1nccc(C)c1-c1nnn[n-]1 ZINC000825322325 609578020 /nfs/dbraw/zinc/57/80/20/609578020.db2.gz ARFYOLSEKGYJPO-UHFFFAOYSA-N -1 3 333.399 2.858 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)c1nccc(C)c1-c1nn[n-]n1 ZINC000825322325 609578022 /nfs/dbraw/zinc/57/80/22/609578022.db2.gz ARFYOLSEKGYJPO-UHFFFAOYSA-N -1 3 333.399 2.858 20 30 EFEDHM C[C@@]1(CNc2ccc(C#N)nc2)CCN(C(=O)c2ccccc2[O-])C1 ZINC001065389590 1265655313 /nfs/dbraw/zinc/65/53/13/1265655313.db2.gz HFNSJYCTKDDIMV-IBGZPJMESA-N -1 3 336.395 2.623 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000945436724 1253334355 /nfs/dbraw/zinc/33/43/55/1253334355.db2.gz DNJZREBZTPGGLW-ZBFHGGJFSA-N -1 3 344.455 2.961 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000945436723 1253334367 /nfs/dbraw/zinc/33/43/67/1253334367.db2.gz DNJZREBZTPGGLW-HOCLYGCPSA-N -1 3 344.455 2.961 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000945436722 1253334572 /nfs/dbraw/zinc/33/45/72/1253334572.db2.gz DNJZREBZTPGGLW-GOEBONIOSA-N -1 3 344.455 2.961 20 30 EFEDHM C[C@H](Nc1ncccc1C#N)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065656081 1265912294 /nfs/dbraw/zinc/91/22/94/1265912294.db2.gz WTZAISSOIOBYHX-ZFWWWQNUSA-N -1 3 336.395 2.622 20 30 EFEDHM C[C@H](Nc1ccc(C#N)cn1)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065656761 1265914125 /nfs/dbraw/zinc/91/41/25/1265914125.db2.gz JXXSDOCASBAIQF-ZFWWWQNUSA-N -1 3 336.395 2.622 20 30 EFEDHM C=CCC(CC=C)C(=O)NC/C=C\CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107354292 1255653395 /nfs/dbraw/zinc/65/33/95/1255653395.db2.gz ADUNARVXUAJBMM-WAYWQWQTSA-N -1 3 346.387 2.548 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc(Cl)ccn1 ZINC000355744680 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Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000788204396 1276089399 /nfs/dbraw/zinc/08/93/99/1276089399.db2.gz BQSNRZPSCLMUNF-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM Cc1c(Br)c(C)n(N=Cc2ccccc2[O-])c(=O)c1C#N ZINC000788454079 1276177690 /nfs/dbraw/zinc/17/76/90/1276177690.db2.gz NZGLTANGJOCRGV-UHFFFAOYSA-N -1 3 346.184 2.687 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC1CCOCC1 ZINC000789550272 1276809497 /nfs/dbraw/zinc/80/94/97/1276809497.db2.gz GQRWPUQUACHAIL-UHFFFAOYSA-N -1 3 346.427 2.958 20 30 EFEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)ccc1[O-] ZINC000790000304 1277162298 /nfs/dbraw/zinc/16/22/98/1277162298.db2.gz VFYKCUWNRZJGEH-GORDUTHDSA-N -1 3 325.320 2.628 20 30 EFEDHM CC(C)(C#N)CS(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000790017694 1277188317 /nfs/dbraw/zinc/18/83/17/1277188317.db2.gz UNXJROVSQPCMST-CYBMUJFWSA-N -1 3 335.454 2.702 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000820476170 1277188803 /nfs/dbraw/zinc/18/88/03/1277188803.db2.gz 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CCCCN([O-])C(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1 ZINC000900683480 1308523660 /nfs/dbraw/zinc/52/36/60/1308523660.db2.gz YPQLDXYZKFEGQH-UHFFFAOYSA-N -1 3 333.388 2.736 20 30 EFEDHM [O-]/N=C(/c1ccccc1)[C@H](OCCN1CCOCC1)c1ccccc1 ZINC001210206938 1314295484 /nfs/dbraw/zinc/29/54/84/1314295484.db2.gz KVSGUSBHRAEOOO-GOBJLOIFSA-N -1 3 340.423 2.955 20 30 EFEDHM C=C1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccccc3[O-])[C@H]2C)CC1 ZINC001011516385 1310222085 /nfs/dbraw/zinc/22/20/85/1310222085.db2.gz ITRXBSQDWWKOHA-YOEHRIQHSA-N -1 3 342.439 2.858 20 30 EFEDHM Cc1nn(C)c(C(=O)N([O-])Cc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000901369963 1310250284 /nfs/dbraw/zinc/25/02/84/1310250284.db2.gz MGDVTEVXBYAPTR-UHFFFAOYSA-N -1 3 340.339 2.822 20 30 EFEDHM CN1C(=O)CCc2cc(C(=O)N([O-])Cc3ccc(F)cc3)ccc21 ZINC000901373266 1310258372 /nfs/dbraw/zinc/25/83/72/1310258372.db2.gz VMSLOLUBAGTGCI-UHFFFAOYSA-N -1 3 328.343 2.766 20 30 EFEDHM Cc1nn(C(F)F)c(C)c1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374458 1310262617 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CCn1nc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)ccc1=O ZINC000901378250 1310273609 /nfs/dbraw/zinc/27/36/09/1310273609.db2.gz JNRWSVOLCBRZGF-UHFFFAOYSA-N -1 3 342.182 2.602 20 30 EFEDHM NC(=O)c1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nc1 ZINC000901379033 1310274974 /nfs/dbraw/zinc/27/49/74/1310274974.db2.gz UMSLBOGVAOXRIH-UHFFFAOYSA-N -1 3 340.166 2.519 20 30 EFEDHM Cn1c(=O)cccc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379243 1310276007 /nfs/dbraw/zinc/27/60/07/1310276007.db2.gz XVRZKQCVJYQVCX-UHFFFAOYSA-N -1 3 327.167 2.724 20 30 EFEDHM O=C(c1cn(C2CC2)nn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379318 1310276481 /nfs/dbraw/zinc/27/64/81/1310276481.db2.gz ZRADNTMDDXPXAQ-UHFFFAOYSA-N -1 3 327.171 2.951 20 30 EFEDHM CC(C)(C)C(=O)NCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379555 1310277999 /nfs/dbraw/zinc/27/79/99/1310277999.db2.gz HOMKTQAFXCMEAB-UHFFFAOYSA-N -1 3 333.215 2.874 20 30 EFEDHM C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[O-])C2 ZINC001047550432 1310911962 /nfs/dbraw/zinc/91/19/62/1310911962.db2.gz CAWPKEWAEAFLOG-JYJNAYRXSA-N -1 3 342.439 2.858 20 30 EFEDHM C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[O-])C2 ZINC001047550434 1310912038 /nfs/dbraw/zinc/91/20/38/1310912038.db2.gz CAWPKEWAEAFLOG-XHSDSOJGSA-N -1 3 342.439 2.858 20 30 EFEDHM CCC(=NNS(=O)(=O)C(C)C)c1cc(Br)ccc1[O-] ZINC000749746160 1311040386 /nfs/dbraw/zinc/04/03/86/1311040386.db2.gz WRMCGJUBDBWJRW-UHFFFAOYSA-N -1 3 349.250 2.597 20 30 EFEDHM COC[C@@H](O[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1)C(=O)OC ZINC001222341926 1311116681 /nfs/dbraw/zinc/11/66/81/1311116681.db2.gz RMSIXMAKOKKVMT-JAOHICKCSA-N -1 3 343.379 2.811 20 30 EFEDHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1Nc1cccc(F)c1C#N ZINC001067038639 1311138907 /nfs/dbraw/zinc/13/89/07/1311138907.db2.gz SBORFBWRQNZAOO-YVEFUNNKSA-N -1 3 339.370 2.976 20 30 EFEDHM COCCc1nc2cc(N=Cc3ccc(O)c([O-])c3O)ccc2o1 ZINC000753136116 1311166276 /nfs/dbraw/zinc/16/62/76/1311166276.db2.gz CKKSGAHUMYKWJK-UHFFFAOYSA-N -1 3 328.324 2.884 20 30 EFEDHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@@H]3C=CC(=O)C3)nc21 ZINC001223404137 1311256014 /nfs/dbraw/zinc/25/60/14/1311256014.db2.gz QMLVHBMZWCPPLF-PSLIRLAXSA-N -1 3 338.722 2.582 20 30 EFEDHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@@H]3C=CC(=O)C3)[n-]c21 ZINC001223404137 1311256017 /nfs/dbraw/zinc/25/60/17/1311256017.db2.gz QMLVHBMZWCPPLF-PSLIRLAXSA-N -1 3 338.722 2.582 20 30 EFEDHM [O-]/N=C(\O[C@@H]1CCc2nccn2C1)c1ccccc1Br ZINC001223885897 1311315696 /nfs/dbraw/zinc/31/56/96/1311315696.db2.gz QHCKUAWGMSAQBX-BXWLNTHASA-N -1 3 336.189 2.813 20 30 EFEDHM O=C(c1ccccn1)[C@H](O/C(=N\[O-])c1ccccn1)c1ccccn1 ZINC001223976597 1311328183 /nfs/dbraw/zinc/32/81/83/1311328183.db2.gz VMRDEWPVWYMVGT-RTAFMGCNSA-N -1 3 334.335 2.648 20 30 EFEDHM CCCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OCC)n[nH]1 ZINC000113140596 1311466636 /nfs/dbraw/zinc/46/66/36/1311466636.db2.gz SSLMUPQNVTXJPZ-CYBMUJFWSA-N -1 3 340.383 2.722 20 30 EFEDHM CCOC(=O)[C@H](C#N)[N-]c1c(Cl)ccc2c(Cl)ncnc21 ZINC001159331757 1311496388 /nfs/dbraw/zinc/49/63/88/1311496388.db2.gz ATTOVJBJJMLTBP-VIFPVBQESA-N -1 3 325.155 2.804 20 30 EFEDHM N#Cc1ccnc(N2CCC(Oc3ccc4c([O-])coc4c3)CC2)c1 ZINC001225340750 1311509798 /nfs/dbraw/zinc/50/97/98/1311509798.db2.gz SRDFHVBIBUSRNW-UHFFFAOYSA-N -1 3 335.363 2.576 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2C=CCN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC001225470056 1311528433 /nfs/dbraw/zinc/52/84/33/1311528433.db2.gz PVIZEPALZORMLK-LBPRGKRZSA-N -1 3 331.372 2.522 20 30 EFEDHM C=C[C@@H]1C[C@]1(NC(F)(F)c1cc(Cl)nc(=S)[n-]1)C(=O)OCC ZINC001159802174 1311587287 /nfs/dbraw/zinc/58/72/87/1311587287.db2.gz PDSFYUBNAUDQGA-JMCQJSRRSA-N -1 3 349.790 2.565 20 30 EFEDHM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226115243 1311615346 /nfs/dbraw/zinc/61/53/46/1311615346.db2.gz ZHTPFYLRRVBCLX-WOXMNBNVSA-N -1 3 325.405 2.719 20 30 EFEDHM [O-]/N=C/c1ccnc(O[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)n1 ZINC001226255952 1311637598 /nfs/dbraw/zinc/63/75/98/1311637598.db2.gz MWGGYEZPLINFLO-VTNJTDAWSA-N -1 3 332.791 2.591 20 30 EFEDHM [O-]/N=C/c1ccnc(O[C@@H]2Cc3ccc(Br)cc3C2)n1 ZINC001226254135 1311638176 /nfs/dbraw/zinc/63/81/76/1311638176.db2.gz RZBFAGNAHBWVIF-QOSBVPTNSA-N -1 3 334.173 2.593 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)nc2cc(Cl)ccc21 ZINC001160174643 1311659512 /nfs/dbraw/zinc/65/95/12/1311659512.db2.gz GZAYAMKPGGXCBF-WKEGUHRASA-N -1 3 327.171 2.585 20 30 EFEDHM CSc1ccc(Oc2cc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)ncn2)cc1 ZINC001160176181 1311660234 /nfs/dbraw/zinc/66/02/34/1311660234.db2.gz JMMWSTGMKXYZJL-BONVTDFDSA-N -1 3 346.412 2.639 20 30 EFEDHM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3ccc(=O)[n-]n3)[C@@H]12 ZINC001227092774 1311761154 /nfs/dbraw/zinc/76/11/54/1311761154.db2.gz DQXKQBYALRNMRN-LZLXCTOHSA-N -1 3 342.395 2.938 20 30 EFEDHM C=CCc1c([O-])ccc(C(C)=O)c1OC1CCN(CCOC)CC1 ZINC001227120005 1311764421 /nfs/dbraw/zinc/76/44/21/1311764421.db2.gz CRCINNJXFDPJHK-UHFFFAOYSA-N -1 3 333.428 2.813 20 30 EFEDHM C#C[C@H](Oc1[n-]c(=O)nc2cc(OC)c(OC)cc21)c1ccncc1 ZINC001227283707 1311788577 /nfs/dbraw/zinc/78/85/77/1311788577.db2.gz YEYQFIVVGKXZAC-AWEZNQCLSA-N -1 3 337.335 2.501 20 30 EFEDHM C#C[C@H](C)Oc1cc(OC)cc2c1C(=O)c1c([O-])cc(C)cc1C2=O ZINC001227395096 1311802338 /nfs/dbraw/zinc/80/23/38/1311802338.db2.gz LSXHSXHYDSLSMK-NSHDSACASA-N -1 3 336.343 2.885 20 30 EFEDHM CCOC(=O)C[C@@H](CC#N)Oc1cccc([O-])c1Br ZINC001229139477 1312052487 /nfs/dbraw/zinc/05/24/87/1312052487.db2.gz HJDVTLWDVOWQAZ-SECBINFHSA-N -1 3 328.162 2.769 20 30 EFEDHM N#CCCN1CC(Oc2nc(=S)[n-]c3sc4c(c32)CCCC4)C1 ZINC001229288475 1312072683 /nfs/dbraw/zinc/07/26/83/1312072683.db2.gz SVJSQMYPWDOAIJ-UHFFFAOYSA-N -1 3 346.481 2.835 20 30 EFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000903102302 1312355842 /nfs/dbraw/zinc/35/58/42/1312355842.db2.gz NQXNYNGJIFQYQT-JTQLQIEISA-N -1 3 349.225 2.805 20 30 EFEDHM N#CNC(=Nc1nc2c(cccc2Br)[n-]1)c1ccncc1 ZINC001164514572 1312530937 /nfs/dbraw/zinc/53/09/37/1312530937.db2.gz SLZNNVBQYTUIPU-UHFFFAOYSA-N -1 3 341.172 2.869 20 30 EFEDHM COC(=O)c1ccc(NC(=S)Nc2ccc(C#N)cc2)c([O-])c1 ZINC001245914170 1314548275 /nfs/dbraw/zinc/54/82/75/1314548275.db2.gz LGOKQIJRNOMPQA-UHFFFAOYSA-N -1 3 327.365 2.859 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=S)Nc1c(Cl)cccc1Cl ZINC001246303483 1314607727 /nfs/dbraw/zinc/60/77/27/1314607727.db2.gz MUUZIJOIHIQSMR-RCOVLWMOSA-N -1 3 334.228 2.516 20 30 EFEDHM CCOC(=O)c1ccc(-c2nc(-c3cc(C#N)ccc3F)no2)[n-]1 ZINC001213974955 1314631204 /nfs/dbraw/zinc/63/12/04/1314631204.db2.gz JRVUTLACBPOZFE-UHFFFAOYSA-N -1 3 326.287 2.919 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000119906249 1314735280 /nfs/dbraw/zinc/73/52/80/1314735280.db2.gz ALYRJRRACDGQKN-INIZCTEOSA-N -1 3 348.337 2.973 20 30 EFEDHM C=CCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001053295318 1314811753 /nfs/dbraw/zinc/81/17/53/1314811753.db2.gz YLBYLOFKERYBPB-CABCVRRESA-N -1 3 330.428 2.573 20 30 EFEDHM COc1ncc(Nc2c(C#N)c(CC#N)nn2-c2ccccc2)cc1[O-] ZINC001216207746 1314926690 /nfs/dbraw/zinc/92/66/90/1314926690.db2.gz YMXGTRHJLLHCAV-UHFFFAOYSA-N -1 3 346.350 2.663 20 30 EFEDHM CCOC(=O)[C@@H](C)n1cc([N-]c2onc(C(C)(C)C)c2C#N)cn1 ZINC001216692527 1314994971 /nfs/dbraw/zinc/99/49/71/1314994971.db2.gz RCRGFZNYXFXEPB-SNVBAGLBSA-N -1 3 331.376 2.908 20 30 EFEDHM COC(=O)c1ccc2c(c1)[n-]nc2-c1nc(-c2cccc(C#N)c2)no1 ZINC001217637507 1315095630 /nfs/dbraw/zinc/09/56/30/1315095630.db2.gz QLSBBYBBMIZADQ-UHFFFAOYSA-N -1 3 345.318 2.938 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC001251378358 1315344743 /nfs/dbraw/zinc/34/47/43/1315344743.db2.gz WRYXHGOJLCIONG-UHFFFAOYSA-N -1 3 331.180 2.937 20 30 EFEDHM CN1CCC(C#N)([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)CC1 ZINC001251736792 1315372843 /nfs/dbraw/zinc/37/28/43/1315372843.db2.gz BTVJVBPDVVZFEX-UHFFFAOYSA-N -1 3 327.762 2.536 20 30 EFEDHM CCCCCCCC[C@@H](O)CN=c1nc2[nH][n-]cc-2c(Cl)n1 ZINC001252122914 1315416095 /nfs/dbraw/zinc/41/60/95/1315416095.db2.gz ALFILRCYOSHCMA-LLVKDONJSA-N -1 3 325.844 2.903 20 30 EFEDHM N#Cc1cccnc1N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[O-])C2 ZINC001054798845 1315576774 /nfs/dbraw/zinc/57/67/74/1315576774.db2.gz GGKBAELNXVYFNC-IMJJTQAJSA-N -1 3 348.406 2.764 20 30 EFEDHM C=CCCCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001056238277 1315611363 /nfs/dbraw/zinc/61/13/63/1315611363.db2.gz SSLODGWCYQWDSY-DLBZAZTESA-N -1 3 342.439 2.954 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(Br)o2)c1[O-] ZINC001255413864 1316034534 /nfs/dbraw/zinc/03/45/34/1316034534.db2.gz ULNAVSIABRNVMY-UUASQNMZSA-N -1 3 325.162 2.563 20 30 EFEDHM Cc1ccc(C#N)c(NCC2CC(NC(=O)c3ccccc3[O-])C2)n1 ZINC001067826112 1316060057 /nfs/dbraw/zinc/06/00/57/1316060057.db2.gz NMETVDCMMZKPNS-UHFFFAOYSA-N -1 3 336.395 2.588 20 30 EFEDHM Cc1ccc(C#N)c(N[C@H]2CCN(C(=O)c3ccccc3[O-])[C@H]2C)n1 ZINC001040039710 1316071694 /nfs/dbraw/zinc/07/16/94/1316071694.db2.gz XLZGCNUWSRRUGP-BBRMVZONSA-N -1 3 336.395 2.682 20 30 EFEDHM CC(C)C[C@@](C)(C#N)[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC001258991959 1316199337 /nfs/dbraw/zinc/19/93/37/1316199337.db2.gz UBZONPIELLVRMS-XOKHGSTOSA-N -1 3 340.489 2.630 20 30 EFEDHM N#Cc1cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cs1 ZINC001259083151 1316206642 /nfs/dbraw/zinc/20/66/42/1316206642.db2.gz FAIVSKXSXFFIAS-UHFFFAOYSA-N -1 3 332.328 2.516 20 30 EFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2F)c1 ZINC001259124862 1316212351 /nfs/dbraw/zinc/21/23/51/1316212351.db2.gz VKYBSXQPLXXZPO-UHFFFAOYSA-N -1 3 330.262 2.915 20 30 EFEDHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259124457 1316212473 /nfs/dbraw/zinc/21/24/73/1316212473.db2.gz LZCIOKOTPSVFSZ-UHFFFAOYSA-N -1 3 348.355 2.675 20 30 EFEDHM N#Cc1cccc(S(=O)(=O)[N-][C@@H](c2cccnc2)C(F)(F)F)c1 ZINC001259126514 1316212788 /nfs/dbraw/zinc/21/27/88/1316212788.db2.gz QFJCECVKCCCAAR-ZDUSSCGKSA-N -1 3 341.314 2.535 20 30 EFEDHM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259356283 1316232215 /nfs/dbraw/zinc/23/22/15/1316232215.db2.gz QIKQJJSIEPQTQT-UHFFFAOYSA-N -1 3 328.393 2.856 20 30 EFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1C#N ZINC001259369402 1316234005 /nfs/dbraw/zinc/23/40/05/1316234005.db2.gz AJBYEHNDEYWDHH-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM N#C[C@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccc(F)cc1 ZINC001259399077 1316237427 /nfs/dbraw/zinc/23/74/27/1316237427.db2.gz XIBQAFACQCILJV-AWEZNQCLSA-N -1 3 347.396 2.979 20 30 EFEDHM C=CCC(CC=C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001070443288 1316242266 /nfs/dbraw/zinc/24/22/66/1316242266.db2.gz FAFDOMBAZBAXLB-MRXNPFEDSA-N -1 3 342.439 2.881 20 30 EFEDHM N#Cc1cccc([N-]S(=O)(=O)c2cccnc2)c1Br ZINC001259608408 1316260912 /nfs/dbraw/zinc/26/09/12/1316260912.db2.gz JFQPPBKZFAMVGS-UHFFFAOYSA-N -1 3 338.186 2.517 20 30 EFEDHM N#Cc1nc2ccc([N-]S(=O)(=O)CCC(F)(F)F)cc2s1 ZINC001259872694 1316290381 /nfs/dbraw/zinc/29/03/81/1316290381.db2.gz KHCUFJSUWUXFET-UHFFFAOYSA-N -1 3 335.332 2.862 20 30 EFEDHM CCC(C#N)(CC)[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001260004120 1316304938 /nfs/dbraw/zinc/30/49/38/1316304938.db2.gz RYFSRVKPUDPLGY-UHFFFAOYSA-N -1 3 325.415 2.764 20 30 EFEDHM CC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(F)c1 ZINC001260043716 1316310627 /nfs/dbraw/zinc/31/06/27/1316310627.db2.gz DQNIDVBFHSNTBI-UHFFFAOYSA-N -1 3 332.356 2.842 20 30 EFEDHM N#CC1([N-]S(=O)(=O)Cc2cccc(Cl)c2)Cc2ccccc2C1 ZINC001260839042 1316373548 /nfs/dbraw/zinc/37/35/48/1316373548.db2.gz XIVBZHXUEMFJPZ-UHFFFAOYSA-N -1 3 346.839 2.821 20 30 EFEDHM N#Cc1cncc([N-]S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC001260890077 1316375632 /nfs/dbraw/zinc/37/56/32/1316375632.db2.gz WEYQHBUVORTSSP-UHFFFAOYSA-N -1 3 341.314 2.914 20 30 EFEDHM CC#CC[C@@H](NCc1cc2cnn(C(C)C)c2nc1Cl)C(=O)[O-] ZINC001262164317 1316450490 /nfs/dbraw/zinc/45/04/90/1316450490.db2.gz DQXQNVXGVLSEMD-CYBMUJFWSA-N -1 3 334.807 2.622 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@@H]3CCOC3)n2C)c1[O-] ZINC001262918640 1316503217 /nfs/dbraw/zinc/50/32/17/1316503217.db2.gz UHNFDZQMHUZRKF-AWEZNQCLSA-N -1 3 342.443 2.779 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 ZINC001262962686 1316509123 /nfs/dbraw/zinc/50/91/23/1316509123.db2.gz UEGRKYWOQYVAQD-NEPJUHHUSA-N -1 3 349.460 2.935 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]1CCC ZINC001262987886 1316513360 /nfs/dbraw/zinc/51/33/60/1316513360.db2.gz IEQDHEXUUIZZLA-CYBMUJFWSA-N -1 3 328.420 2.704 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC)[C@H](C)CC ZINC001263286121 1316526978 /nfs/dbraw/zinc/52/69/78/1316526978.db2.gz WQQGEDMYKPPWMM-GFCCVEGCSA-N -1 3 330.436 2.950 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)CCCSC ZINC001263285554 1316526987 /nfs/dbraw/zinc/52/69/87/1316526987.db2.gz JKVKKOCKLTZPTR-UHFFFAOYSA-N -1 3 348.476 2.515 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(CC)CC1 ZINC001263285536 1316527069 /nfs/dbraw/zinc/52/70/69/1316527069.db2.gz IXZLCIKSYWLESA-UHFFFAOYSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@H](SC)C1 ZINC001263323150 1316530541 /nfs/dbraw/zinc/53/05/41/1316530541.db2.gz HSSPZMAWLLXVIN-LBPRGKRZSA-N -1 3 349.460 2.937 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCS[C@@H](CC)C1 ZINC001263323327 1316530584 /nfs/dbraw/zinc/53/05/84/1316530584.db2.gz MYGSVKLCVIVJNR-NSHDSACASA-N -1 3 335.433 2.547 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCS[C@H](CC)C1 ZINC001263323326 1316530781 /nfs/dbraw/zinc/53/07/81/1316530781.db2.gz MYGSVKLCVIVJNR-LLVKDONJSA-N -1 3 335.433 2.547 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(Cl)c2)c1 ZINC001263375748 1316539192 /nfs/dbraw/zinc/53/91/92/1316539192.db2.gz XHJHQONYKFUUHV-CYBMUJFWSA-N -1 3 329.743 2.705 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(C)C ZINC000384462517 1316572630 /nfs/dbraw/zinc/57/26/30/1316572630.db2.gz FZKSDOFXSVLNMX-LLVKDONJSA-N -1 3 334.210 2.524 20 30 EFEDHM N#Cc1ccc(N[C@@H]2C[C@H](NC(=O)c3ccccc3[O-])C23CCC3)cn1 ZINC001041550076 1316586935 /nfs/dbraw/zinc/58/69/35/1316586935.db2.gz VYRWALJZJPJNIG-MSOLQXFVSA-N -1 3 348.406 2.812 20 30 EFEDHM C=CCC1(C(=O)NCc2c(F)cccc2[N-]S(C)(=O)=O)CCC1 ZINC001321027608 1329333052 /nfs/dbraw/zinc/33/30/52/1329333052.db2.gz HNYLBCAWGUNGHS-UHFFFAOYSA-N -1 3 340.420 2.560 20 30 EFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001324439275 1329627534 /nfs/dbraw/zinc/62/75/34/1329627534.db2.gz BZBYFKGBVAVCTD-UHFFFAOYSA-N -1 3 328.743 2.998 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCc3cnn(C(C)C)c32)c1[O-] ZINC001325525950 1329694314 /nfs/dbraw/zinc/69/43/14/1329694314.db2.gz NBKGPMFPQQXIEP-UGNSCYDZSA-N -1 3 328.416 2.862 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCC(F)F)c(C(F)(F)F)c1 ZINC001332336578 1330959439 /nfs/dbraw/zinc/95/94/39/1330959439.db2.gz JRPVLONPCLOVCJ-UHFFFAOYSA-N -1 3 342.289 2.901 20 30 EFEDHM CC#CC[C@@H](NCc1c(Cl)nc2cc(Cl)ccn21)C(=O)[O-] ZINC001334852908 1331317840 /nfs/dbraw/zinc/31/78/40/1331317840.db2.gz JWIILIMUOJICKS-SNVBAGLBSA-N -1 3 326.183 2.597 20 30 EFEDHM C=CC1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1 ZINC001336340381 1331460938 /nfs/dbraw/zinc/46/09/38/1331460938.db2.gz CGEZAFVGMCCZKJ-UHFFFAOYSA-N -1 3 342.848 2.750 20 30 EFEDHM C=C1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1 ZINC001338836277 1331744480 /nfs/dbraw/zinc/74/44/80/1331744480.db2.gz DZWAVSSQSUGTFH-UHFFFAOYSA-N -1 3 328.821 2.504 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001338885821 1331752755 /nfs/dbraw/zinc/75/27/55/1331752755.db2.gz UYIFJPUFNRZHSV-OUCADQQQSA-N -1 3 329.404 2.840 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001338885824 1331752921 /nfs/dbraw/zinc/75/29/21/1331752921.db2.gz UYIFJPUFNRZHSV-SCRDCRAPSA-N -1 3 329.404 2.840 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC(C)(C(C)C)CC1 ZINC001338963793 1331762272 /nfs/dbraw/zinc/76/22/72/1331762272.db2.gz QJBVZZGJRADONM-UHFFFAOYSA-N -1 3 342.447 2.889 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC[C@H]1CC ZINC001339197572 1331815476 /nfs/dbraw/zinc/81/54/76/1331815476.db2.gz SJLSPSRDSKAAFO-CYBMUJFWSA-N -1 3 328.420 2.704 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C)c1[O-] ZINC001340035670 1332130875 /nfs/dbraw/zinc/13/08/75/1332130875.db2.gz KXJJJZAFUPVBBT-OKILXGFUSA-N -1 3 342.443 2.920 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H]1c1ccccc1 ZINC001340343583 1332177928 /nfs/dbraw/zinc/17/79/28/1332177928.db2.gz SAWPWPRQGWIIDF-MRXNPFEDSA-N -1 3 348.410 2.968 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](CC(C)C)C1 ZINC001342150230 1332310280 /nfs/dbraw/zinc/31/02/80/1332310280.db2.gz PUBMMGNXPIBOLO-CQSZACIVSA-N -1 3 342.447 2.889 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1cccc(C)n1 ZINC001342189239 1332315186 /nfs/dbraw/zinc/31/51/86/1332315186.db2.gz QWRXGNHISLYRFG-UHFFFAOYSA-N -1 3 340.387 2.555 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCc2ccccc2C1 ZINC001343733471 1332374092 /nfs/dbraw/zinc/37/40/92/1332374092.db2.gz PACYMHXWEMNWLX-UHFFFAOYSA-N -1 3 337.383 2.778 20 30 EFEDHM C#CCC1(OC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CCC1 ZINC001344595403 1332465927 /nfs/dbraw/zinc/46/59/27/1332465927.db2.gz FXQLKNYNAULGQY-UHFFFAOYSA-N -1 3 341.816 2.814 20 30 EFEDHM C=C[C@H](CC)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001345754393 1332571474 /nfs/dbraw/zinc/57/14/74/1332571474.db2.gz CBHVLWWPQDROBO-OXQOHEQNSA-N -1 3 344.455 2.824 20 30 EFEDHM C=C[C@H](CC)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001345754394 1332571642 /nfs/dbraw/zinc/57/16/42/1332571642.db2.gz CBHVLWWPQDROBO-UZLBHIALSA-N -1 3 344.455 2.824 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](C)CC1 ZINC001346355485 1332629038 /nfs/dbraw/zinc/62/90/38/1332629038.db2.gz KQVJYQREJAOZGD-CYBMUJFWSA-N -1 3 328.420 2.643 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](C)CC1 ZINC001346355486 1332629322 /nfs/dbraw/zinc/62/93/22/1332629322.db2.gz KQVJYQREJAOZGD-ZDUSSCGKSA-N -1 3 328.420 2.643 20 30 EFEDHM CC(C)(C)c1ccc(C2(C(=O)N[C@@H]3CCCN([O-])C3=O)CC2)cc1 ZINC001346478691 1332647182 /nfs/dbraw/zinc/64/71/82/1332647182.db2.gz UTBGHEOIYGUCDX-OAHLLOKOSA-N -1 3 330.428 2.512 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C)c1[O-] ZINC001351291893 1333207615 /nfs/dbraw/zinc/20/76/15/1333207615.db2.gz RQLXANWQVCUATG-SFHVURJKSA-N -1 3 341.390 2.748 20 30 EFEDHM C=CCC[C@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC=C ZINC001352063873 1333369841 /nfs/dbraw/zinc/36/98/41/1333369841.db2.gz WJCPVIDAUGOQCV-AWEZNQCLSA-N -1 3 340.431 2.870 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCCCCC1 ZINC001352062445 1333369987 /nfs/dbraw/zinc/36/99/87/1333369987.db2.gz GYFUVVNLWUVSKW-UHFFFAOYSA-N -1 3 328.420 2.706 20 30 EFEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC ZINC001352305548 1333463709 /nfs/dbraw/zinc/46/37/09/1333463709.db2.gz CPOREPJVBCPRGG-CYBMUJFWSA-N -1 3 328.420 2.704 20 30 EFEDHM N#Cc1cnc(C(=O)[N-]c2c3ccccc3oc2C(N)=O)c(Cl)c1 ZINC001352454118 1333544947 /nfs/dbraw/zinc/54/49/47/1333544947.db2.gz RLXXILTZNZWSTK-UHFFFAOYSA-N -1 3 340.726 2.704 20 30 EFEDHM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)ccc1F ZINC001200510406 1334118793 /nfs/dbraw/zinc/11/87/93/1334118793.db2.gz ZJZJWHKSRAOSFV-UHFFFAOYSA-N -1 3 342.298 2.785 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1NC1CCCCC1 ZINC000848132590 1334344980 /nfs/dbraw/zinc/34/49/80/1334344980.db2.gz NWNWBMHYKXHFKE-MRXNPFEDSA-N -1 3 331.416 2.541 20 30 EFEDHM CCCCCCOc1ccc(CC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848138042 1334349746 /nfs/dbraw/zinc/34/97/46/1334349746.db2.gz JAIVPRJAYSSDPM-KRWDZBQOSA-N -1 3 348.443 2.685 20 30 EFEDHM Cn1c2ccccc2c2cc(C(=O)N[C@H]3CCCN([O-])C3=O)sc21 ZINC000848138717 1334351227 /nfs/dbraw/zinc/35/12/27/1334351227.db2.gz SVUVWARHPXIRQT-LBPRGKRZSA-N -1 3 343.408 2.503 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCCO[C@@H](C)C3)n2C)c1[O-] ZINC001355742570 1334861888 /nfs/dbraw/zinc/86/18/88/1334861888.db2.gz BEMYDSCTOODZRB-AWEZNQCLSA-N -1 3 342.443 2.922 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](CCC)C1 ZINC001355969335 1334921139 /nfs/dbraw/zinc/92/11/39/1334921139.db2.gz SERVKBZDMQXMKC-ZDUSSCGKSA-N -1 3 328.420 2.643 20 30 EFEDHM C#C[C@@H](C)N(C)c1nnc(CCc2cccc(Cl)c2[O-])n1CC ZINC001356267599 1335005589 /nfs/dbraw/zinc/00/55/89/1335005589.db2.gz XYASPHJCPMUEAH-GFCCVEGCSA-N -1 3 332.835 2.900 20 30 EFEDHM C=CCN(CCc1ccccc1)c1nnc(-c2c[n-]oc2=O)n1CC ZINC001356408349 1335032312 /nfs/dbraw/zinc/03/23/12/1335032312.db2.gz NSBKBQTZWAIPKB-UHFFFAOYSA-N -1 3 339.399 2.894 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001356463969 1335040225 /nfs/dbraw/zinc/04/02/25/1335040225.db2.gz VPJPKUUSBVSNQR-PHIMTYICSA-N -1 3 335.433 2.545 20 30 EFEDHM Cc1nc2c(c(=O)[n-]1)CN(c1c(Br)cccc1C#N)C2 ZINC001363727310 1337013471 /nfs/dbraw/zinc/01/34/71/1337013471.db2.gz MSMGXTGWRZHNLM-UHFFFAOYSA-N -1 3 331.173 2.645 20 30 EFEDHM C[C@@H](CN(C)Cc1cc(C#N)ccc1F)NC(=O)c1ccccc1[O-] ZINC001392640941 1356186246 /nfs/dbraw/zinc/18/62/46/1356186246.db2.gz SGUPAAPNPVOSEH-ZDUSSCGKSA-N -1 3 341.386 2.653 20 30 EFEDHM C[C@@H](CN(C)Cc1ccc(C#N)cc1F)NC(=O)c1ccccc1[O-] ZINC001401728658 1363060687 /nfs/dbraw/zinc/06/06/87/1363060687.db2.gz PEMVYHCCMNWCSF-ZDUSSCGKSA-N -1 3 341.386 2.653 20 30 EFEDHM N#CC[C@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001454406532 1393006854 /nfs/dbraw/zinc/00/68/54/1393006854.db2.gz GRNVQLDFWKHMLR-CQSZACIVSA-N -1 3 332.367 2.893 20 30 EFEDHM N#CC[C@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001454406532 1393006860 /nfs/dbraw/zinc/00/68/60/1393006860.db2.gz GRNVQLDFWKHMLR-CQSZACIVSA-N -1 3 332.367 2.893 20 30 EFEDHM Cn1[n-]c(=O)c2c1CN(c1cc(C(F)(F)F)c(F)cc1C#N)CC2 ZINC001548519062 1413635392 /nfs/dbraw/zinc/63/53/92/1413635392.db2.gz ATMQGPAJFTUAIV-UHFFFAOYSA-N -1 3 340.280 2.718 20 30 EFEDHM Cn1nccc1[C@H]1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCC(=O)N1C ZINC001550916626 1413801089 /nfs/dbraw/zinc/80/10/89/1413801089.db2.gz JPKBNHDTSAWBGI-WIHUJCBDSA-N -1 3 346.818 2.560 20 30 EFEDHM CO[C@@H]1C[C@@H](C/N=C/c2cc(Cl)ccc2[O-])N(c2ccncn2)C1 ZINC001551948078 1414290580 /nfs/dbraw/zinc/29/05/80/1414290580.db2.gz NAZRJBKGRYASDF-YKSMNYHFSA-N -1 3 346.818 2.548 20 30 EFEDHM Cn1cc([C@H]2OCCC[C@H]2C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001552305652 1414417621 /nfs/dbraw/zinc/41/76/21/1414417621.db2.gz UDEPSZDQYDOORR-GDBMZVCRSA-N -1 3 349.818 2.959 20 30 EFEDHM Cn1nccc1[C@H]1OCCC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001553255930 1414752874 /nfs/dbraw/zinc/75/28/74/1414752874.db2.gz MGGRNNOVPLPYLQ-CJNGLKHVSA-N -1 3 349.818 2.959 20 30 EFEDHM CN(C)c1ccc(C#N)cc1CNC[C@H](CCC(=O)[O-])C(F)(F)F ZINC001646232688 1416636829 /nfs/dbraw/zinc/63/68/29/1416636829.db2.gz KQFNZXZHROUVBK-ZDUSSCGKSA-N -1 3 343.349 2.757 20 30 EFEDHM C=CCN(Cc1ccc(CO)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823910166 1423600665 /nfs/dbraw/zinc/60/06/65/1423600665.db2.gz YDGKELJZAUAGRG-UHFFFAOYSA-N -1 3 335.411 2.547 20 30 EFEDHM C=CCN(Cc1ccc(CO)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823910166 1423600670 /nfs/dbraw/zinc/60/06/70/1423600670.db2.gz YDGKELJZAUAGRG-UHFFFAOYSA-N -1 3 335.411 2.547 20 30 EFEDHM Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@H]3CCCc4cccc2c43)o1 ZINC000826323050 1427015331 /nfs/dbraw/zinc/01/53/31/1427015331.db2.gz NTIOXEKJMKXNDH-LLVKDONJSA-N -1 3 335.371 2.803 20 30 EFEDHM COc1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C#N ZINC000826201660 1446466951 /nfs/dbraw/zinc/46/69/51/1446466951.db2.gz ANCRNRVSZQUULH-UHFFFAOYSA-N -1 3 346.394 2.526 20 30 EFEDHM COc1ccc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C#N ZINC000826201660 1446466954 /nfs/dbraw/zinc/46/69/54/1446466954.db2.gz ANCRNRVSZQUULH-UHFFFAOYSA-N -1 3 346.394 2.526 20 30 EFEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1OC)C1CCCCC1 ZINC000823845016 1449405279 /nfs/dbraw/zinc/40/52/79/1449405279.db2.gz NBBQJRCKUFMXQT-UHFFFAOYSA-N -1 3 325.416 2.643 20 30 EFEDHM C#CCN(Cc1ccc(-c2nnn[n-]2)cc1OC)C1CCCCC1 ZINC000823845016 1449405285 /nfs/dbraw/zinc/40/52/85/1449405285.db2.gz NBBQJRCKUFMXQT-UHFFFAOYSA-N -1 3 325.416 2.643 20 30 EFEDHM CN(Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000971107497 714362373 /nfs/dbraw/zinc/36/23/73/714362373.db2.gz FICUQQQBCGFPET-ZDUSSCGKSA-N -1 3 341.436 2.672 20 30 EFEDHM N#Cc1c(F)cccc1N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000891707333 714964583 /nfs/dbraw/zinc/96/45/83/714964583.db2.gz RFZDCLRQRFGWQY-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC000975021113 715424092 /nfs/dbraw/zinc/42/40/92/715424092.db2.gz JSZCHRHJULKCPV-KKVAFCGZSA-N -1 3 342.439 2.667 20 30 EFEDHM C=C1CCC(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001059398316 724393806 /nfs/dbraw/zinc/39/38/06/724393806.db2.gz SVJBFIOIJKJUKJ-JOCQHMNTSA-N -1 3 346.387 2.501 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2c(s1)CCCC2 ZINC000125122048 715983835 /nfs/dbraw/zinc/98/38/35/715983835.db2.gz XPACPXXVJNESDM-LBPRGKRZSA-N -1 3 325.393 2.983 20 30 EFEDHM Cc1cnc2c(NC(=O)N[C@H]3CCCN([O-])C3=O)cccc2c1Cl ZINC000888983146 715995456 /nfs/dbraw/zinc/99/54/56/715995456.db2.gz QQFGECISEWGFRF-LBPRGKRZSA-N -1 3 348.790 2.698 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2[O-])C1 ZINC000975909855 716042600 /nfs/dbraw/zinc/04/26/00/716042600.db2.gz DVNSQKLLTNJXCD-OAHLLOKOSA-N -1 3 342.439 2.859 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC000977385756 716149684 /nfs/dbraw/zinc/14/96/84/716149684.db2.gz IAWFLRUZSLTPJD-CQSZACIVSA-N -1 3 330.428 2.667 20 30 EFEDHM Cc1ccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)nn2)cc1 ZINC000128241385 716883484 /nfs/dbraw/zinc/88/34/84/716883484.db2.gz NRZOKCWTPQPISA-INIZCTEOSA-N -1 3 345.362 2.537 20 30 EFEDHM N#Cc1c(Cl)nsc1N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001058832413 717225334 /nfs/dbraw/zinc/22/53/34/717225334.db2.gz PTTQZFXBEXFVRZ-VIFPVBQESA-N -1 3 348.815 2.700 20 30 EFEDHM N#Cc1c(F)cccc1N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001058832449 717225584 /nfs/dbraw/zinc/22/55/84/717225584.db2.gz SBZUXJIWLUVSPR-LBPRGKRZSA-N -1 3 325.343 2.730 20 30 EFEDHM CC1(C)CN(Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000972815464 717356681 /nfs/dbraw/zinc/35/66/81/717356681.db2.gz TUFPNUPMJFCLLA-LJQANCHMSA-N -1 3 349.434 2.904 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(C)n2)cc1 ZINC000177602639 718127453 /nfs/dbraw/zinc/12/74/53/718127453.db2.gz DKYXSPSVMUWQLZ-CQSZACIVSA-N -1 3 340.383 2.513 20 30 EFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cnc([C@@H]2CCCO2)s1 ZINC000330082405 720829982 /nfs/dbraw/zinc/82/99/82/720829982.db2.gz AVSARBMZFVCXRF-LURJTMIESA-N -1 3 347.322 2.636 20 30 EFEDHM COc1cccc2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)oc21 ZINC000126348204 721763593 /nfs/dbraw/zinc/76/35/93/721763593.db2.gz YFCIAMLUZLTAKR-LBPRGKRZSA-N -1 3 335.319 2.798 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000983239792 721932917 /nfs/dbraw/zinc/93/29/17/721932917.db2.gz ZAIBMJWLBAKLAU-LIRRHRJNSA-N -1 3 330.428 2.573 20 30 EFEDHM N#Cc1cnc(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)c(Cl)c1 ZINC001059153595 722661095 /nfs/dbraw/zinc/66/10/95/722661095.db2.gz RKYODGSCNXAOPR-HAQNSBGRSA-N -1 3 342.786 2.685 20 30 EFEDHM N#Cc1sc(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)nc1Cl ZINC001059153645 722661224 /nfs/dbraw/zinc/66/12/24/722661224.db2.gz UZSAMBGUKYFQDV-KYZUINATSA-N -1 3 348.815 2.747 20 30 EFEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)s1 ZINC000140283023 722672955 /nfs/dbraw/zinc/67/29/55/722672955.db2.gz SEJXIRUSQAEPCU-CYBMUJFWSA-N -1 3 343.408 2.984 20 30 EFEDHM CCOc1cccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)c1OC(F)F ZINC000917554419 728759210 /nfs/dbraw/zinc/75/92/10/728759210.db2.gz DRPUVQDCIZYANC-UHFFFAOYSA-N -1 3 348.313 2.799 20 30 EFEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)s1 ZINC000140358371 722678104 /nfs/dbraw/zinc/67/81/04/722678104.db2.gz DTGXFKZXRCUDJW-LLVKDONJSA-N -1 3 343.408 2.984 20 30 EFEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)s1 ZINC000140386433 722679601 /nfs/dbraw/zinc/67/96/01/722679601.db2.gz GRUSTLUYKIZQCC-CYBMUJFWSA-N -1 3 343.408 2.984 20 30 EFEDHM C=CCCCC(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059195550 722886322 /nfs/dbraw/zinc/88/63/22/722886322.db2.gz FRZCQCMCMBTRNF-HNNXBMFYSA-N -1 3 330.428 2.717 20 30 EFEDHM O=C1[C@@H](NCc2cccc(Br)c2Cl)CCCN1[O-] ZINC000895157090 723484378 /nfs/dbraw/zinc/48/43/78/723484378.db2.gz MRFAUQCNGQJHHI-JTQLQIEISA-N -1 3 333.613 2.572 20 30 EFEDHM O=C1[C@H](NCc2csc(-c3ccc(Cl)cc3)n2)CCCN1[O-] ZINC000895165760 723508513 /nfs/dbraw/zinc/50/85/13/723508513.db2.gz MPJKWIFNNRMUQA-CYBMUJFWSA-N -1 3 337.832 2.933 20 30 EFEDHM COc1ccc([C@H](NC(C)C)C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000896821898 723509824 /nfs/dbraw/zinc/50/98/24/723509824.db2.gz XFMKRXIVWZHNLI-SFHVURJKSA-N -1 3 339.395 2.950 20 30 EFEDHM CO[C@@H]1COCC[C@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000840704994 723513169 /nfs/dbraw/zinc/51/31/69/723513169.db2.gz BJKLZBBICNXESE-DNXKIUMKSA-N -1 3 328.206 2.625 20 30 EFEDHM COCCOC1(C/N=C/c2cc(Cl)ccc2[O-])CCOCC1 ZINC000840705980 723553306 /nfs/dbraw/zinc/55/33/06/723553306.db2.gz GSQVWMSFZRIXNL-WOJGMQOQSA-N -1 3 327.808 2.677 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)c1 ZINC000127072015 723598960 /nfs/dbraw/zinc/59/89/60/723598960.db2.gz JOTVTXJYQKPCKN-ZDUSSCGKSA-N -1 3 330.290 2.935 20 30 EFEDHM COc1cc(C(=O)/C=C\c2ccc(S(C)(=O)=O)cc2)ccc1[O-] ZINC000918154744 728846951 /nfs/dbraw/zinc/84/69/51/728846951.db2.gz AEKQWSYNAIVWJN-UITAMQMPSA-N -1 3 332.377 2.700 20 30 EFEDHM O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])C[C@H]2CCCCN12 ZINC000840709979 723896568 /nfs/dbraw/zinc/89/65/68/723896568.db2.gz NFKYAUNVYQYIKB-UMOJFFKJSA-N -1 3 337.217 2.727 20 30 EFEDHM CC(C)(C/N=C/c1cc(Cl)ccc1[O-])[C@@H]1COCC12OCCO2 ZINC000840710438 723932118 /nfs/dbraw/zinc/93/21/18/723932118.db2.gz JKZJHZZIBBJHFQ-UZSVJVCZSA-N -1 3 339.819 2.880 20 30 EFEDHM C#CCCCCC(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001059499097 723958944 /nfs/dbraw/zinc/95/89/44/723958944.db2.gz GRWXNGGZLSWOFN-MRXNPFEDSA-N -1 3 342.439 2.554 20 30 EFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccccc1 ZINC000918486795 728882235 /nfs/dbraw/zinc/88/22/35/728882235.db2.gz FWCYDTOXGCXJAR-MRXNPFEDSA-N -1 3 345.362 2.537 20 30 EFEDHM C=C1CCC(C(=O)N2CC[C@H](NC(=O)c3ccccc3[O-])[C@H]2C)CC1 ZINC000987368935 725678175 /nfs/dbraw/zinc/67/81/75/725678175.db2.gz PQDCJWBMZWDSHP-PBHICJAKSA-N -1 3 342.439 2.858 20 30 EFEDHM C=CC(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC000992612888 726043497 /nfs/dbraw/zinc/04/34/97/726043497.db2.gz QTPHLPZRQPBZRJ-VBKZILBWSA-N -1 3 342.439 2.525 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)c2ccc3ccccc3c2)c1[O-] ZINC000731488299 726879471 /nfs/dbraw/zinc/87/94/71/726879471.db2.gz CXOVDLHANZFYID-GIJPEOLDSA-N -1 3 336.391 2.894 20 30 EFEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1 ZINC000731768458 726931731 /nfs/dbraw/zinc/93/17/31/726931731.db2.gz KPFMZFNNLXJEEK-INIZCTEOSA-N -1 3 345.362 2.537 20 30 EFEDHM NC(=O)c1ccccc1N1CC[C@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000732528998 727145000 /nfs/dbraw/zinc/14/50/00/727145000.db2.gz JPVOQEWFNWMIND-MNUWJXFPSA-N -1 3 343.814 2.842 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1sc2cccc(F)c2c1Cl ZINC000908404002 727179529 /nfs/dbraw/zinc/17/95/29/727179529.db2.gz YEYOEJIXQKEJBY-QMMMGPOBSA-N -1 3 342.779 2.804 20 30 EFEDHM N#Cc1cccnc1NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001060566432 727191115 /nfs/dbraw/zinc/19/11/15/727191115.db2.gz SSESPMVPHBYBKS-UHFFFAOYSA-N -1 3 336.395 2.812 20 30 EFEDHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000908650032 727235098 /nfs/dbraw/zinc/23/50/98/727235098.db2.gz HIXOLLZWQPAAAT-CYBMUJFWSA-N -1 3 333.384 2.549 20 30 EFEDHM C=CCC[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908751080 727256590 /nfs/dbraw/zinc/25/65/90/727256590.db2.gz ISCRQKKXDJSNTK-DLBZAZTESA-N -1 3 345.443 2.542 20 30 EFEDHM N#Cc1ccc(NC[C@@H]2CCCCN2C(=O)c2ccccc2[O-])cn1 ZINC001060203811 727280428 /nfs/dbraw/zinc/28/04/28/727280428.db2.gz QEUNUNGVCLAITK-INIZCTEOSA-N -1 3 336.395 2.766 20 30 EFEDHM C=CCC[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000909718922 727368268 /nfs/dbraw/zinc/36/82/68/727368268.db2.gz USXSJQGLKLIOEQ-RDJZCZTQSA-N -1 3 348.418 2.573 20 30 EFEDHM C=C(Cl)CN1CCC(F)(F)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001046919293 727605903 /nfs/dbraw/zinc/60/59/03/727605903.db2.gz RNWOKDJBJFFLJJ-GFCCVEGCSA-N -1 3 344.789 2.832 20 30 EFEDHM CCCC(=O)Nc1cccc(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000915982284 727645415 /nfs/dbraw/zinc/64/54/15/727645415.db2.gz VVJBQXOXZPRWNM-JAIQZWGSSA-N -1 3 341.411 2.946 20 30 EFEDHM COC[C@H](C)NC(=S)NN=C(C)c1ccc2ccccc2c1[O-] ZINC000916280939 727673239 /nfs/dbraw/zinc/67/32/39/727673239.db2.gz GAWGHDKDHRKBOJ-NSHDSACASA-N -1 3 331.441 2.768 20 30 EFEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccco1 ZINC000916320783 727676910 /nfs/dbraw/zinc/67/69/10/727676910.db2.gz JQHCNEWZHYEHJJ-ZDUSSCGKSA-N -1 3 328.353 2.555 20 30 EFEDHM Cc1ncc(CO)c(C=NNc2ccc(Br)cc2)c1[O-] ZINC000912828012 727749488 /nfs/dbraw/zinc/74/94/88/727749488.db2.gz BZFZZSQXTXDVRX-UHFFFAOYSA-N -1 3 336.189 2.796 20 30 EFEDHM Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000129675994 728033558 /nfs/dbraw/zinc/03/35/58/728033558.db2.gz GDQMOZXPQUNSPO-SNVBAGLBSA-N -1 3 337.166 2.688 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060330535 728285359 /nfs/dbraw/zinc/28/53/59/728285359.db2.gz FCUGBFJUEYGMHK-FOIQADDNSA-N -1 3 344.455 2.963 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C(C)(C)C)c1 ZINC000130003136 728569684 /nfs/dbraw/zinc/56/96/84/728569684.db2.gz SWBKOEMITGGWRN-ZDUSSCGKSA-N -1 3 340.383 2.608 20 30 EFEDHM C=C1CCC(C(=O)NC2CC(CNC(=O)c3ccccc3[O-])C2)CC1 ZINC000991931243 728623385 /nfs/dbraw/zinc/62/33/85/728623385.db2.gz VTSZJFXQNNJISG-UHFFFAOYSA-N -1 3 342.439 2.763 20 30 EFEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000920383266 729178175 /nfs/dbraw/zinc/17/81/75/729178175.db2.gz CHBMBKGHRPCBFN-UHFFFAOYSA-N -1 3 347.396 2.829 20 30 EFEDHM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000181836599 729213332 /nfs/dbraw/zinc/21/33/32/729213332.db2.gz ABZUMGKZOWAAKT-UHFFFAOYSA-N -1 3 326.352 2.574 20 30 EFEDHM CCOc1cc(C#N)ccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821394104 945688360 /nfs/dbraw/zinc/68/83/60/945688360.db2.gz GILGMNYKOWCZEM-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cc(C#N)ccc1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821394104 945688373 /nfs/dbraw/zinc/68/83/73/945688373.db2.gz GILGMNYKOWCZEM-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1Cl ZINC000822175981 945968888 /nfs/dbraw/zinc/96/88/88/945968888.db2.gz CUVNUZUFVYSRMS-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1Cl ZINC000822175981 945968894 /nfs/dbraw/zinc/96/88/94/945968894.db2.gz CUVNUZUFVYSRMS-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Fc1ccc(C(=NNCc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000822766487 946170362 /nfs/dbraw/zinc/17/03/62/946170362.db2.gz KMDNBKYPTAPBOQ-UHFFFAOYSA-N -1 3 336.374 2.910 20 30 EFEDHM Fc1ccc(C(=NNCc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000822766487 946170365 /nfs/dbraw/zinc/17/03/65/946170365.db2.gz KMDNBKYPTAPBOQ-UHFFFAOYSA-N -1 3 336.374 2.910 20 30 EFEDHM O=[N+]([O-])c1ccccc1C=CC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823648284 946461838 /nfs/dbraw/zinc/46/18/38/946461838.db2.gz TXQRENGRESKKDH-CIXSYLBFSA-N -1 3 349.354 2.564 20 30 EFEDHM O=[N+]([O-])c1ccccc1C=CC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823648284 946461844 /nfs/dbraw/zinc/46/18/44/946461844.db2.gz TXQRENGRESKKDH-CIXSYLBFSA-N -1 3 349.354 2.564 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823894560 946505869 /nfs/dbraw/zinc/50/58/69/946505869.db2.gz SXSWBRHLVHQBBC-ZDUSSCGKSA-N -1 3 328.420 2.753 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823894560 946505876 /nfs/dbraw/zinc/50/58/76/946505876.db2.gz SXSWBRHLVHQBBC-ZDUSSCGKSA-N -1 3 328.420 2.753 20 30 EFEDHM C=CCN(CCc1ccco1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823904088 946512957 /nfs/dbraw/zinc/51/29/57/946512957.db2.gz UTCABTLDFQWMCV-KTKRTIGZSA-N -1 3 349.394 2.730 20 30 EFEDHM C=CCN(CCc1ccco1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823904088 946512966 /nfs/dbraw/zinc/51/29/66/946512966.db2.gz UTCABTLDFQWMCV-KTKRTIGZSA-N -1 3 349.394 2.730 20 30 EFEDHM C#Cc1cccc(N(C)CCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC001573290602 946907119 /nfs/dbraw/zinc/90/71/19/946907119.db2.gz MLQNAZJRZHMVAO-UHFFFAOYSA-N -1 3 333.395 2.753 20 30 EFEDHM C#Cc1cccc(N(C)CCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC001573290602 946907128 /nfs/dbraw/zinc/90/71/28/946907128.db2.gz MLQNAZJRZHMVAO-UHFFFAOYSA-N -1 3 333.395 2.753 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001573290608 946908381 /nfs/dbraw/zinc/90/83/81/946908381.db2.gz MRMPAPBNXDTZSG-KRWDZBQOSA-N -1 3 344.378 2.657 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001573290608 946908386 /nfs/dbraw/zinc/90/83/86/946908386.db2.gz MRMPAPBNXDTZSG-KRWDZBQOSA-N -1 3 344.378 2.657 20 30 EFEDHM C#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573291105 946915792 /nfs/dbraw/zinc/91/57/92/946915792.db2.gz WLBXHTIFBXOBDZ-DLBZAZTESA-N -1 3 329.363 2.590 20 30 EFEDHM C#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573291105 946915798 /nfs/dbraw/zinc/91/57/98/946915798.db2.gz WLBXHTIFBXOBDZ-DLBZAZTESA-N -1 3 329.363 2.590 20 30 EFEDHM C=C1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C1 ZINC001573296352 947043679 /nfs/dbraw/zinc/04/36/79/947043679.db2.gz NJXIZDFUTRHKSP-UHFFFAOYSA-N -1 3 333.351 2.671 20 30 EFEDHM C=C1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C1 ZINC001573296352 947043687 /nfs/dbraw/zinc/04/36/87/947043687.db2.gz NJXIZDFUTRHKSP-UHFFFAOYSA-N -1 3 333.351 2.671 20 30 EFEDHM C=CC(C)(C)C(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573304943 947144975 /nfs/dbraw/zinc/14/49/75/947144975.db2.gz JPJWYFNWYXWRID-NSHDSACASA-N -1 3 346.410 2.525 20 30 EFEDHM C=CC(C)(C)C(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573304943 947144981 /nfs/dbraw/zinc/14/49/81/947144981.db2.gz JPJWYFNWYXWRID-NSHDSACASA-N -1 3 346.410 2.525 20 30 EFEDHM C=CC(C)(C)C(=O)NCC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573304940 947146507 /nfs/dbraw/zinc/14/65/07/947146507.db2.gz JPJWYFNWYXWRID-LLVKDONJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=CC(C)(C)C(=O)NCC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573304940 947146517 /nfs/dbraw/zinc/14/65/17/947146517.db2.gz JPJWYFNWYXWRID-LLVKDONJSA-N -1 3 346.410 2.525 20 30 EFEDHM CCc1cnc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000825735393 947304410 /nfs/dbraw/zinc/30/44/10/947304410.db2.gz RWYJJNXQZDUTEU-WAYWQWQTSA-N -1 3 329.360 2.921 20 30 EFEDHM CCc1cnc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000825735393 947304425 /nfs/dbraw/zinc/30/44/25/947304425.db2.gz RWYJJNXQZDUTEU-WAYWQWQTSA-N -1 3 329.360 2.921 20 30 EFEDHM C=CC[C@@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001573318339 947305398 /nfs/dbraw/zinc/30/53/98/947305398.db2.gz ATLRFGIXOIARKK-OAHLLOKOSA-N -1 3 334.383 2.584 20 30 EFEDHM C=CC[C@@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001573318339 947305414 /nfs/dbraw/zinc/30/54/14/947305414.db2.gz ATLRFGIXOIARKK-OAHLLOKOSA-N -1 3 334.383 2.584 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001573329465 947420185 /nfs/dbraw/zinc/42/01/85/947420185.db2.gz KCNWVSNBCRBZSX-WFASDCNBSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001573329465 947420190 /nfs/dbraw/zinc/42/01/90/947420190.db2.gz KCNWVSNBCRBZSX-WFASDCNBSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001573329461 947421510 /nfs/dbraw/zinc/42/15/10/947421510.db2.gz KCNWVSNBCRBZSX-IUODEOHRSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001573329461 947421516 /nfs/dbraw/zinc/42/15/16/947421516.db2.gz KCNWVSNBCRBZSX-IUODEOHRSA-N -1 3 341.415 2.740 20 30 EFEDHM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)cc1F ZINC001571211344 962457892 /nfs/dbraw/zinc/45/78/92/962457892.db2.gz GIHBOSNVDVHEJF-JQFCIGGWSA-N -1 3 332.375 2.542 20 30 EFEDHM C=C(C)C[C@H](NCc1cc(O)c(OC)cc1Br)C(=O)[O-] ZINC001573324030 962780071 /nfs/dbraw/zinc/78/00/71/962780071.db2.gz MBZPZEFFOWQLCB-NSHDSACASA-N -1 3 344.205 2.672 20 30 EFEDHM CCOc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC ZINC000737192319 978385626 /nfs/dbraw/zinc/38/56/26/978385626.db2.gz STABBBZMOFAEMT-SFHVURJKSA-N -1 3 340.379 2.881 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2OC)CC1 ZINC001588585697 983664101 /nfs/dbraw/zinc/66/41/01/983664101.db2.gz VBDVLTFNDZKQIP-UHFFFAOYSA-N -1 3 347.415 2.555 20 30 EFEDHM C=C[C@@H](NCc1ccc(Oc2c(OC)cccc2OC)nc1)C(=O)[O-] ZINC001588700530 983911148 /nfs/dbraw/zinc/91/11/48/983911148.db2.gz JDWOEWIDMJTVMA-CYBMUJFWSA-N -1 3 344.367 2.620 20 30 EFEDHM C=C[C@H](Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)C(=O)[O-] ZINC001588701836 983916707 /nfs/dbraw/zinc/91/67/07/983916707.db2.gz AVZIOQWMKCUQTF-KRWDZBQOSA-N -1 3 345.443 2.942 20 30 EFEDHM C=CCCC[C@H](N)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001588787026 984185448 /nfs/dbraw/zinc/18/54/48/984185448.db2.gz SOFWPQLZHIOGQW-VIFPVBQESA-N -1 3 325.434 2.761 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1N[C@@H](C(=O)[O-])c1ccccc1Br ZINC001588920211 984576356 /nfs/dbraw/zinc/57/63/56/984576356.db2.gz UZBIEAVNTZUGNS-FRRDWIJNSA-N -1 3 326.190 2.508 20 30 EFEDHM CCO[C@H]1C[C@@](NCc2ccc(Cl)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596839471 985518441 /nfs/dbraw/zinc/51/84/41/985518441.db2.gz SFFIODKDCJHJEC-WMLDXEAASA-N -1 3 336.819 2.960 20 30 EFEDHM CCO[C@H]1C[C@](NCc2ccc(Cl)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596839472 985518458 /nfs/dbraw/zinc/51/84/58/985518458.db2.gz SFFIODKDCJHJEC-YOEHRIQHSA-N -1 3 336.819 2.960 20 30 EFEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001589431919 986736189 /nfs/dbraw/zinc/73/61/89/986736189.db2.gz SMCAUJYRFKWZER-NTZNESFSSA-N -1 3 349.818 2.581 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001597543036 988236213 /nfs/dbraw/zinc/23/62/13/988236213.db2.gz PSCWLGUBKSFBLY-AWEZNQCLSA-N -1 3 340.335 2.810 20 30 EFEDHM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](N)CCCC#N)cc1 ZINC001590481601 990074593 /nfs/dbraw/zinc/07/45/93/990074593.db2.gz JLIKTXDWCWVDAS-HOTGVXAUSA-N -1 3 345.443 2.637 20 30 EFEDHM CN(C1CCCC1)C(C)(C)C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598370419 991530873 /nfs/dbraw/zinc/53/08/73/991530873.db2.gz OMDBEOHGZWPNQL-MRXNPFEDSA-N -1 3 344.411 2.880 20 30 EFEDHM COc1cc(CN(CC(=O)[O-])Cc2cccc(C#N)c2)cc(OC)c1 ZINC001599405822 997296180 /nfs/dbraw/zinc/29/61/80/997296180.db2.gz KHEJEICTJPGVHZ-UHFFFAOYSA-N -1 3 340.379 2.662 20 30 EFEDHM C=C(C)COc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC001588429909 1092943878 /nfs/dbraw/zinc/94/38/78/1092943878.db2.gz NSRPBKNMFWGJOT-UHFFFAOYSA-N -1 3 325.166 2.593 20 30 EFEDHM C=C(C)COc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC001588429909 1092943887 /nfs/dbraw/zinc/94/38/87/1092943887.db2.gz NSRPBKNMFWGJOT-UHFFFAOYSA-N -1 3 325.166 2.593 20 30 EFEDHM C[C@H]1CC(Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)C[C@H](C)C1 ZINC001575968109 1088811896 /nfs/dbraw/zinc/81/18/96/1088811896.db2.gz AGSIWJQLKXJVMM-RKDXNWHRSA-N -1 3 329.433 2.632 20 30 EFEDHM C[C@H]1CC(Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)C[C@H](C)C1 ZINC001575968109 1088811915 /nfs/dbraw/zinc/81/19/15/1088811915.db2.gz AGSIWJQLKXJVMM-RKDXNWHRSA-N -1 3 329.433 2.632 20 30 EFEDHM CCCCCCCC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001577505638 1090017260 /nfs/dbraw/zinc/01/72/60/1090017260.db2.gz LZHOPINYVHGAAR-MRXNPFEDSA-N -1 3 327.432 2.811 20 30 EFEDHM CCCCCCCC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001577505638 1090017263 /nfs/dbraw/zinc/01/72/63/1090017263.db2.gz LZHOPINYVHGAAR-MRXNPFEDSA-N -1 3 327.432 2.811 20 30 EFEDHM CN(C(=O)c1cscc1C#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001578951544 1090487316 /nfs/dbraw/zinc/48/73/16/1090487316.db2.gz IADQOIMPOSZBKO-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1cscc1C#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001578951544 1090487318 /nfs/dbraw/zinc/48/73/18/1090487318.db2.gz IADQOIMPOSZBKO-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1OCc1cc(Cl)cc(C#N)c1 ZINC001579887133 1090715332 /nfs/dbraw/zinc/71/53/32/1090715332.db2.gz IOEIHKVPAXHYRE-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1OCc1cc(Cl)cc(C#N)c1 ZINC001579887133 1090715338 /nfs/dbraw/zinc/71/53/38/1090715338.db2.gz IOEIHKVPAXHYRE-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccccc1[C@]1(C)C[C@@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001580079998 1090766845 /nfs/dbraw/zinc/76/68/45/1090766845.db2.gz URQTUDYBNUJIST-LPHOPBHVSA-N -1 3 346.394 2.889 20 30 EFEDHM COc1ccccc1[C@]1(C)C[C@@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001580079998 1090766849 /nfs/dbraw/zinc/76/68/49/1090766849.db2.gz URQTUDYBNUJIST-LPHOPBHVSA-N -1 3 346.394 2.889 20 30 EFEDHM C[C@H](OC(=O)c1csc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001580444081 1090902609 /nfs/dbraw/zinc/90/26/09/1090902609.db2.gz ZXBVBKHVJVWMMK-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](OC(=O)c1csc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001580444081 1090902615 /nfs/dbraw/zinc/90/26/15/1090902615.db2.gz ZXBVBKHVJVWMMK-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM Cc1c(C#N)c(NC(=O)c2csc(-c3nnn[n-]3)c2)n2ccccc12 ZINC001580526455 1090933872 /nfs/dbraw/zinc/93/38/72/1090933872.db2.gz YZNZIECRUUWQTK-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC001580526956 1090934003 /nfs/dbraw/zinc/93/40/03/1090934003.db2.gz BUEUTARNRXQZBQ-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1c(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC001580526956 1090934011 /nfs/dbraw/zinc/93/40/11/1090934011.db2.gz BUEUTARNRXQZBQ-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1ccc(CNc2c(C#N)nnc3ccccc32)cc1-c1nnn[n-]1 ZINC001581200203 1091092108 /nfs/dbraw/zinc/09/21/08/1091092108.db2.gz AKMLFCQLVZGCKO-UHFFFAOYSA-N -1 3 342.366 2.602 20 30 EFEDHM Cc1ccc(CNc2c(C#N)nnc3ccccc32)cc1-c1nn[n-]n1 ZINC001581200203 1091092111 /nfs/dbraw/zinc/09/21/11/1091092111.db2.gz AKMLFCQLVZGCKO-UHFFFAOYSA-N -1 3 342.366 2.602 20 30 EFEDHM N#C[C@H]1C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC001581860245 1091321604 /nfs/dbraw/zinc/32/16/04/1091321604.db2.gz QXAKKSUDSFOCNV-GHMZBOCLSA-N -1 3 336.380 2.693 20 30 EFEDHM N#C[C@H]1C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC001581860245 1091321615 /nfs/dbraw/zinc/32/16/15/1091321615.db2.gz QXAKKSUDSFOCNV-GHMZBOCLSA-N -1 3 336.380 2.693 20 30 EFEDHM N#Cc1cc(F)cc(NC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC001581866475 1091323413 /nfs/dbraw/zinc/32/34/13/1091323413.db2.gz DUXXHRJZBAWZLA-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cc(F)cc(NC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC001581866475 1091323424 /nfs/dbraw/zinc/32/34/24/1091323424.db2.gz DUXXHRJZBAWZLA-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC001581869212 1091325884 /nfs/dbraw/zinc/32/58/84/1091325884.db2.gz NDNQNQJCYOACMN-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC001581869212 1091325894 /nfs/dbraw/zinc/32/58/94/1091325894.db2.gz NDNQNQJCYOACMN-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001581878526 1091328439 /nfs/dbraw/zinc/32/84/39/1091328439.db2.gz PCSRMSCEPSQWEE-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001581878526 1091328448 /nfs/dbraw/zinc/32/84/48/1091328448.db2.gz PCSRMSCEPSQWEE-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM C=CCCN(C)c1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588602915 1092133681 /nfs/dbraw/zinc/13/36/81/1092133681.db2.gz CFUJIBKOMYGKNV-UHFFFAOYSA-N -1 3 326.173 2.781 20 30 EFEDHM C=CCCN(C)c1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588602915 1092133685 /nfs/dbraw/zinc/13/36/85/1092133685.db2.gz CFUJIBKOMYGKNV-UHFFFAOYSA-N -1 3 326.173 2.781 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001586503127 1092739915 /nfs/dbraw/zinc/73/99/15/1092739915.db2.gz PIMYWRBDPISPOF-UHFFFAOYSA-N -1 3 332.367 2.920 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001586503127 1092739918 /nfs/dbraw/zinc/73/99/18/1092739918.db2.gz PIMYWRBDPISPOF-UHFFFAOYSA-N -1 3 332.367 2.920 20 30 EFEDHM N#CCN1CCC[C@H](C2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC001075447641 1092743919 /nfs/dbraw/zinc/74/39/19/1092743919.db2.gz BAYIHBHRKSMALD-INIZCTEOSA-N -1 3 341.455 2.870 20 30 EFEDHM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC001588329274 1092925035 /nfs/dbraw/zinc/92/50/35/1092925035.db2.gz CBGWABMMJMNOOD-OAHLLOKOSA-N -1 3 337.770 2.624 20 30 EFEDHM C#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC001588329274 1092925043 /nfs/dbraw/zinc/92/50/43/1092925043.db2.gz CBGWABMMJMNOOD-OAHLLOKOSA-N -1 3 337.770 2.624 20 30 EFEDHM C#C[C@@H](Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC001588329006 1092926488 /nfs/dbraw/zinc/92/64/88/1092926488.db2.gz VSXIPNNGSACOHX-CQSZACIVSA-N -1 3 334.339 2.870 20 30 EFEDHM C#C[C@@H](Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC001588329006 1092926492 /nfs/dbraw/zinc/92/64/92/1092926492.db2.gz VSXIPNNGSACOHX-CQSZACIVSA-N -1 3 334.339 2.870 20 30 EFEDHM C#C[C@H](NC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001588329879 1092926526 /nfs/dbraw/zinc/92/65/26/1092926526.db2.gz PWOALXGIDNNKHI-INIZCTEOSA-N -1 3 331.379 2.588 20 30 EFEDHM C#C[C@H](NC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001588329879 1092926532 /nfs/dbraw/zinc/92/65/32/1092926532.db2.gz PWOALXGIDNNKHI-INIZCTEOSA-N -1 3 331.379 2.588 20 30 EFEDHM C#CCC(C)(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588330936 1092926837 /nfs/dbraw/zinc/92/68/37/1092926837.db2.gz MEROVJRJCJSOJF-UHFFFAOYSA-N -1 3 327.388 2.642 20 30 EFEDHM C#CCC(C)(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588330936 1092926846 /nfs/dbraw/zinc/92/68/46/1092926846.db2.gz MEROVJRJCJSOJF-UHFFFAOYSA-N -1 3 327.388 2.642 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588333841 1092927706 /nfs/dbraw/zinc/92/77/06/1092927706.db2.gz GDAFECXBHYDZHA-QGZVFWFLSA-N -1 3 346.390 2.967 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588333841 1092927719 /nfs/dbraw/zinc/92/77/19/1092927719.db2.gz GDAFECXBHYDZHA-QGZVFWFLSA-N -1 3 346.390 2.967 20 30 EFEDHM C#C[C@@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC001588331758 1092927833 /nfs/dbraw/zinc/92/78/33/1092927833.db2.gz CZYPJOGPKQJLRI-CYBMUJFWSA-N -1 3 346.232 2.617 20 30 EFEDHM C#C[C@@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC001588331758 1092927842 /nfs/dbraw/zinc/92/78/42/1092927842.db2.gz CZYPJOGPKQJLRI-CYBMUJFWSA-N -1 3 346.232 2.617 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588333839 1092928053 /nfs/dbraw/zinc/92/80/53/1092928053.db2.gz GCIMFCUNVZEQKT-CQSZACIVSA-N -1 3 348.366 2.821 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588333839 1092928058 /nfs/dbraw/zinc/92/80/58/1092928058.db2.gz GCIMFCUNVZEQKT-CQSZACIVSA-N -1 3 348.366 2.821 20 30 EFEDHM C#CCCCC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588340784 1092928737 /nfs/dbraw/zinc/92/87/37/1092928737.db2.gz FVKJYGBYIWOPPA-UHFFFAOYSA-N -1 3 327.388 2.786 20 30 EFEDHM C#CCCCC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588340784 1092928745 /nfs/dbraw/zinc/92/87/45/1092928745.db2.gz FVKJYGBYIWOPPA-UHFFFAOYSA-N -1 3 327.388 2.786 20 30 EFEDHM C#CCC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001588335034 1092929191 /nfs/dbraw/zinc/92/91/91/1092929191.db2.gz VEPCXZAAJOYEDC-UHFFFAOYSA-N -1 3 334.383 2.651 20 30 EFEDHM C#CCC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001588335034 1092929200 /nfs/dbraw/zinc/92/92/00/1092929200.db2.gz VEPCXZAAJOYEDC-UHFFFAOYSA-N -1 3 334.383 2.651 20 30 EFEDHM C#CCOc1ccc(CNc2cc(C)cc(F)c2-c2nnn[n-]2)cc1 ZINC001588362080 1092931611 /nfs/dbraw/zinc/93/16/11/1092931611.db2.gz SWUTVNLFTLMTQJ-UHFFFAOYSA-N -1 3 337.358 2.938 20 30 EFEDHM C#CCOc1ccc(CNc2cc(C)cc(F)c2-c2nn[n-]n2)cc1 ZINC001588362080 1092931624 /nfs/dbraw/zinc/93/16/24/1092931624.db2.gz SWUTVNLFTLMTQJ-UHFFFAOYSA-N -1 3 337.358 2.938 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588351964 1092932204 /nfs/dbraw/zinc/93/22/04/1092932204.db2.gz QJVMUFFGTBPNRK-UHFFFAOYSA-N -1 3 332.367 2.534 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588351964 1092932212 /nfs/dbraw/zinc/93/22/12/1092932212.db2.gz QJVMUFFGTBPNRK-UHFFFAOYSA-N -1 3 332.367 2.534 20 30 EFEDHM C#CCCCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)c2ccccn21 ZINC001588344877 1092932850 /nfs/dbraw/zinc/93/28/50/1092932850.db2.gz HWSUIWVICSRTKZ-UHFFFAOYSA-N -1 3 336.399 2.950 20 30 EFEDHM C#CCCCCCC(=O)Nc1c(-c2nn[n-]n2)c(C)c2ccccn21 ZINC001588344877 1092932853 /nfs/dbraw/zinc/93/28/53/1092932853.db2.gz HWSUIWVICSRTKZ-UHFFFAOYSA-N -1 3 336.399 2.950 20 30 EFEDHM C#Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588365585 1092933977 /nfs/dbraw/zinc/93/39/77/1092933977.db2.gz ZGCZYHSEUZYIMN-CYBMUJFWSA-N -1 3 331.379 2.681 20 30 EFEDHM C#Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588365585 1092933984 /nfs/dbraw/zinc/93/39/84/1092933984.db2.gz ZGCZYHSEUZYIMN-CYBMUJFWSA-N -1 3 331.379 2.681 20 30 EFEDHM C#Cc1ccccc1CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588377107 1092934197 /nfs/dbraw/zinc/93/41/97/1092934197.db2.gz PNANXVRJEXWGLN-ZDUSSCGKSA-N -1 3 332.363 2.695 20 30 EFEDHM C#Cc1ccccc1CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588377107 1092934204 /nfs/dbraw/zinc/93/42/04/1092934204.db2.gz PNANXVRJEXWGLN-ZDUSSCGKSA-N -1 3 332.363 2.695 20 30 EFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1conc1Cc1ccccc1 ZINC001588381615 1092937869 /nfs/dbraw/zinc/93/78/69/1092937869.db2.gz LGIYPJIARUDDOU-UHFFFAOYSA-N -1 3 345.366 2.892 20 30 EFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1conc1Cc1ccccc1 ZINC001588381615 1092937880 /nfs/dbraw/zinc/93/78/80/1092937880.db2.gz LGIYPJIARUDDOU-UHFFFAOYSA-N -1 3 345.366 2.892 20 30 EFEDHM C=C(C)[C@H](CC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1)OCC ZINC001588402393 1092942957 /nfs/dbraw/zinc/94/29/57/1092942957.db2.gz FXMRHSFHLWGQGY-HNNXBMFYSA-N -1 3 343.431 2.589 20 30 EFEDHM C=C(C)[C@H](CC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1)OCC ZINC001588402393 1092942972 /nfs/dbraw/zinc/94/29/72/1092942972.db2.gz FXMRHSFHLWGQGY-HNNXBMFYSA-N -1 3 343.431 2.589 20 30 EFEDHM C=C(C)COc1cccc(NC(=O)c2cc(-c3nnn[n-]3)[nH]c2C)c1 ZINC001588429094 1092944506 /nfs/dbraw/zinc/94/45/06/1092944506.db2.gz CDJMCOQOBUAJMT-UHFFFAOYSA-N -1 3 338.371 2.710 20 30 EFEDHM C=C(C)COc1cccc(NC(=O)c2cc(-c3nn[n-]n3)[nH]c2C)c1 ZINC001588429094 1092944512 /nfs/dbraw/zinc/94/45/12/1092944512.db2.gz CDJMCOQOBUAJMT-UHFFFAOYSA-N -1 3 338.371 2.710 20 30 EFEDHM C=C(C)CCNC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588424499 1092945056 /nfs/dbraw/zinc/94/50/56/1092945056.db2.gz KYLNPAMBSBSEDK-UHFFFAOYSA-N -1 3 326.404 2.511 20 30 EFEDHM C=C(C)CCNC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588424499 1092945066 /nfs/dbraw/zinc/94/50/66/1092945066.db2.gz KYLNPAMBSBSEDK-UHFFFAOYSA-N -1 3 326.404 2.511 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1ccc(F)cc1-c1nnn[n-]1 ZINC001588426084 1092945184 /nfs/dbraw/zinc/94/51/84/1092945184.db2.gz KRBVXIDXAXEICJ-UHFFFAOYSA-N -1 3 343.362 2.674 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1ccc(F)cc1-c1nn[n-]n1 ZINC001588426084 1092945192 /nfs/dbraw/zinc/94/51/92/1092945192.db2.gz KRBVXIDXAXEICJ-UHFFFAOYSA-N -1 3 343.362 2.674 20 30 EFEDHM C=C(C)CCNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588424930 1092945326 /nfs/dbraw/zinc/94/53/26/1092945326.db2.gz RHCPPDIOGWVBBY-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=C(C)CCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588424930 1092945332 /nfs/dbraw/zinc/94/53/32/1092945332.db2.gz RHCPPDIOGWVBBY-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=C(C)CN(CC)C(=O)CSc1cccc(F)c1-c1nnn[n-]1 ZINC001588426001 1092946003 /nfs/dbraw/zinc/94/60/03/1092946003.db2.gz GHSLCJSSOHOJKZ-UHFFFAOYSA-N -1 3 335.408 2.523 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588455927 1092946468 /nfs/dbraw/zinc/94/64/68/1092946468.db2.gz DTURFCCIVDWODB-IYBDPMFKSA-N -1 3 335.411 2.608 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588455927 1092946478 /nfs/dbraw/zinc/94/64/78/1092946478.db2.gz DTURFCCIVDWODB-IYBDPMFKSA-N -1 3 335.411 2.608 20 30 EFEDHM C=C(CNC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588443994 1092946606 /nfs/dbraw/zinc/94/66/06/1092946606.db2.gz DQEXLEBYMJVHFT-UHFFFAOYSA-N -1 3 347.422 2.974 20 30 EFEDHM C=C(CNC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588443994 1092946616 /nfs/dbraw/zinc/94/66/16/1092946616.db2.gz DQEXLEBYMJVHFT-UHFFFAOYSA-N -1 3 347.422 2.974 20 30 EFEDHM C=C(CNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC001588443960 1092946634 /nfs/dbraw/zinc/94/66/34/1092946634.db2.gz BWWNVHKNMHPPCR-UHFFFAOYSA-N -1 3 345.406 2.728 20 30 EFEDHM C=C(CNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1)c1ccccc1 ZINC001588443960 1092946646 /nfs/dbraw/zinc/94/66/46/1092946646.db2.gz BWWNVHKNMHPPCR-UHFFFAOYSA-N -1 3 345.406 2.728 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC001588441356 1092947149 /nfs/dbraw/zinc/94/71/49/1092947149.db2.gz DJRZFVBMCQUWOV-DGCLKSJQSA-N -1 3 347.444 2.719 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC001588441356 1092947160 /nfs/dbraw/zinc/94/71/60/1092947160.db2.gz DJRZFVBMCQUWOV-DGCLKSJQSA-N -1 3 347.444 2.719 20 30 EFEDHM C=C(CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588444040 1092947656 /nfs/dbraw/zinc/94/76/56/1092947656.db2.gz HIWBOLWXTNRZTB-AWEZNQCLSA-N -1 3 348.410 2.940 20 30 EFEDHM C=C(CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588444040 1092947666 /nfs/dbraw/zinc/94/76/66/1092947666.db2.gz HIWBOLWXTNRZTB-AWEZNQCLSA-N -1 3 348.410 2.940 20 30 EFEDHM C=C(CNC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)c1ccccc1 ZINC001588443935 1092948247 /nfs/dbraw/zinc/94/82/47/1092948247.db2.gz BHKHHEZEIYBVMH-UHFFFAOYSA-N -1 3 344.378 2.791 20 30 EFEDHM C=C(CNC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)c1ccccc1 ZINC001588443935 1092948257 /nfs/dbraw/zinc/94/82/57/1092948257.db2.gz BHKHHEZEIYBVMH-UHFFFAOYSA-N -1 3 344.378 2.791 20 30 EFEDHM C=C1CCC(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001588462033 1092950301 /nfs/dbraw/zinc/95/03/01/1092950301.db2.gz APVRZEWZVJXMBT-UHFFFAOYSA-N -1 3 331.807 2.883 20 30 EFEDHM C=C1CCC(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001588462033 1092950312 /nfs/dbraw/zinc/95/03/12/1092950312.db2.gz APVRZEWZVJXMBT-UHFFFAOYSA-N -1 3 331.807 2.883 20 30 EFEDHM C=CC(C)(C)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001588486893 1092950361 /nfs/dbraw/zinc/95/03/61/1092950361.db2.gz LXVKBPOVWJQVLG-UHFFFAOYSA-N -1 3 326.404 2.982 20 30 EFEDHM C=C[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001588468822 1092950623 /nfs/dbraw/zinc/95/06/23/1092950623.db2.gz XSJPNYFEZPCXLV-HNNXBMFYSA-N -1 3 337.358 2.592 20 30 EFEDHM C=C[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001588468822 1092950630 /nfs/dbraw/zinc/95/06/30/1092950630.db2.gz XSJPNYFEZPCXLV-HNNXBMFYSA-N -1 3 337.358 2.592 20 30 EFEDHM C=CC(C)(C)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588488337 1092953244 /nfs/dbraw/zinc/95/32/44/1092953244.db2.gz IEOIHAFMBULYQQ-UHFFFAOYSA-N -1 3 330.392 2.599 20 30 EFEDHM C=CC(C)(C)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588488337 1092953253 /nfs/dbraw/zinc/95/32/53/1092953253.db2.gz IEOIHAFMBULYQQ-UHFFFAOYSA-N -1 3 330.392 2.599 20 30 EFEDHM C=CC(C)(C)CNC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588488285 1092953344 /nfs/dbraw/zinc/95/33/44/1092953344.db2.gz HFSFQNRYCKWKBQ-UHFFFAOYSA-N -1 3 334.811 2.532 20 30 EFEDHM C=CC(C)(C)CNC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588488285 1092953359 /nfs/dbraw/zinc/95/33/59/1092953359.db2.gz HFSFQNRYCKWKBQ-UHFFFAOYSA-N -1 3 334.811 2.532 20 30 EFEDHM C=C[C@H](CC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001588519369 1092953445 /nfs/dbraw/zinc/95/34/45/1092953445.db2.gz YKJLQCNQZNWOMK-CYBMUJFWSA-N -1 3 334.383 2.869 20 30 EFEDHM C=C[C@H](CC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001588519369 1092953455 /nfs/dbraw/zinc/95/34/55/1092953455.db2.gz YKJLQCNQZNWOMK-CYBMUJFWSA-N -1 3 334.383 2.869 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588541291 1092954263 /nfs/dbraw/zinc/95/42/63/1092954263.db2.gz LPNIXTUSQHNYEN-CQSZACIVSA-N -1 3 331.395 2.754 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588541291 1092954270 /nfs/dbraw/zinc/95/42/70/1092954270.db2.gz LPNIXTUSQHNYEN-CQSZACIVSA-N -1 3 331.395 2.754 20 30 EFEDHM C=CC1(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)CCCCC1 ZINC001588527936 1092954864 /nfs/dbraw/zinc/95/48/64/1092954864.db2.gz ZTGYFPAYTYXRCA-UHFFFAOYSA-N -1 3 341.419 2.932 20 30 EFEDHM C=CC[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588531071 1092955369 /nfs/dbraw/zinc/95/53/69/1092955369.db2.gz YDMRYLKQXGQSPP-QGZVFWFLSA-N -1 3 333.395 2.843 20 30 EFEDHM C=CC[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588531071 1092955378 /nfs/dbraw/zinc/95/53/78/1092955378.db2.gz YDMRYLKQXGQSPP-QGZVFWFLSA-N -1 3 333.395 2.843 20 30 EFEDHM C=CC[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001588532274 1092956370 /nfs/dbraw/zinc/95/63/70/1092956370.db2.gz RHIJWHVFQCQCEG-MRXNPFEDSA-N -1 3 335.367 2.665 20 30 EFEDHM C=CC[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001588532274 1092956379 /nfs/dbraw/zinc/95/63/79/1092956379.db2.gz RHIJWHVFQCQCEG-MRXNPFEDSA-N -1 3 335.367 2.665 20 30 EFEDHM C=CCC(F)(F)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588546064 1092957018 /nfs/dbraw/zinc/95/70/18/1092957018.db2.gz WHLQQMACFUJFML-UHFFFAOYSA-N -1 3 345.353 2.694 20 30 EFEDHM C=CCC(F)(F)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588546064 1092957028 /nfs/dbraw/zinc/95/70/28/1092957028.db2.gz WHLQQMACFUJFML-UHFFFAOYSA-N -1 3 345.353 2.694 20 30 EFEDHM C=CCC1(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588556762 1092957246 /nfs/dbraw/zinc/95/72/46/1092957246.db2.gz RSWSIEJQXNCBMH-UHFFFAOYSA-N -1 3 340.383 2.729 20 30 EFEDHM C=CCC1(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588556762 1092957256 /nfs/dbraw/zinc/95/72/56/1092957256.db2.gz RSWSIEJQXNCBMH-UHFFFAOYSA-N -1 3 340.383 2.729 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)CCCC1 ZINC001588556786 1092958596 /nfs/dbraw/zinc/95/85/96/1092958596.db2.gz SRCZJAOTLUUYNW-UHFFFAOYSA-N -1 3 325.416 2.928 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)CCCC1 ZINC001588556786 1092958605 /nfs/dbraw/zinc/95/86/05/1092958605.db2.gz SRCZJAOTLUUYNW-UHFFFAOYSA-N -1 3 325.416 2.928 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001588560408 1092959683 /nfs/dbraw/zinc/95/96/83/1092959683.db2.gz PYSOVNHMSXGSNP-JQWIXIFHSA-N -1 3 346.822 2.780 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001588558557 1092961610 /nfs/dbraw/zinc/96/16/10/1092961610.db2.gz AJEOTEJOZWBYRS-CQSZACIVSA-N -1 3 337.427 2.713 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001588558557 1092961615 /nfs/dbraw/zinc/96/16/15/1092961615.db2.gz AJEOTEJOZWBYRS-CQSZACIVSA-N -1 3 337.427 2.713 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588563749 1092962083 /nfs/dbraw/zinc/96/20/83/1092962083.db2.gz AHAIHHHKAKRVMV-NSHDSACASA-N -1 3 346.822 2.628 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588563749 1092962090 /nfs/dbraw/zinc/96/20/90/1092962090.db2.gz AHAIHHHKAKRVMV-NSHDSACASA-N -1 3 346.822 2.628 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588564028 1092962643 /nfs/dbraw/zinc/96/26/43/1092962643.db2.gz IDDCUMBXBYLOCU-OAHLLOKOSA-N -1 3 341.415 2.593 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588564028 1092962648 /nfs/dbraw/zinc/96/26/48/1092962648.db2.gz IDDCUMBXBYLOCU-OAHLLOKOSA-N -1 3 341.415 2.593 20 30 EFEDHM C=CCCCCCN(C)S(=O)(=O)c1c(C)cccc1-c1nnn[n-]1 ZINC001588593611 1092964516 /nfs/dbraw/zinc/96/45/16/1092964516.db2.gz FIKOGDAMSCHDKH-UHFFFAOYSA-N -1 3 349.460 2.542 20 30 EFEDHM C=CCCCCCN(C)S(=O)(=O)c1c(C)cccc1-c1nn[n-]n1 ZINC001588593611 1092964525 /nfs/dbraw/zinc/96/45/25/1092964525.db2.gz FIKOGDAMSCHDKH-UHFFFAOYSA-N -1 3 349.460 2.542 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588583466 1092965720 /nfs/dbraw/zinc/96/57/20/1092965720.db2.gz XOUFQUUTSMZUPW-HNNXBMFYSA-N -1 3 340.431 2.504 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588583466 1092965734 /nfs/dbraw/zinc/96/57/34/1092965734.db2.gz XOUFQUUTSMZUPW-HNNXBMFYSA-N -1 3 340.431 2.504 20 30 EFEDHM C=CCCC[C@@H](C)n1cc(COc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001588594703 1092966327 /nfs/dbraw/zinc/96/63/27/1092966327.db2.gz RHNMRUVQXQCBAH-CYBMUJFWSA-N -1 3 339.403 2.955 20 30 EFEDHM C=CCCC[C@@H](C)n1cc(COc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001588594703 1092966336 /nfs/dbraw/zinc/96/63/36/1092966336.db2.gz RHNMRUVQXQCBAH-CYBMUJFWSA-N -1 3 339.403 2.955 20 30 EFEDHM C=CCCCN(CC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588601030 1092966952 /nfs/dbraw/zinc/96/69/52/1092966952.db2.gz BFIVRCCSLVEJJX-UHFFFAOYSA-N -1 3 330.392 2.695 20 30 EFEDHM C=CCCCN(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588601030 1092966959 /nfs/dbraw/zinc/96/69/59/1092966959.db2.gz BFIVRCCSLVEJJX-UHFFFAOYSA-N -1 3 330.392 2.695 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588594326 1092967363 /nfs/dbraw/zinc/96/73/63/1092967363.db2.gz MJSGFFBOMJFFFH-NSHDSACASA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588594326 1092967371 /nfs/dbraw/zinc/96/73/71/1092967371.db2.gz MJSGFFBOMJFFFH-NSHDSACASA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588594324 1092967735 /nfs/dbraw/zinc/96/77/35/1092967735.db2.gz MJSGFFBOMJFFFH-LLVKDONJSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588594324 1092967744 /nfs/dbraw/zinc/96/77/44/1092967744.db2.gz MJSGFFBOMJFFFH-LLVKDONJSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCC[C@H](C)n1cc(COc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001588594705 1092968409 /nfs/dbraw/zinc/96/84/09/1092968409.db2.gz RHNMRUVQXQCBAH-ZDUSSCGKSA-N -1 3 339.403 2.955 20 30 EFEDHM C=CCCC[C@H](C)n1cc(COc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001588594705 1092968420 /nfs/dbraw/zinc/96/84/20/1092968420.db2.gz RHNMRUVQXQCBAH-ZDUSSCGKSA-N -1 3 339.403 2.955 20 30 EFEDHM C=CCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC001588615939 1092969082 /nfs/dbraw/zinc/96/90/82/1092969082.db2.gz OIYFLTIJVSXBRC-SNVBAGLBSA-N -1 3 347.444 2.584 20 30 EFEDHM C=CCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001588615939 1092969090 /nfs/dbraw/zinc/96/90/90/1092969090.db2.gz OIYFLTIJVSXBRC-SNVBAGLBSA-N -1 3 347.444 2.584 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588610587 1092969620 /nfs/dbraw/zinc/96/96/20/1092969620.db2.gz ICZSZASYSFLWLF-JTQLQIEISA-N -1 3 336.779 2.545 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588610587 1092969623 /nfs/dbraw/zinc/96/96/23/1092969623.db2.gz ICZSZASYSFLWLF-JTQLQIEISA-N -1 3 336.779 2.545 20 30 EFEDHM C=CCCO[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001588610314 1092970196 /nfs/dbraw/zinc/97/01/96/1092970196.db2.gz ARBOXFQSINXGOC-SNVBAGLBSA-N -1 3 347.444 2.727 20 30 EFEDHM C=CCCO[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001588610314 1092970206 /nfs/dbraw/zinc/97/02/06/1092970206.db2.gz ARBOXFQSINXGOC-SNVBAGLBSA-N -1 3 347.444 2.727 20 30 EFEDHM C=CCN(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588626905 1092970330 /nfs/dbraw/zinc/97/03/30/1092970330.db2.gz VJXREPGXAIZKSN-UHFFFAOYSA-N -1 3 330.392 2.694 20 30 EFEDHM C=CCN(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588626905 1092970337 /nfs/dbraw/zinc/97/03/37/1092970337.db2.gz VJXREPGXAIZKSN-UHFFFAOYSA-N -1 3 330.392 2.694 20 30 EFEDHM C=CCN(CC1CCCCC1)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588628028 1092970369 /nfs/dbraw/zinc/97/03/69/1092970369.db2.gz OFIQQCZXOFYNSA-UHFFFAOYSA-N -1 3 340.431 2.779 20 30 EFEDHM C=CCN(CC1CCCCC1)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588628028 1092970376 /nfs/dbraw/zinc/97/03/76/1092970376.db2.gz OFIQQCZXOFYNSA-UHFFFAOYSA-N -1 3 340.431 2.779 20 30 EFEDHM C=CCN(CCOC)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588632118 1092971294 /nfs/dbraw/zinc/97/12/94/1092971294.db2.gz KIAKGZWIBVRZKV-UHFFFAOYSA-N -1 3 327.310 2.524 20 30 EFEDHM C=CCN(CCOC)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588632118 1092971306 /nfs/dbraw/zinc/97/13/06/1092971306.db2.gz KIAKGZWIBVRZKV-UHFFFAOYSA-N -1 3 327.310 2.524 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC(C)(F)F ZINC001588639756 1092971412 /nfs/dbraw/zinc/97/14/12/1092971412.db2.gz GGGREJGGWAYQJX-UHFFFAOYSA-N -1 3 335.358 2.817 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC(C)(F)F ZINC001588639756 1092971428 /nfs/dbraw/zinc/97/14/28/1092971428.db2.gz GGGREJGGWAYQJX-UHFFFAOYSA-N -1 3 335.358 2.817 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC(F)(F)C1 ZINC001588638516 1092971541 /nfs/dbraw/zinc/97/15/41/1092971541.db2.gz DVOGYDURXAPMHQ-AWEZNQCLSA-N -1 3 347.369 2.817 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC(F)(F)C1 ZINC001588638516 1092971553 /nfs/dbraw/zinc/97/15/53/1092971553.db2.gz DVOGYDURXAPMHQ-AWEZNQCLSA-N -1 3 347.369 2.817 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CCC)OCC ZINC001588639536 1092972323 /nfs/dbraw/zinc/97/23/23/1092972323.db2.gz STXAIFOQLIQZFS-INIZCTEOSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CCC)OCC ZINC001588639536 1092972332 /nfs/dbraw/zinc/97/23/32/1092972332.db2.gz STXAIFOQLIQZFS-INIZCTEOSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(C)CC(F)(F)C1 ZINC001588638736 1092972675 /nfs/dbraw/zinc/97/26/75/1092972675.db2.gz ITOYSXDNGFRGPP-UHFFFAOYSA-N -1 3 347.369 2.817 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(C)CC(F)(F)C1 ZINC001588638736 1092972689 /nfs/dbraw/zinc/97/26/89/1092972689.db2.gz ITOYSXDNGFRGPP-UHFFFAOYSA-N -1 3 347.369 2.817 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cncc(CC)c1 ZINC001588647633 1092974012 /nfs/dbraw/zinc/97/40/12/1092974012.db2.gz AJUXETSFUSXKDR-UHFFFAOYSA-N -1 3 348.410 2.653 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cncc(CC)c1 ZINC001588647633 1092974018 /nfs/dbraw/zinc/97/40/18/1092974018.db2.gz AJUXETSFUSXKDR-UHFFFAOYSA-N -1 3 348.410 2.653 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC(CC)CC ZINC001588642149 1092974162 /nfs/dbraw/zinc/97/41/62/1092974162.db2.gz VOLOAANCRQSXJK-UHFFFAOYSA-N -1 3 328.420 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC(CC)CC ZINC001588642149 1092974168 /nfs/dbraw/zinc/97/41/68/1092974168.db2.gz VOLOAANCRQSXJK-UHFFFAOYSA-N -1 3 328.420 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1snnc1C ZINC001588649003 1092974432 /nfs/dbraw/zinc/97/44/32/1092974432.db2.gz SPPASNHVIVRECR-GFCCVEGCSA-N -1 3 341.444 2.776 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1snnc1C ZINC001588649003 1092974445 /nfs/dbraw/zinc/97/44/45/1092974445.db2.gz SPPASNHVIVRECR-GFCCVEGCSA-N -1 3 341.444 2.776 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1[nH]c(C)cc1C ZINC001588649420 1092974980 /nfs/dbraw/zinc/97/49/80/1092974980.db2.gz MTPNBTAGMGITOS-UHFFFAOYSA-N -1 3 336.399 2.640 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1[nH]c(C)cc1C ZINC001588649420 1092974985 /nfs/dbraw/zinc/97/49/85/1092974985.db2.gz MTPNBTAGMGITOS-UHFFFAOYSA-N -1 3 336.399 2.640 20 30 EFEDHM C=CCN(Cc1cc2n(n1)CCCC2)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588649018 1092975025 /nfs/dbraw/zinc/97/50/25/1092975025.db2.gz TZEFDSHKEZDNBZ-UHFFFAOYSA-N -1 3 349.442 2.588 20 30 EFEDHM C=CCN(Cc1cc2n(n1)CCCC2)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588649018 1092975029 /nfs/dbraw/zinc/97/50/29/1092975029.db2.gz TZEFDSHKEZDNBZ-UHFFFAOYSA-N -1 3 349.442 2.588 20 30 EFEDHM C=CCN(Cc1cc(C2CC2)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588648186 1092975241 /nfs/dbraw/zinc/97/52/41/1092975241.db2.gz IATFIXGSTGPCTH-UHFFFAOYSA-N -1 3 336.399 2.920 20 30 EFEDHM C=CCN(Cc1cc(C2CC2)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588648186 1092975249 /nfs/dbraw/zinc/97/52/49/1092975249.db2.gz IATFIXGSTGPCTH-UHFFFAOYSA-N -1 3 336.399 2.920 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588654807 1092975270 /nfs/dbraw/zinc/97/52/70/1092975270.db2.gz NYPAZJUKLGKIHC-QGZVFWFLSA-N -1 3 332.367 2.619 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588654807 1092975279 /nfs/dbraw/zinc/97/52/79/1092975279.db2.gz NYPAZJUKLGKIHC-QGZVFWFLSA-N -1 3 332.367 2.619 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(C)n1 ZINC001588649431 1092975589 /nfs/dbraw/zinc/97/55/89/1092975589.db2.gz NIBDSDBYTUMLLQ-UHFFFAOYSA-N -1 3 349.398 2.790 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(C)n1 ZINC001588649431 1092975598 /nfs/dbraw/zinc/97/55/98/1092975598.db2.gz NIBDSDBYTUMLLQ-UHFFFAOYSA-N -1 3 349.398 2.790 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1CCC ZINC001588649545 1092976776 /nfs/dbraw/zinc/97/67/76/1092976776.db2.gz SDPURCTZXZXQFV-GDBMZVCRSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1CCC ZINC001588649545 1092976786 /nfs/dbraw/zinc/97/67/86/1092976786.db2.gz SDPURCTZXZXQFV-GDBMZVCRSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCO[C@@H]1CCN(c2cc(-c3nnn[n-]3)ccc2C(F)(F)F)C1 ZINC001588665148 1092978921 /nfs/dbraw/zinc/97/89/21/1092978921.db2.gz GKXIHSUTYQFCDJ-LLVKDONJSA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCO[C@@H]1CCN(c2cc(-c3nn[n-]n3)ccc2C(F)(F)F)C1 ZINC001588665148 1092978931 /nfs/dbraw/zinc/97/89/31/1092978931.db2.gz GKXIHSUTYQFCDJ-LLVKDONJSA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCOc1cccc(C=C2C(=O)Nc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001588689662 1092979805 /nfs/dbraw/zinc/97/98/05/1092979805.db2.gz JMSDMKSQRMVQQO-MHWRWJLKSA-N -1 3 345.362 2.924 20 30 EFEDHM C=CCOc1cccc(C=C2C(=O)Nc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001588689662 1092979811 /nfs/dbraw/zinc/97/98/11/1092979811.db2.gz JMSDMKSQRMVQQO-MHWRWJLKSA-N -1 3 345.362 2.924 20 30 EFEDHM C=CCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588689757 1092979973 /nfs/dbraw/zinc/97/99/73/1092979973.db2.gz MBZJNMZKZPFLRZ-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588689757 1092979982 /nfs/dbraw/zinc/97/99/82/1092979982.db2.gz MBZJNMZKZPFLRZ-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOc1ccccc1C=C1C(=O)Nc2cc(-c3nnn[n-]3)ccc21 ZINC001588689717 1092980328 /nfs/dbraw/zinc/98/03/28/1092980328.db2.gz KPAUYULVDFDNCF-XNTDXEJSSA-N -1 3 345.362 2.924 20 30 EFEDHM C=CCOc1ccccc1C=C1C(=O)Nc2cc(-c3nn[n-]n3)ccc21 ZINC001588689717 1092980334 /nfs/dbraw/zinc/98/03/34/1092980334.db2.gz KPAUYULVDFDNCF-XNTDXEJSSA-N -1 3 345.362 2.924 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001588690169 1092981140 /nfs/dbraw/zinc/98/11/40/1092981140.db2.gz VTIKKMOOARLKPY-UHFFFAOYSA-N -1 3 340.314 2.790 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001588690169 1092981152 /nfs/dbraw/zinc/98/11/52/1092981152.db2.gz VTIKKMOOARLKPY-UHFFFAOYSA-N -1 3 340.314 2.790 20 30 EFEDHM C=CCn1ncc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cc21 ZINC001588716445 1092981174 /nfs/dbraw/zinc/98/11/74/1092981174.db2.gz FRLALUFPNDISDN-UHFFFAOYSA-N -1 3 345.366 2.655 20 30 EFEDHM C=CCn1ncc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cc21 ZINC001588716445 1092981186 /nfs/dbraw/zinc/98/11/86/1092981186.db2.gz FRLALUFPNDISDN-UHFFFAOYSA-N -1 3 345.366 2.655 20 30 EFEDHM C=CCOc1cccc(C=C2C(=O)Nc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001588689665 1092981536 /nfs/dbraw/zinc/98/15/36/1092981536.db2.gz JMSDMKSQRMVQQO-YBEGLDIGSA-N -1 3 345.362 2.924 20 30 EFEDHM C=CCOc1cccc(C=C2C(=O)Nc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001588689665 1092981543 /nfs/dbraw/zinc/98/15/43/1092981543.db2.gz JMSDMKSQRMVQQO-YBEGLDIGSA-N -1 3 345.362 2.924 20 30 EFEDHM CC#CCCCCOC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588746057 1092983535 /nfs/dbraw/zinc/98/35/35/1092983535.db2.gz LQVYXKXUSZFJJY-UHFFFAOYSA-N -1 3 344.440 2.837 20 30 EFEDHM CC#CCCCCOC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588746057 1092983543 /nfs/dbraw/zinc/98/35/43/1092983543.db2.gz LQVYXKXUSZFJJY-UHFFFAOYSA-N -1 3 344.440 2.837 20 30 EFEDHM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccccc1-c1nnn[n-]1 ZINC001588780756 1092991857 /nfs/dbraw/zinc/99/18/57/1092991857.db2.gz MPCFCYASYWCLBB-UHFFFAOYSA-N -1 3 348.292 2.512 20 30 EFEDHM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccccc1-c1nn[n-]n1 ZINC001588780756 1092991868 /nfs/dbraw/zinc/99/18/68/1092991868.db2.gz MPCFCYASYWCLBB-UHFFFAOYSA-N -1 3 348.292 2.512 20 30 EFEDHM CC(=NNCc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588777288 1092992022 /nfs/dbraw/zinc/99/20/22/1092992022.db2.gz LJXCZMKFVPFTGZ-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588777288 1092992035 /nfs/dbraw/zinc/99/20/35/1092992035.db2.gz LJXCZMKFVPFTGZ-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1cc(F)c(N)c(F)c1 ZINC001588780518 1092992378 /nfs/dbraw/zinc/99/23/78/1092992378.db2.gz CULLNPFBCHOJMP-UHFFFAOYSA-N -1 3 329.314 2.563 20 30 EFEDHM CC(=NNCCCOc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001588777347 1092993392 /nfs/dbraw/zinc/99/33/92/1092993392.db2.gz ONNPOGYYUUKCIT-UHFFFAOYSA-N -1 3 336.399 2.649 20 30 EFEDHM CC(=NNCCCOc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001588777347 1092993406 /nfs/dbraw/zinc/99/34/06/1092993406.db2.gz ONNPOGYYUUKCIT-UHFFFAOYSA-N -1 3 336.399 2.649 20 30 EFEDHM CC(=O)Nc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1 ZINC001588875841 1092997019 /nfs/dbraw/zinc/99/70/19/1092997019.db2.gz BFGASRGBYBZDGM-OVCLIPMQSA-N -1 3 345.362 2.648 20 30 EFEDHM CC(=O)Nc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1 ZINC001588875841 1092997030 /nfs/dbraw/zinc/99/70/30/1092997030.db2.gz BFGASRGBYBZDGM-OVCLIPMQSA-N -1 3 345.362 2.648 20 30 EFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001588876467 1092999059 /nfs/dbraw/zinc/99/90/59/1092999059.db2.gz ZJRZFNVDLDUVNV-DHZHZOJOSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001588876467 1092999069 /nfs/dbraw/zinc/99/90/69/1092999069.db2.gz ZJRZFNVDLDUVNV-DHZHZOJOSA-N -1 3 333.351 2.721 20 30 EFEDHM C[C@H](C#N)Oc1ccccc1NCc1cccc(F)c1-c1nnn[n-]1 ZINC001588937386 1093015761 /nfs/dbraw/zinc/01/57/61/1093015761.db2.gz ZWRXWPQQUZAKPN-LLVKDONJSA-N -1 3 338.346 2.909 20 30 EFEDHM C[C@H](C#N)Oc1ccccc1NCc1cccc(F)c1-c1nn[n-]n1 ZINC001588937386 1093015767 /nfs/dbraw/zinc/01/57/67/1093015767.db2.gz ZWRXWPQQUZAKPN-LLVKDONJSA-N -1 3 338.346 2.909 20 30 EFEDHM CC(C)(C(=O)OCC1(CC#N)CC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589062209 1093025196 /nfs/dbraw/zinc/02/51/96/1093025196.db2.gz WRURPKBQTUWNPT-UHFFFAOYSA-N -1 3 343.362 2.520 20 30 EFEDHM CC(C)(C(=O)OCC1(CC#N)CC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589062209 1093025203 /nfs/dbraw/zinc/02/52/03/1093025203.db2.gz WRURPKBQTUWNPT-UHFFFAOYSA-N -1 3 343.362 2.520 20 30 EFEDHM CC(C)(CC#N)CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001589267293 1093060906 /nfs/dbraw/zinc/06/09/06/1093060906.db2.gz OLALWVUXPZSYFL-UHFFFAOYSA-N -1 3 325.298 2.632 20 30 EFEDHM CC(C)(CC#N)CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001589267293 1093060915 /nfs/dbraw/zinc/06/09/15/1093060915.db2.gz OLALWVUXPZSYFL-UHFFFAOYSA-N -1 3 325.298 2.632 20 30 EFEDHM CC(C)(CCC#N)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001589272327 1093061536 /nfs/dbraw/zinc/06/15/36/1093061536.db2.gz JMAAKQWTWGQHLY-UHFFFAOYSA-N -1 3 333.327 2.656 20 30 EFEDHM CC(C)(CCC#N)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001589272327 1093061544 /nfs/dbraw/zinc/06/15/44/1093061544.db2.gz JMAAKQWTWGQHLY-UHFFFAOYSA-N -1 3 333.327 2.656 20 30 EFEDHM Cn1c(CCc2cccc(Cl)c2[O-])nnc1N1CCC(C#N)CC1 ZINC001650261724 1093086086 /nfs/dbraw/zinc/08/60/86/1093086086.db2.gz QBZZMVGHDDRJRG-UHFFFAOYSA-N -1 3 345.834 2.699 20 30 EFEDHM CC(C)[C@H]1C[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589499064 1093094916 /nfs/dbraw/zinc/09/49/16/1093094916.db2.gz HLXKLZVDVJCADY-IUODEOHRSA-N -1 3 326.404 2.601 20 30 EFEDHM CC(C)[C@H]1C[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589499064 1093094923 /nfs/dbraw/zinc/09/49/23/1093094923.db2.gz HLXKLZVDVJCADY-IUODEOHRSA-N -1 3 326.404 2.601 20 30 EFEDHM CC(C)C[C@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001589542115 1093104775 /nfs/dbraw/zinc/10/47/75/1093104775.db2.gz UQMNMELHKJGSHH-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)C[C@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001589542115 1093104780 /nfs/dbraw/zinc/10/47/80/1093104780.db2.gz UQMNMELHKJGSHH-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)C[C@@H]1C[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589572228 1093108090 /nfs/dbraw/zinc/10/80/90/1093108090.db2.gz PCQJRFBXBJKPQH-ZIAGYGMSSA-N -1 3 326.404 2.744 20 30 EFEDHM CC(C)C[C@@H]1C[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589572228 1093108095 /nfs/dbraw/zinc/10/80/95/1093108095.db2.gz PCQJRFBXBJKPQH-ZIAGYGMSSA-N -1 3 326.404 2.744 20 30 EFEDHM CC(C)c1nc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)co1 ZINC001589775324 1093142811 /nfs/dbraw/zinc/14/28/11/1093142811.db2.gz KXTRNNUPWMBIGW-SNAWJCMRSA-N -1 3 349.354 2.522 20 30 EFEDHM CC(C)c1nc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)co1 ZINC001589775324 1093142814 /nfs/dbraw/zinc/14/28/14/1093142814.db2.gz KXTRNNUPWMBIGW-SNAWJCMRSA-N -1 3 349.354 2.522 20 30 EFEDHM C[C@@H](CC#N)NCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001589787423 1093147392 /nfs/dbraw/zinc/14/73/92/1093147392.db2.gz KVTYLSPRJNJKET-AWEZNQCLSA-N -1 3 348.410 2.837 20 30 EFEDHM C[C@@H](CC#N)NCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001589787423 1093147395 /nfs/dbraw/zinc/14/73/95/1093147395.db2.gz KVTYLSPRJNJKET-AWEZNQCLSA-N -1 3 348.410 2.837 20 30 EFEDHM C[C@@H](CC#N)Nc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589788272 1093149075 /nfs/dbraw/zinc/14/90/75/1093149075.db2.gz VXUBWVIZUJIADU-NSHDSACASA-N -1 3 336.403 2.506 20 30 EFEDHM C[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC001589875295 1093163175 /nfs/dbraw/zinc/16/31/75/1093163175.db2.gz DEOUCODPHDBQFY-ZDUSSCGKSA-N -1 3 345.410 2.601 20 30 EFEDHM C[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC001589875295 1093163183 /nfs/dbraw/zinc/16/31/83/1093163183.db2.gz DEOUCODPHDBQFY-ZDUSSCGKSA-N -1 3 345.410 2.601 20 30 EFEDHM C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589921522 1093180688 /nfs/dbraw/zinc/18/06/88/1093180688.db2.gz LYHNFXNNLHIVEP-CYBMUJFWSA-N -1 3 346.394 2.548 20 30 EFEDHM C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589921522 1093180690 /nfs/dbraw/zinc/18/06/90/1093180690.db2.gz LYHNFXNNLHIVEP-CYBMUJFWSA-N -1 3 346.394 2.548 20 30 EFEDHM C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001590004620 1093216152 /nfs/dbraw/zinc/21/61/52/1093216152.db2.gz VFDFHJFXZPTNRV-CXAGYDPISA-N -1 3 347.378 2.853 20 30 EFEDHM C[C@@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001590004620 1093216157 /nfs/dbraw/zinc/21/61/57/1093216157.db2.gz VFDFHJFXZPTNRV-CXAGYDPISA-N -1 3 347.378 2.853 20 30 EFEDHM C[C@H](OC(=O)c1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001590010261 1093220722 /nfs/dbraw/zinc/22/07/22/1093220722.db2.gz OHCPPRLPMJFTFC-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](OC(=O)c1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001590010261 1093220728 /nfs/dbraw/zinc/22/07/28/1093220728.db2.gz OHCPPRLPMJFTFC-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccccc1F ZINC001590037995 1093231491 /nfs/dbraw/zinc/23/14/91/1093231491.db2.gz VXUVAMCPLRPPQR-QMMMGPOBSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccccc1F ZINC001590037995 1093231497 /nfs/dbraw/zinc/23/14/97/1093231497.db2.gz VXUVAMCPLRPPQR-QMMMGPOBSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001590055935 1093247235 /nfs/dbraw/zinc/24/72/35/1093247235.db2.gz YXTVHLJCUCLKAU-KRWDZBQOSA-N -1 3 337.387 2.512 20 30 EFEDHM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001590055935 1093247242 /nfs/dbraw/zinc/24/72/42/1093247242.db2.gz YXTVHLJCUCLKAU-KRWDZBQOSA-N -1 3 337.387 2.512 20 30 EFEDHM CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCC(F)(F)CC1 ZINC001590070879 1093249463 /nfs/dbraw/zinc/24/94/63/1093249463.db2.gz MEDFVEAUJZDYAK-UHFFFAOYSA-N -1 3 346.341 2.892 20 30 EFEDHM CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCC(F)(F)CC1 ZINC001590070879 1093249466 /nfs/dbraw/zinc/24/94/66/1093249466.db2.gz MEDFVEAUJZDYAK-UHFFFAOYSA-N -1 3 346.341 2.892 20 30 EFEDHM CC[C@@H](CC#N)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001650468090 1093286202 /nfs/dbraw/zinc/28/62/02/1093286202.db2.gz DNLPAXBJDRHKJD-JTQLQIEISA-N -1 3 330.793 2.561 20 30 EFEDHM CC1CC(C#N)(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001590179912 1093293510 /nfs/dbraw/zinc/29/35/10/1093293510.db2.gz KLZNSCKTCUQNAR-UHFFFAOYSA-N -1 3 331.763 2.503 20 30 EFEDHM CC1CC(C#N)(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001590179912 1093293516 /nfs/dbraw/zinc/29/35/16/1093293516.db2.gz KLZNSCKTCUQNAR-UHFFFAOYSA-N -1 3 331.763 2.503 20 30 EFEDHM C[C@H]1C[C@H]1CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001590217495 1093309696 /nfs/dbraw/zinc/30/96/96/1093309696.db2.gz CEYMXAVNZYVHGQ-RYUDHWBXSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@H]1C[C@H]1CNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001590217495 1093309701 /nfs/dbraw/zinc/30/97/01/1093309701.db2.gz CEYMXAVNZYVHGQ-RYUDHWBXSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@@H]1CCN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)C1 ZINC001590275909 1093356473 /nfs/dbraw/zinc/35/64/73/1093356473.db2.gz GOXUNGDZOXGWHQ-GFCCVEGCSA-N -1 3 337.431 2.639 20 30 EFEDHM C[C@@H]1CCN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)C1 ZINC001590275909 1093356479 /nfs/dbraw/zinc/35/64/79/1093356479.db2.gz GOXUNGDZOXGWHQ-GFCCVEGCSA-N -1 3 337.431 2.639 20 30 EFEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCc2ccccc21 ZINC001590312680 1093368752 /nfs/dbraw/zinc/36/87/52/1093368752.db2.gz LJAFPORYKSWMRS-CYBMUJFWSA-N -1 3 330.395 2.905 20 30 EFEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCc2ccccc21 ZINC001590312680 1093368759 /nfs/dbraw/zinc/36/87/59/1093368759.db2.gz LJAFPORYKSWMRS-CYBMUJFWSA-N -1 3 330.395 2.905 20 30 EFEDHM C[C@@H]1Cc2cc(CNc3c(C#N)cccc3-c3nnn[n-]3)ccc2O1 ZINC001590328953 1093377924 /nfs/dbraw/zinc/37/79/24/1093377924.db2.gz KZWIXFXZIOGZHF-LLVKDONJSA-N -1 3 332.367 2.674 20 30 EFEDHM C[C@@H]1Cc2cc(CNc3c(C#N)cccc3-c3nn[n-]n3)ccc2O1 ZINC001590328953 1093377932 /nfs/dbraw/zinc/37/79/32/1093377932.db2.gz KZWIXFXZIOGZHF-LLVKDONJSA-N -1 3 332.367 2.674 20 30 EFEDHM C[C@@H]1C(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CO[C@H]1C ZINC001590333638 1093381635 /nfs/dbraw/zinc/38/16/35/1093381635.db2.gz GJWLPXMBPHVVIA-YUMQZZPRSA-N -1 3 340.309 2.708 20 30 EFEDHM C[C@@H]1C(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CO[C@H]1C ZINC001590333638 1093381646 /nfs/dbraw/zinc/38/16/46/1093381646.db2.gz GJWLPXMBPHVVIA-YUMQZZPRSA-N -1 3 340.309 2.708 20 30 EFEDHM CCC(=O)c1cccc(-c2nnn[n-]2)c1OCCc1ccc(C#N)cc1 ZINC001590367013 1093391881 /nfs/dbraw/zinc/39/18/81/1093391881.db2.gz XCSNAEYWECUQFX-UHFFFAOYSA-N -1 3 347.378 2.953 20 30 EFEDHM CCC(=O)c1cccc(-c2nn[n-]n2)c1OCCc1ccc(C#N)cc1 ZINC001590367013 1093391888 /nfs/dbraw/zinc/39/18/88/1093391888.db2.gz XCSNAEYWECUQFX-UHFFFAOYSA-N -1 3 347.378 2.953 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001590372219 1093396724 /nfs/dbraw/zinc/39/67/24/1093396724.db2.gz QEEXJEGHSVGAEI-MRXNPFEDSA-N -1 3 328.376 2.532 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001590372219 1093396734 /nfs/dbraw/zinc/39/67/34/1093396734.db2.gz QEEXJEGHSVGAEI-MRXNPFEDSA-N -1 3 328.376 2.532 20 30 EFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C#CC(C)(C)C ZINC001590639999 1093528320 /nfs/dbraw/zinc/52/83/20/1093528320.db2.gz JISPNBOFZIYVSI-UHFFFAOYSA-N -1 3 326.404 2.677 20 30 EFEDHM CCCn1nc(C)c(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1C ZINC001590664144 1093535021 /nfs/dbraw/zinc/53/50/21/1093535021.db2.gz CYMSTSMPVZMITL-MDZDMXLPSA-N -1 3 336.399 2.986 20 30 EFEDHM CCCn1nc(C)c(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1C ZINC001590664144 1093535027 /nfs/dbraw/zinc/53/50/27/1093535027.db2.gz CYMSTSMPVZMITL-MDZDMXLPSA-N -1 3 336.399 2.986 20 30 EFEDHM CCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001590837357 1093591382 /nfs/dbraw/zinc/59/13/82/1093591382.db2.gz OMEUDWVRSHZTEF-UHFFFAOYSA-N -1 3 340.362 2.528 20 30 EFEDHM CCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001590837357 1093591390 /nfs/dbraw/zinc/59/13/90/1093591390.db2.gz OMEUDWVRSHZTEF-UHFFFAOYSA-N -1 3 340.362 2.528 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2cc(C#N)oc2C)c1-c1nnn[n-]1 ZINC001590872239 1093607295 /nfs/dbraw/zinc/60/72/95/1093607295.db2.gz KXUHECGMDIFFFM-UHFFFAOYSA-N -1 3 342.384 2.824 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2cc(C#N)oc2C)c1-c1nn[n-]n1 ZINC001590872239 1093607298 /nfs/dbraw/zinc/60/72/98/1093607298.db2.gz KXUHECGMDIFFFM-UHFFFAOYSA-N -1 3 342.384 2.824 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001590878681 1093611260 /nfs/dbraw/zinc/61/12/60/1093611260.db2.gz XZSBIGFTUFMBMI-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001590878681 1093611263 /nfs/dbraw/zinc/61/12/63/1093611263.db2.gz XZSBIGFTUFMBMI-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1cnc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC001590900626 1093625964 /nfs/dbraw/zinc/62/59/64/1093625964.db2.gz MROBKCQYIKPMTR-UHFFFAOYSA-N -1 3 333.808 2.985 20 30 EFEDHM CCc1cnc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC001590900626 1093625966 /nfs/dbraw/zinc/62/59/66/1093625966.db2.gz MROBKCQYIKPMTR-UHFFFAOYSA-N -1 3 333.808 2.985 20 30 EFEDHM CN(C)c1ccc(-c2nn[n-]n2)cc1CNc1ccc(F)c(C#N)c1 ZINC001591032659 1093655072 /nfs/dbraw/zinc/65/50/72/1093655072.db2.gz YKCWISUGTWBROD-UHFFFAOYSA-N -1 3 337.362 2.556 20 30 EFEDHM CN(Cc1c(F)cccc1F)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591127101 1093664991 /nfs/dbraw/zinc/66/49/91/1093664991.db2.gz XPONCXSDYBWEDY-UHFFFAOYSA-N -1 3 326.310 2.653 20 30 EFEDHM CN(Cc1c(F)cccc1F)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591127101 1093664992 /nfs/dbraw/zinc/66/49/92/1093664992.db2.gz XPONCXSDYBWEDY-UHFFFAOYSA-N -1 3 326.310 2.653 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](CC#N)c1ccccc1 ZINC001591132422 1093667890 /nfs/dbraw/zinc/66/78/90/1093667890.db2.gz NHFHQYHUKZPEJB-KRWDZBQOSA-N -1 3 346.394 2.523 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](CC#N)c1ccccc1 ZINC001591132422 1093667893 /nfs/dbraw/zinc/66/78/93/1093667893.db2.gz NHFHQYHUKZPEJB-KRWDZBQOSA-N -1 3 346.394 2.523 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)[C@H]1CCC[C@H]1C#N ZINC001591136697 1093671058 /nfs/dbraw/zinc/67/10/58/1093671058.db2.gz JEBXLQLFTOFKEJ-AAEUAGOBSA-N -1 3 348.357 2.592 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)[C@H]1CCC[C@H]1C#N ZINC001591136697 1093671060 /nfs/dbraw/zinc/67/10/60/1093671060.db2.gz JEBXLQLFTOFKEJ-AAEUAGOBSA-N -1 3 348.357 2.592 20 30 EFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC#N)c1ccccc1 ZINC001591141278 1093672761 /nfs/dbraw/zinc/67/27/61/1093672761.db2.gz GVGXFCLRIXYRMV-KRWDZBQOSA-N -1 3 346.394 2.523 20 30 EFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC#N)c1ccccc1 ZINC001591141278 1093672766 /nfs/dbraw/zinc/67/27/66/1093672766.db2.gz GVGXFCLRIXYRMV-KRWDZBQOSA-N -1 3 346.394 2.523 20 30 EFEDHM COC(=O)c1csc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001591307958 1093688205 /nfs/dbraw/zinc/68/82/05/1093688205.db2.gz UBKNJDXIESQYIE-WAYWQWQTSA-N -1 3 340.364 2.611 20 30 EFEDHM COC(=O)c1csc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001591307958 1093688208 /nfs/dbraw/zinc/68/82/08/1093688208.db2.gz UBKNJDXIESQYIE-WAYWQWQTSA-N -1 3 340.364 2.611 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)OCCCCC(C)(C)C#N ZINC001591486467 1093738021 /nfs/dbraw/zinc/73/80/21/1093738021.db2.gz VSFRMRMFHNRGAS-UHFFFAOYSA-N -1 3 343.387 2.752 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)OCCCCC(C)(C)C#N ZINC001591486467 1093738028 /nfs/dbraw/zinc/73/80/28/1093738028.db2.gz VSFRMRMFHNRGAS-UHFFFAOYSA-N -1 3 343.387 2.752 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C#N)c(Cl)c1 ZINC001591486785 1093738041 /nfs/dbraw/zinc/73/80/41/1093738041.db2.gz LKIFRTOTUCWFDB-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(C#N)c(Cl)c1 ZINC001591486785 1093738047 /nfs/dbraw/zinc/73/80/47/1093738047.db2.gz LKIFRTOTUCWFDB-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001591517754 1093747574 /nfs/dbraw/zinc/74/75/74/1093747574.db2.gz GHAMMUXVTXCLQK-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001591517754 1093747579 /nfs/dbraw/zinc/74/75/79/1093747579.db2.gz GHAMMUXVTXCLQK-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1 ZINC001591522237 1093750245 /nfs/dbraw/zinc/75/02/45/1093750245.db2.gz DSIHODAXXHSWBZ-FPYGCLRLSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1 ZINC001591522237 1093750250 /nfs/dbraw/zinc/75/02/50/1093750250.db2.gz DSIHODAXXHSWBZ-FPYGCLRLSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC001591577221 1093775649 /nfs/dbraw/zinc/77/56/49/1093775649.db2.gz XPLCIDWYRVEWKW-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC001591577221 1093775657 /nfs/dbraw/zinc/77/56/57/1093775657.db2.gz XPLCIDWYRVEWKW-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC001591583059 1093780135 /nfs/dbraw/zinc/78/01/35/1093780135.db2.gz ZOFNHFWEPOLISQ-CSKARUKUSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC001591583059 1093780141 /nfs/dbraw/zinc/78/01/41/1093780141.db2.gz ZOFNHFWEPOLISQ-CSKARUKUSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(C#N)cc3C2=O)cc1-c1nnn[n-]1 ZINC001591582657 1093781602 /nfs/dbraw/zinc/78/16/02/1093781602.db2.gz HHVODZLYKVSDSG-NSIKDUERSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(C#N)cc3C2=O)cc1-c1nn[n-]n1 ZINC001591582657 1093781610 /nfs/dbraw/zinc/78/16/10/1093781610.db2.gz HHVODZLYKVSDSG-NSIKDUERSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1ccc(NC(=O)c2cc(C)c(C#N)c(C)c2)cc1-c1nnn[n-]1 ZINC001591615709 1093798458 /nfs/dbraw/zinc/79/84/58/1093798458.db2.gz QRZSKVLGXXNXQT-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(NC(=O)c2cc(C)c(C#N)c(C)c2)cc1-c1nn[n-]n1 ZINC001591615709 1093798467 /nfs/dbraw/zinc/79/84/67/1093798467.db2.gz QRZSKVLGXXNXQT-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)c(OC)c1)C2 ZINC001591625581 1093803193 /nfs/dbraw/zinc/80/31/93/1093803193.db2.gz MYKXVAVFYKPKFN-QPEQYQDCSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)c(OC)c1)C2 ZINC001591625581 1093803200 /nfs/dbraw/zinc/80/32/00/1093803200.db2.gz MYKXVAVFYKPKFN-QPEQYQDCSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc2c(c1F)CC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC001591628558 1093806307 /nfs/dbraw/zinc/80/63/07/1093806307.db2.gz FTXJRBBVURMGPN-XBXARRHUSA-N -1 3 342.355 2.898 20 30 EFEDHM COc1ccc2c(c1F)CC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC001591628558 1093806309 /nfs/dbraw/zinc/80/63/09/1093806309.db2.gz FTXJRBBVURMGPN-XBXARRHUSA-N -1 3 342.355 2.898 20 30 EFEDHM COc1ncc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001591663139 1093822926 /nfs/dbraw/zinc/82/29/26/1093822926.db2.gz UIMNJNHGNJGHGQ-WAYWQWQTSA-N -1 3 341.758 2.820 20 30 EFEDHM COc1ncc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001591663139 1093822930 /nfs/dbraw/zinc/82/29/30/1093822930.db2.gz UIMNJNHGNJGHGQ-WAYWQWQTSA-N -1 3 341.758 2.820 20 30 EFEDHM CSc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001591707346 1093835638 /nfs/dbraw/zinc/83/56/38/1093835638.db2.gz HCWAVDMMDCHADC-UHFFFAOYSA-N -1 3 330.442 2.774 20 30 EFEDHM CSc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001591707346 1093835649 /nfs/dbraw/zinc/83/56/49/1093835649.db2.gz HCWAVDMMDCHADC-UHFFFAOYSA-N -1 3 330.442 2.774 20 30 EFEDHM Cc1c(C(=O)OCc2cc(C#N)ccc2F)cccc1-c1nnn[n-]1 ZINC001591813375 1093868466 /nfs/dbraw/zinc/86/84/66/1093868466.db2.gz QPGKNPQIQAFVBB-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C(=O)OCc2cc(C#N)ccc2F)cccc1-c1nn[n-]n1 ZINC001591813375 1093868469 /nfs/dbraw/zinc/86/84/69/1093868469.db2.gz QPGKNPQIQAFVBB-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)OCC1(C#N)CC1 ZINC001591813878 1093869313 /nfs/dbraw/zinc/86/93/13/1093869313.db2.gz XWKFQRIEWSDYNP-UHFFFAOYSA-N -1 3 339.380 2.850 20 30 EFEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)OCC1(C#N)CC1 ZINC001591813878 1093869318 /nfs/dbraw/zinc/86/93/18/1093869318.db2.gz XWKFQRIEWSDYNP-UHFFFAOYSA-N -1 3 339.380 2.850 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CNc1cccc(OCC#N)c1 ZINC001591848878 1093888097 /nfs/dbraw/zinc/88/80/97/1093888097.db2.gz PICLJLRTIOZQLY-UHFFFAOYSA-N -1 3 334.383 2.998 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CNc1cccc(OCC#N)c1 ZINC001591848878 1093888101 /nfs/dbraw/zinc/88/81/01/1093888101.db2.gz PICLJLRTIOZQLY-UHFFFAOYSA-N -1 3 334.383 2.998 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC001591856361 1093894101 /nfs/dbraw/zinc/89/41/01/1093894101.db2.gz LISOKIMKJOBJLL-IRXDYDNUSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC001591856361 1093894107 /nfs/dbraw/zinc/89/41/07/1093894107.db2.gz LISOKIMKJOBJLL-IRXDYDNUSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1CC#N ZINC001591869227 1093904412 /nfs/dbraw/zinc/90/44/12/1093904412.db2.gz PPLDWGXZOXBLSW-UHFFFAOYSA-N -1 3 333.351 2.598 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1CC#N ZINC001591869227 1093904419 /nfs/dbraw/zinc/90/44/19/1093904419.db2.gz PPLDWGXZOXBLSW-UHFFFAOYSA-N -1 3 333.351 2.598 20 30 EFEDHM Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)cc(C)c1-c1nnn[n-]1 ZINC001591909029 1093912505 /nfs/dbraw/zinc/91/25/05/1093912505.db2.gz SDHCESWDBWZOSJ-UHFFFAOYSA-N -1 3 340.431 2.886 20 30 EFEDHM Cc1cc(C(=O)N(CCC#N)CC(C)(C)C)cc(C)c1-c1nn[n-]n1 ZINC001591909029 1093912510 /nfs/dbraw/zinc/91/25/10/1093912510.db2.gz SDHCESWDBWZOSJ-UHFFFAOYSA-N -1 3 340.431 2.886 20 30 EFEDHM Cc1cc(C#N)ccc1-c1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001591906556 1093913466 /nfs/dbraw/zinc/91/34/66/1093913466.db2.gz PMFKKPPULVISLS-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM Cc1cc(C#N)ccc1-c1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001591906556 1093913471 /nfs/dbraw/zinc/91/34/71/1093913471.db2.gz PMFKKPPULVISLS-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001591906378 1093913799 /nfs/dbraw/zinc/91/37/99/1093913799.db2.gz FQEJMTYIEFPWFA-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001591906378 1093913807 /nfs/dbraw/zinc/91/38/07/1093913807.db2.gz FQEJMTYIEFPWFA-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(F)c2)cc(C)c1-c1nnn[n-]1 ZINC001591933738 1093921774 /nfs/dbraw/zinc/92/17/74/1093921774.db2.gz ZSVZCILGXJJZDJ-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(F)c2)cc(C)c1-c1nn[n-]n1 ZINC001591933738 1093921778 /nfs/dbraw/zinc/92/17/78/1093921778.db2.gz ZSVZCILGXJJZDJ-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(F)F)oc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001591939620 1093922975 /nfs/dbraw/zinc/92/29/75/1093922975.db2.gz MQGHILNFTLCIOC-UHFFFAOYSA-N -1 3 344.281 2.830 20 30 EFEDHM Cc1cc(C(F)F)oc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001591939620 1093922981 /nfs/dbraw/zinc/92/29/81/1093922981.db2.gz MQGHILNFTLCIOC-UHFFFAOYSA-N -1 3 344.281 2.830 20 30 EFEDHM Cc1cc(C=C2c3ccc(-c4nnn[n-]4)cc3NC2=O)ccc1C#N ZINC001591958655 1093933323 /nfs/dbraw/zinc/93/33/23/1093933323.db2.gz FKEKEZJGFWMOCA-CHHVJCJISA-N -1 3 328.335 2.540 20 30 EFEDHM Cc1cc(C=C2c3ccc(-c4nn[n-]n4)cc3NC2=O)ccc1C#N ZINC001591958655 1093933327 /nfs/dbraw/zinc/93/33/27/1093933327.db2.gz FKEKEZJGFWMOCA-CHHVJCJISA-N -1 3 328.335 2.540 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1cccc(F)c1C#N ZINC001591987515 1093949218 /nfs/dbraw/zinc/94/92/18/1093949218.db2.gz OUXNVWPLMJWWLD-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1cccc(F)c1C#N ZINC001591987515 1093949224 /nfs/dbraw/zinc/94/92/24/1093949224.db2.gz OUXNVWPLMJWWLD-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)CC(C)(C)C#N ZINC001591991247 1093949414 /nfs/dbraw/zinc/94/94/14/1093949414.db2.gz PCFOECQHZZWWQF-UHFFFAOYSA-N -1 3 339.378 2.848 20 30 EFEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)CC(C)(C)C#N ZINC001591991247 1093949418 /nfs/dbraw/zinc/94/94/18/1093949418.db2.gz PCFOECQHZZWWQF-UHFFFAOYSA-N -1 3 339.378 2.848 20 30 EFEDHM Cc1cc(F)ccc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001591992619 1093950105 /nfs/dbraw/zinc/95/01/05/1093950105.db2.gz SHYNHCXAWGFJKZ-NTUHNPAUSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1cc(F)ccc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001591992619 1093950109 /nfs/dbraw/zinc/95/01/09/1093950109.db2.gz SHYNHCXAWGFJKZ-NTUHNPAUSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1cc(N(C)C[C@@H](C)C#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC001591993753 1093950144 /nfs/dbraw/zinc/95/01/44/1093950144.db2.gz CBTIMWSUMHYHRW-NSHDSACASA-N -1 3 346.398 2.572 20 30 EFEDHM Cc1cc(N(C)C[C@@H](C)C#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC001591993753 1093950148 /nfs/dbraw/zinc/95/01/48/1093950148.db2.gz CBTIMWSUMHYHRW-NSHDSACASA-N -1 3 346.398 2.572 20 30 EFEDHM Cc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ncc1C#N ZINC001592000068 1093951355 /nfs/dbraw/zinc/95/13/55/1093951355.db2.gz OGZKQPMWGIIEHP-UHFFFAOYSA-N -1 3 343.394 2.736 20 30 EFEDHM Cc1cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ncc1C#N ZINC001592000068 1093951357 /nfs/dbraw/zinc/95/13/57/1093951357.db2.gz OGZKQPMWGIIEHP-UHFFFAOYSA-N -1 3 343.394 2.736 20 30 EFEDHM Cc1cc(NCC2(C#N)CCCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592041953 1093965471 /nfs/dbraw/zinc/96/54/71/1093965471.db2.gz YRTFARDMWHMSMK-UHFFFAOYSA-N -1 3 341.375 2.969 20 30 EFEDHM Cc1cc(NCC2(C#N)CCCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592041953 1093965475 /nfs/dbraw/zinc/96/54/75/1093965475.db2.gz YRTFARDMWHMSMK-UHFFFAOYSA-N -1 3 341.375 2.969 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592068355 1093974146 /nfs/dbraw/zinc/97/41/46/1093974146.db2.gz FYRNJNHOFOZVJE-VQHVLOKHSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592068355 1093974150 /nfs/dbraw/zinc/97/41/50/1093974150.db2.gz FYRNJNHOFOZVJE-VQHVLOKHSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC001592103412 1093981024 /nfs/dbraw/zinc/98/10/24/1093981024.db2.gz CLYJYBSCXWEVHU-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC001592103412 1093981032 /nfs/dbraw/zinc/98/10/32/1093981032.db2.gz CLYJYBSCXWEVHU-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1ccc(Br)c(N2CCC[C@H](C#N)C2)c1-c1nnn[n-]1 ZINC001592112489 1093984287 /nfs/dbraw/zinc/98/42/87/1093984287.db2.gz QKVNBPAAWNEXBR-SNVBAGLBSA-N -1 3 347.220 2.678 20 30 EFEDHM Cc1ccc(Br)c(N2CCC[C@H](C#N)C2)c1-c1nn[n-]n1 ZINC001592112489 1093984289 /nfs/dbraw/zinc/98/42/89/1093984289.db2.gz QKVNBPAAWNEXBR-SNVBAGLBSA-N -1 3 347.220 2.678 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001592113192 1093985142 /nfs/dbraw/zinc/98/51/42/1093985142.db2.gz IDMQENHBBHHTQH-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001592113192 1093985147 /nfs/dbraw/zinc/98/51/47/1093985147.db2.gz IDMQENHBBHHTQH-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001592113645 1093985284 /nfs/dbraw/zinc/98/52/84/1093985284.db2.gz VOGYUADOLUTYCD-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001592113645 1093985288 /nfs/dbraw/zinc/98/52/88/1093985288.db2.gz VOGYUADOLUTYCD-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001592115613 1093986794 /nfs/dbraw/zinc/98/67/94/1093986794.db2.gz SOVCZBDHZODKAW-VURMDHGXSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001592115613 1093986795 /nfs/dbraw/zinc/98/67/95/1093986795.db2.gz SOVCZBDHZODKAW-VURMDHGXSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1-c1nnn[n-]1 ZINC001592129999 1093990953 /nfs/dbraw/zinc/99/09/53/1093990953.db2.gz PFSFNNFNGATGIK-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)cc1-c1nn[n-]n1 ZINC001592129999 1093990958 /nfs/dbraw/zinc/99/09/58/1093990958.db2.gz PFSFNNFNGATGIK-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1C#N ZINC001592133628 1093991387 /nfs/dbraw/zinc/99/13/87/1093991387.db2.gz PWROXKHTMVJRMZ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1C#N ZINC001592133628 1093991394 /nfs/dbraw/zinc/99/13/94/1093991394.db2.gz PWROXKHTMVJRMZ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C(C)(C)CNc2c(C#N)cccc2-c2nnn[n-]2)nc1 ZINC001592133807 1093991835 /nfs/dbraw/zinc/99/18/35/1093991835.db2.gz BZVRPXYSGWUUCZ-UHFFFAOYSA-N -1 3 333.399 2.832 20 30 EFEDHM Cc1ccc(C(C)(C)CNc2c(C#N)cccc2-c2nn[n-]n2)nc1 ZINC001592133807 1093991839 /nfs/dbraw/zinc/99/18/39/1093991839.db2.gz BZVRPXYSGWUUCZ-UHFFFAOYSA-N -1 3 333.399 2.832 20 30 EFEDHM Cc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592143555 1093997722 /nfs/dbraw/zinc/99/77/22/1093997722.db2.gz GSXGXMGBYRDIQL-CMDGGOBGSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592143555 1093997727 /nfs/dbraw/zinc/99/77/27/1093997727.db2.gz GSXGXMGBYRDIQL-CMDGGOBGSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(CNC(=O)CC2(C#N)CCCCC2)cc1-c1nnn[n-]1 ZINC001592160300 1094006877 /nfs/dbraw/zinc/00/68/77/1094006877.db2.gz UGGFXWZHBMYBPN-UHFFFAOYSA-N -1 3 338.415 2.656 20 30 EFEDHM Cc1ccc(CNC(=O)CC2(C#N)CCCCC2)cc1-c1nn[n-]n1 ZINC001592160300 1094006884 /nfs/dbraw/zinc/00/68/84/1094006884.db2.gz UGGFXWZHBMYBPN-UHFFFAOYSA-N -1 3 338.415 2.656 20 30 EFEDHM Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1C#N ZINC001592166622 1094010171 /nfs/dbraw/zinc/01/01/71/1094010171.db2.gz GCYMVPSLQKJDLI-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1C#N ZINC001592166622 1094010176 /nfs/dbraw/zinc/01/01/76/1094010176.db2.gz GCYMVPSLQKJDLI-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc(COC(=O)[C@@]2(C#N)CC23CCCC3)cc1-c1nnn[n-]1 ZINC001592167809 1094011546 /nfs/dbraw/zinc/01/15/46/1094011546.db2.gz UEHDBLTUHHSICL-SFHVURJKSA-N -1 3 337.383 2.692 20 30 EFEDHM Cc1ccc(COC(=O)[C@@]2(C#N)CC23CCCC3)cc1-c1nn[n-]n1 ZINC001592167809 1094011553 /nfs/dbraw/zinc/01/15/53/1094011553.db2.gz UEHDBLTUHHSICL-SFHVURJKSA-N -1 3 337.383 2.692 20 30 EFEDHM Cc1nc(C)c(C#N)c(SCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC001592353013 1094085464 /nfs/dbraw/zinc/08/54/64/1094085464.db2.gz CJGCOQHSKDPJCG-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nc(C)c(C#N)c(SCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC001592353013 1094085470 /nfs/dbraw/zinc/08/54/70/1094085470.db2.gz CJGCOQHSKDPJCG-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001592429784 1094104672 /nfs/dbraw/zinc/10/46/72/1094104672.db2.gz SMDZJAAEBPATMP-FNORWQNLSA-N -1 3 340.362 2.988 20 30 EFEDHM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001592429784 1094104678 /nfs/dbraw/zinc/10/46/78/1094104678.db2.gz SMDZJAAEBPATMP-FNORWQNLSA-N -1 3 340.362 2.988 20 30 EFEDHM Cc1nn(C(C)C)cc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001592429826 1094104781 /nfs/dbraw/zinc/10/47/81/1094104781.db2.gz VCJMPKZFZLBSTF-AUWJEWJLSA-N -1 3 334.383 2.775 20 30 EFEDHM Cc1nn(C(C)C)cc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001592429826 1094104782 /nfs/dbraw/zinc/10/47/82/1094104782.db2.gz VCJMPKZFZLBSTF-AUWJEWJLSA-N -1 3 334.383 2.775 20 30 EFEDHM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592429996 1094104910 /nfs/dbraw/zinc/10/49/10/1094104910.db2.gz ZBKDSZYJSVOKPN-ALCCZGGFSA-N -1 3 340.362 2.988 20 30 EFEDHM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592429996 1094104913 /nfs/dbraw/zinc/10/49/13/1094104913.db2.gz ZBKDSZYJSVOKPN-ALCCZGGFSA-N -1 3 340.362 2.988 20 30 EFEDHM Cc1nnc(SCc2ccc(C#N)c(F)c2)c(-c2nnn[n-]2)c1C ZINC001592449795 1094106490 /nfs/dbraw/zinc/10/64/90/1094106490.db2.gz KHOGDPMYTLSKKB-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nnc(SCc2ccc(C#N)c(F)c2)c(-c2nn[n-]n2)c1C ZINC001592449795 1094106491 /nfs/dbraw/zinc/10/64/91/1094106491.db2.gz KHOGDPMYTLSKKB-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Clc1cc(N=NC2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)ccc1-c1nnn[n-]1 ZINC001592527027 1094122476 /nfs/dbraw/zinc/12/24/76/1094122476.db2.gz YKFOFOSEDCJWKT-UOVKNHIHSA-N -1 3 344.806 2.733 20 30 EFEDHM Clc1cc(N=NC2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)ccc1-c1nn[n-]n1 ZINC001592527027 1094122479 /nfs/dbraw/zinc/12/24/79/1094122479.db2.gz YKFOFOSEDCJWKT-UOVKNHIHSA-N -1 3 344.806 2.733 20 30 EFEDHM FC(F)(F)CCON=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592615559 1094140281 /nfs/dbraw/zinc/14/02/81/1094140281.db2.gz JIVIINNGLFVOJY-UHFFFAOYSA-N -1 3 325.294 2.876 20 30 EFEDHM FC(F)(F)CCON=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592615559 1094140284 /nfs/dbraw/zinc/14/02/84/1094140284.db2.gz JIVIINNGLFVOJY-UHFFFAOYSA-N -1 3 325.294 2.876 20 30 EFEDHM Fc1cc(-c2nnn[n-]2)cc(F)c1C=NNc1ncccc1Cl ZINC001592634722 1094152056 /nfs/dbraw/zinc/15/20/56/1094152056.db2.gz HGKMEMHLJZBFRY-UHFFFAOYSA-N -1 3 335.705 2.639 20 30 EFEDHM Fc1cc(-c2nn[n-]n2)cc(F)c1C=NNc1ncccc1Cl ZINC001592634722 1094152059 /nfs/dbraw/zinc/15/20/59/1094152059.db2.gz HGKMEMHLJZBFRY-UHFFFAOYSA-N -1 3 335.705 2.639 20 30 EFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC001592670016 1094173108 /nfs/dbraw/zinc/17/31/08/1094173108.db2.gz WQMYLGFWZUIDRK-CQSZACIVSA-N -1 3 344.806 2.722 20 30 EFEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC001592670016 1094173110 /nfs/dbraw/zinc/17/31/10/1094173110.db2.gz WQMYLGFWZUIDRK-CQSZACIVSA-N -1 3 344.806 2.722 20 30 EFEDHM N#CC1(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001592667472 1094173217 /nfs/dbraw/zinc/17/32/17/1094173217.db2.gz XDRSGIVOVMQFHC-UHFFFAOYSA-N -1 3 325.372 2.774 20 30 EFEDHM N#CC1(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001592667472 1094173223 /nfs/dbraw/zinc/17/32/23/1094173223.db2.gz XDRSGIVOVMQFHC-UHFFFAOYSA-N -1 3 325.372 2.774 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(-c2nnn[n-]2)ccn1 ZINC001592669240 1094173757 /nfs/dbraw/zinc/17/37/57/1094173757.db2.gz MSKIOYFADMGUQG-MSOLQXFVSA-N -1 3 345.410 2.533 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(-c2nn[n-]n2)ccn1 ZINC001592669240 1094173760 /nfs/dbraw/zinc/17/37/60/1094173760.db2.gz MSKIOYFADMGUQG-MSOLQXFVSA-N -1 3 345.410 2.533 20 30 EFEDHM N#CCC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)CC1 ZINC001592674558 1094174221 /nfs/dbraw/zinc/17/42/21/1094174221.db2.gz FUVOZZKMXVGRDH-UHFFFAOYSA-N -1 3 337.387 2.559 20 30 EFEDHM N#CCC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)CC1 ZINC001592674558 1094174225 /nfs/dbraw/zinc/17/42/25/1094174225.db2.gz FUVOZZKMXVGRDH-UHFFFAOYSA-N -1 3 337.387 2.559 20 30 EFEDHM N#CCCC[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001592674919 1094174287 /nfs/dbraw/zinc/17/42/87/1094174287.db2.gz MTJCBQHTIVAOHE-ZDUSSCGKSA-N -1 3 339.428 2.848 20 30 EFEDHM N#CCCC[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001592674919 1094174294 /nfs/dbraw/zinc/17/42/94/1094174294.db2.gz MTJCBQHTIVAOHE-ZDUSSCGKSA-N -1 3 339.428 2.848 20 30 EFEDHM N#CC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001592674616 1094174497 /nfs/dbraw/zinc/17/44/97/1094174497.db2.gz GMCQRNJBTOIMGS-ZDUSSCGKSA-N -1 3 336.330 2.642 20 30 EFEDHM N#CC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001592674616 1094174500 /nfs/dbraw/zinc/17/45/00/1094174500.db2.gz GMCQRNJBTOIMGS-ZDUSSCGKSA-N -1 3 336.330 2.642 20 30 EFEDHM N#CCCCCCC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592674930 1094174827 /nfs/dbraw/zinc/17/48/27/1094174827.db2.gz MYJTYTYDLAKMSW-INIZCTEOSA-N -1 3 338.415 2.834 20 30 EFEDHM N#CCCCCCC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592674930 1094174831 /nfs/dbraw/zinc/17/48/31/1094174831.db2.gz MYJTYTYDLAKMSW-INIZCTEOSA-N -1 3 338.415 2.834 20 30 EFEDHM N#CC1CCC(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001592672076 1094174835 /nfs/dbraw/zinc/17/48/35/1094174835.db2.gz BZRSOCCOWAQVLM-UHFFFAOYSA-N -1 3 345.338 2.656 20 30 EFEDHM N#CC1CCC(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001592672076 1094174839 /nfs/dbraw/zinc/17/48/39/1094174839.db2.gz BZRSOCCOWAQVLM-UHFFFAOYSA-N -1 3 345.338 2.656 20 30 EFEDHM N#CC[C@H](CC(=O)OCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001592675554 1094175357 /nfs/dbraw/zinc/17/53/57/1094175357.db2.gz QSGVKKUISQYKJQ-OAHLLOKOSA-N -1 3 347.378 2.997 20 30 EFEDHM N#CC[C@H](CC(=O)OCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001592675554 1094175360 /nfs/dbraw/zinc/17/53/60/1094175360.db2.gz QSGVKKUISQYKJQ-OAHLLOKOSA-N -1 3 347.378 2.997 20 30 EFEDHM N#CC[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592675095 1094175448 /nfs/dbraw/zinc/17/54/48/1094175448.db2.gz MLAIHSZQFRFQEB-ZDUSSCGKSA-N -1 3 336.330 2.642 20 30 EFEDHM N#CC[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592675095 1094175455 /nfs/dbraw/zinc/17/54/55/1094175455.db2.gz MLAIHSZQFRFQEB-ZDUSSCGKSA-N -1 3 336.330 2.642 20 30 EFEDHM N#Cc1c(F)cccc1SCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592686291 1094176251 /nfs/dbraw/zinc/17/62/51/1094176251.db2.gz GPWMYIKYQWHHNY-UHFFFAOYSA-N -1 3 339.355 2.852 20 30 EFEDHM N#Cc1c(F)cccc1SCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592686291 1094176254 /nfs/dbraw/zinc/17/62/54/1094176254.db2.gz GPWMYIKYQWHHNY-UHFFFAOYSA-N -1 3 339.355 2.852 20 30 EFEDHM N#CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001592679968 1094176616 /nfs/dbraw/zinc/17/66/16/1094176616.db2.gz IRFDWKIHBFDKPH-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001592679968 1094176619 /nfs/dbraw/zinc/17/66/19/1094176619.db2.gz IRFDWKIHBFDKPH-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#Cc1cc(NC(=O)c2coc(C(F)F)c2)ccc1-c1nnn[n-]1 ZINC001592690211 1094177386 /nfs/dbraw/zinc/17/73/86/1094177386.db2.gz QWJVIDSSPUXBDT-UHFFFAOYSA-N -1 3 330.254 2.521 20 30 EFEDHM N#Cc1cc(NC(=O)c2coc(C(F)F)c2)ccc1-c1nn[n-]n1 ZINC001592690211 1094177387 /nfs/dbraw/zinc/17/73/87/1094177387.db2.gz QWJVIDSSPUXBDT-UHFFFAOYSA-N -1 3 330.254 2.521 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@@H]2C=CCCCCC2)nc1N ZINC001592687133 1094177712 /nfs/dbraw/zinc/17/77/12/1094177712.db2.gz MIRUKHQBRPPCKU-LLVKDONJSA-N -1 3 327.417 2.697 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@@H]2C=CCCCCC2)nc1N ZINC001592687133 1094177717 /nfs/dbraw/zinc/17/77/17/1094177717.db2.gz MIRUKHQBRPPCKU-LLVKDONJSA-N -1 3 327.417 2.697 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)nc1 ZINC001592690648 1094178474 /nfs/dbraw/zinc/17/84/74/1094178474.db2.gz OYCHHTPKVSZLOT-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)nc1 ZINC001592690648 1094178478 /nfs/dbraw/zinc/17/84/78/1094178478.db2.gz OYCHHTPKVSZLOT-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc3ccncc3s2)cc1-c1nnn[n-]1 ZINC001592695267 1094178939 /nfs/dbraw/zinc/17/89/39/1094178939.db2.gz NCXIHCHMXKPAHI-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc3ccncc3s2)cc1-c1nn[n-]n1 ZINC001592695267 1094178942 /nfs/dbraw/zinc/17/89/42/1094178942.db2.gz NCXIHCHMXKPAHI-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(CN2CCc3ccc(-c4nnn[n-]4)cc32)c(Cl)c1 ZINC001592692994 1094179128 /nfs/dbraw/zinc/17/91/28/1094179128.db2.gz UITIWZQDPZXXBM-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1ccc(CN2CCc3ccc(-c4nn[n-]n4)cc32)c(Cl)c1 ZINC001592692994 1094179131 /nfs/dbraw/zinc/17/91/31/1094179131.db2.gz UITIWZQDPZXXBM-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1ccc(C(=O)NC2(c3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC001592690977 1094179505 /nfs/dbraw/zinc/17/95/05/1094179505.db2.gz VZBQLLFFUNOUPC-UHFFFAOYSA-N -1 3 344.378 2.548 20 30 EFEDHM N#Cc1ccc(C(=O)NC2(c3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC001592690977 1094179508 /nfs/dbraw/zinc/17/95/08/1094179508.db2.gz VZBQLLFFUNOUPC-UHFFFAOYSA-N -1 3 344.378 2.548 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c(C2CC2)c1 ZINC001592696106 1094179862 /nfs/dbraw/zinc/17/98/62/1094179862.db2.gz GKSBNPWTUHGMSB-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c(C2CC2)c1 ZINC001592696106 1094179867 /nfs/dbraw/zinc/17/98/67/1094179867.db2.gz GKSBNPWTUHGMSB-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC001592696186 1094180551 /nfs/dbraw/zinc/18/05/51/1094180551.db2.gz OAWWAMJPFCQYRM-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC001592696186 1094180555 /nfs/dbraw/zinc/18/05/55/1094180555.db2.gz OAWWAMJPFCQYRM-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2csc(-c3nnn[n-]3)c2)cc1Cl ZINC001592696178 1094180648 /nfs/dbraw/zinc/18/06/48/1094180648.db2.gz NNPWJYZFWDBXKI-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001592697863 1094180671 /nfs/dbraw/zinc/18/06/71/1094180671.db2.gz VZZWRRULCZUYJL-CQSZACIVSA-N -1 3 337.774 2.886 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001592697863 1094180672 /nfs/dbraw/zinc/18/06/72/1094180672.db2.gz VZZWRRULCZUYJL-CQSZACIVSA-N -1 3 337.774 2.886 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](COc2ccccc2)C1 ZINC001592698295 1094180809 /nfs/dbraw/zinc/18/08/09/1094180809.db2.gz UVIOHVPJADHITN-AWEZNQCLSA-N -1 3 346.394 2.644 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](COc2ccccc2)C1 ZINC001592698295 1094180812 /nfs/dbraw/zinc/18/08/12/1094180812.db2.gz UVIOHVPJADHITN-AWEZNQCLSA-N -1 3 346.394 2.644 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCC1Cc2ccccc2C1 ZINC001592699493 1094181671 /nfs/dbraw/zinc/18/16/71/1094181671.db2.gz BWFLTCFLMWGXMZ-UHFFFAOYSA-N -1 3 330.395 2.955 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCC1Cc2ccccc2C1 ZINC001592699493 1094181674 /nfs/dbraw/zinc/18/16/74/1094181674.db2.gz BWFLTCFLMWGXMZ-UHFFFAOYSA-N -1 3 330.395 2.955 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc(C=O)c(F)c1F ZINC001592700811 1094181744 /nfs/dbraw/zinc/18/17/44/1094181744.db2.gz XDATZOGRIVRBQE-UHFFFAOYSA-N -1 3 327.250 2.621 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc(C=O)c(F)c1F ZINC001592700811 1094181745 /nfs/dbraw/zinc/18/17/45/1094181745.db2.gz XDATZOGRIVRBQE-UHFFFAOYSA-N -1 3 327.250 2.621 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccc(F)c(F)c1 ZINC001592699958 1094181786 /nfs/dbraw/zinc/18/17/86/1094181786.db2.gz UOUGRKOYZASZMA-UHFFFAOYSA-N -1 3 326.310 2.671 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1ccc(F)c(F)c1 ZINC001592699958 1094181793 /nfs/dbraw/zinc/18/17/93/1094181793.db2.gz UOUGRKOYZASZMA-UHFFFAOYSA-N -1 3 326.310 2.671 20 30 EFEDHM N#Cc1cccc(C(=O)N(c2cccc(-c3nnn[n-]3)c2)C2CCC2)c1 ZINC001592700477 1094182037 /nfs/dbraw/zinc/18/20/37/1094182037.db2.gz HWZWQBDPZCODFF-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1cccc(C(=O)N(c2cccc(-c3nn[n-]n3)c2)C2CCC2)c1 ZINC001592700477 1094182041 /nfs/dbraw/zinc/18/20/41/1094182041.db2.gz HWZWQBDPZCODFF-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1cccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC001592700352 1094182083 /nfs/dbraw/zinc/18/20/83/1094182083.db2.gz GAEHAIBYYKTMRN-UHFFFAOYSA-N -1 3 344.378 2.543 20 30 EFEDHM N#Cc1cccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC001592700352 1094182086 /nfs/dbraw/zinc/18/20/86/1094182086.db2.gz GAEHAIBYYKTMRN-UHFFFAOYSA-N -1 3 344.378 2.543 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1nc2ccccc2o1 ZINC001592699800 1094182227 /nfs/dbraw/zinc/18/22/27/1094182227.db2.gz NIOZAAPMGUFGIZ-UHFFFAOYSA-N -1 3 331.339 2.534 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1nc2ccccc2o1 ZINC001592699800 1094182230 /nfs/dbraw/zinc/18/22/30/1094182230.db2.gz NIOZAAPMGUFGIZ-UHFFFAOYSA-N -1 3 331.339 2.534 20 30 EFEDHM N#Cc1cccc(C#N)c1NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592700612 1094182263 /nfs/dbraw/zinc/18/22/63/1094182263.db2.gz MKWCFVQRLINLRI-UHFFFAOYSA-N -1 3 335.758 2.876 20 30 EFEDHM N#Cc1cccc(C#N)c1NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592700612 1094182267 /nfs/dbraw/zinc/18/22/67/1094182267.db2.gz MKWCFVQRLINLRI-UHFFFAOYSA-N -1 3 335.758 2.876 20 30 EFEDHM N#Cc1cncc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC001592704016 1094183167 /nfs/dbraw/zinc/18/31/67/1094183167.db2.gz NYAZZTIZXGFTOK-UHFFFAOYSA-N -1 3 349.301 2.698 20 30 EFEDHM N#Cc1cncc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC001592704016 1094183169 /nfs/dbraw/zinc/18/31/69/1094183169.db2.gz NYAZZTIZXGFTOK-UHFFFAOYSA-N -1 3 349.301 2.698 20 30 EFEDHM N#Cc1sc(NCc2ccc(-c3nnn[n-]3)c(F)c2)nc1Cl ZINC001592711571 1094184572 /nfs/dbraw/zinc/18/45/72/1094184572.db2.gz JHWQQCFNVPZBOW-UHFFFAOYSA-N -1 3 335.755 2.599 20 30 EFEDHM N#Cc1sc(NCc2ccc(-c3nn[n-]n3)c(F)c2)nc1Cl ZINC001592711571 1094184575 /nfs/dbraw/zinc/18/45/75/1094184575.db2.gz JHWQQCFNVPZBOW-UHFFFAOYSA-N -1 3 335.755 2.599 20 30 EFEDHM O=C(C#Cc1ccccc1)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001592767539 1094186089 /nfs/dbraw/zinc/18/60/89/1094186089.db2.gz CLUVZDYGCVJTFC-UHFFFAOYSA-N -1 3 338.754 2.615 20 30 EFEDHM O=C(C#Cc1ccccc1)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001592767539 1094186091 /nfs/dbraw/zinc/18/60/91/1094186091.db2.gz CLUVZDYGCVJTFC-UHFFFAOYSA-N -1 3 338.754 2.615 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001592795397 1094189347 /nfs/dbraw/zinc/18/93/47/1094189347.db2.gz ZHSAHSVRZIVMQN-KTKRTIGZSA-N -1 3 348.362 2.924 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001592795397 1094189350 /nfs/dbraw/zinc/18/93/50/1094189350.db2.gz ZHSAHSVRZIVMQN-KTKRTIGZSA-N -1 3 348.362 2.924 20 30 EFEDHM O=C1c2cc([N+](=O)[O-])ccc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593376430 1094301541 /nfs/dbraw/zinc/30/15/41/1094301541.db2.gz MFXPTTPSAOAFHC-NTEUORMPSA-N -1 3 347.334 2.987 20 30 EFEDHM O=C1c2cc([N+](=O)[O-])ccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593376430 1094301552 /nfs/dbraw/zinc/30/15/52/1094301552.db2.gz MFXPTTPSAOAFHC-NTEUORMPSA-N -1 3 347.334 2.987 20 30 EFEDHM OCCC[C@H]1CCCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001593530464 1094347511 /nfs/dbraw/zinc/34/75/11/1094347511.db2.gz GXGGNBDMQDSFJE-SNVBAGLBSA-N -1 3 349.826 2.646 20 30 EFEDHM OCCC[C@H]1CCCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001593530464 1094347517 /nfs/dbraw/zinc/34/75/17/1094347517.db2.gz GXGGNBDMQDSFJE-SNVBAGLBSA-N -1 3 349.826 2.646 20 30 EFEDHM c1cc(CCNN=C2CCCCc3cc(-c4nnn[n-]4)ccc32)ccn1 ZINC001593555332 1094364104 /nfs/dbraw/zinc/36/41/04/1094364104.db2.gz YKTCELXRRJHTLE-UHFFFAOYSA-N -1 3 347.426 2.525 20 30 EFEDHM c1cc(CCNN=C2CCCCc3cc(-c4nn[n-]n4)ccc32)ccn1 ZINC001593555332 1094364111 /nfs/dbraw/zinc/36/41/11/1094364111.db2.gz YKTCELXRRJHTLE-UHFFFAOYSA-N -1 3 347.426 2.525 20 30 EFEDHM Cc1cc(C#N)ccc1CN1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001600075459 1094754962 /nfs/dbraw/zinc/75/49/62/1094754962.db2.gz ZERJURYARGEIOT-UONOGXRCSA-N -1 3 326.318 2.952 20 30 EFEDHM Cc1cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)[nH]c1C(=O)[O-] ZINC001600209869 1094885995 /nfs/dbraw/zinc/88/59/95/1094885995.db2.gz VZQNFJKZEBBRJS-UHFFFAOYSA-N -1 3 349.394 2.583 20 30 EFEDHM Cc1ccccc1[C@H](C(=O)[O-])N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001600567494 1095170116 /nfs/dbraw/zinc/17/01/16/1095170116.db2.gz NTRYJVUBBQRIPB-HXUWFJFHSA-N -1 3 349.434 2.810 20 30 EFEDHM Cn1c(C(=O)[O-])ccc1C(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC001600902121 1095415738 /nfs/dbraw/zinc/41/57/38/1095415738.db2.gz FBILBGIYVCUWDF-SECBINFHSA-N -1 3 331.397 2.967 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc(C(=O)[O-])s1 ZINC001600908342 1095421318 /nfs/dbraw/zinc/42/13/18/1095421318.db2.gz ARAZMENYEGESPO-SECBINFHSA-N -1 3 325.349 2.823 20 30 EFEDHM N#Cc1ccccc1NC(=O)CCN1CCc2ccc(C(=O)[O-])cc2C1 ZINC001601125911 1095530893 /nfs/dbraw/zinc/53/08/93/1095530893.db2.gz RJOAKYHDPGOBNO-UHFFFAOYSA-N -1 3 349.390 2.643 20 30 EFEDHM C#C[C@H](NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001602688468 1096350935 /nfs/dbraw/zinc/35/09/35/1096350935.db2.gz KBFYMNIEKNVTGU-KSSFIOAISA-N -1 3 345.406 2.536 20 30 EFEDHM C#C[C@H](NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001602688468 1096350943 /nfs/dbraw/zinc/35/09/43/1096350943.db2.gz KBFYMNIEKNVTGU-KSSFIOAISA-N -1 3 345.406 2.536 20 30 EFEDHM C#CC1(Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC001602691169 1096351815 /nfs/dbraw/zinc/35/18/15/1096351815.db2.gz USCJRKPHJQIQSP-UHFFFAOYSA-N -1 3 349.354 2.681 20 30 EFEDHM C#CC1(Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCCC1 ZINC001602691169 1096351821 /nfs/dbraw/zinc/35/18/21/1096351821.db2.gz USCJRKPHJQIQSP-UHFFFAOYSA-N -1 3 349.354 2.681 20 30 EFEDHM C#C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC001602697139 1096353810 /nfs/dbraw/zinc/35/38/10/1096353810.db2.gz SGMOSOMBPMIKBU-SNVBAGLBSA-N -1 3 340.337 2.543 20 30 EFEDHM C#C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC001602697139 1096353817 /nfs/dbraw/zinc/35/38/17/1096353817.db2.gz SGMOSOMBPMIKBU-SNVBAGLBSA-N -1 3 340.337 2.543 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001602697940 1096354008 /nfs/dbraw/zinc/35/40/08/1096354008.db2.gz WJVPDNZUEWIEKB-KRWDZBQOSA-N -1 3 345.406 2.540 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001602697940 1096354015 /nfs/dbraw/zinc/35/40/15/1096354015.db2.gz WJVPDNZUEWIEKB-KRWDZBQOSA-N -1 3 345.406 2.540 20 30 EFEDHM C#CCCCCCSc1nc(C(=O)OCC)ccc1-c1nnn[n-]1 ZINC001602711322 1096355032 /nfs/dbraw/zinc/35/50/32/1096355032.db2.gz QHNVJUZVWLUNQV-UHFFFAOYSA-N -1 3 345.428 2.724 20 30 EFEDHM C#CCCCCCSc1nc(C(=O)OCC)ccc1-c1nn[n-]n1 ZINC001602711322 1096355037 /nfs/dbraw/zinc/35/50/37/1096355037.db2.gz QHNVJUZVWLUNQV-UHFFFAOYSA-N -1 3 345.428 2.724 20 30 EFEDHM C#CCCC[C@@H](C)OC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602705908 1096355082 /nfs/dbraw/zinc/35/50/82/1096355082.db2.gz HHTXVHUCHLXKSE-ZIAGYGMSSA-N -1 3 326.400 2.781 20 30 EFEDHM C#CCCC[C@@H](C)OC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602705908 1096355089 /nfs/dbraw/zinc/35/50/89/1096355089.db2.gz HHTXVHUCHLXKSE-ZIAGYGMSSA-N -1 3 326.400 2.781 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602717959 1096356575 /nfs/dbraw/zinc/35/65/75/1096356575.db2.gz KFCDYRKZZNCAPU-UHFFFAOYSA-N -1 3 339.349 2.780 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602717959 1096356580 /nfs/dbraw/zinc/35/65/80/1096356580.db2.gz KFCDYRKZZNCAPU-UHFFFAOYSA-N -1 3 339.349 2.780 20 30 EFEDHM C#CCNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC001602722237 1096357223 /nfs/dbraw/zinc/35/72/23/1096357223.db2.gz HVMRBQUSPKMTJW-UHFFFAOYSA-N -1 3 349.419 2.522 20 30 EFEDHM C#CCNC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC001602722237 1096357230 /nfs/dbraw/zinc/35/72/30/1096357230.db2.gz HVMRBQUSPKMTJW-UHFFFAOYSA-N -1 3 349.419 2.522 20 30 EFEDHM C#Cc1ccc(N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC001602741717 1096359187 /nfs/dbraw/zinc/35/91/87/1096359187.db2.gz XCLKLCMFDUJOIQ-UHFFFAOYSA-N -1 3 330.395 2.627 20 30 EFEDHM C(=NNC1CCCCC1)c1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001602745312 1096361723 /nfs/dbraw/zinc/36/17/23/1096361723.db2.gz ADIURDFKXBVIPU-UHFFFAOYSA-N -1 3 349.442 2.973 20 30 EFEDHM C(=NNC1CCCCC1)c1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001602745312 1096361729 /nfs/dbraw/zinc/36/17/29/1096361729.db2.gz ADIURDFKXBVIPU-UHFFFAOYSA-N -1 3 349.442 2.973 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001602751113 1096363079 /nfs/dbraw/zinc/36/30/79/1096363079.db2.gz ANBGIYVIBUCDTM-HNNXBMFYSA-N -1 3 325.416 2.963 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001602751113 1096363090 /nfs/dbraw/zinc/36/30/90/1096363090.db2.gz ANBGIYVIBUCDTM-HNNXBMFYSA-N -1 3 325.416 2.963 20 30 EFEDHM C=C(C)C(C)(C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001602751151 1096363483 /nfs/dbraw/zinc/36/34/83/1096363483.db2.gz BQDAXPJDTKVDFA-UHFFFAOYSA-N -1 3 345.472 2.818 20 30 EFEDHM C=C(C)C(C)(C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001602751151 1096363491 /nfs/dbraw/zinc/36/34/91/1096363491.db2.gz BQDAXPJDTKVDFA-UHFFFAOYSA-N -1 3 345.472 2.818 20 30 EFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC001602762831 1096365860 /nfs/dbraw/zinc/36/58/60/1096365860.db2.gz KHLCGAGXYKEBNB-GHXNOFRVSA-N -1 3 343.437 2.644 20 30 EFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC001602762831 1096365867 /nfs/dbraw/zinc/36/58/67/1096365867.db2.gz KHLCGAGXYKEBNB-GHXNOFRVSA-N -1 3 343.437 2.644 20 30 EFEDHM C=C(CC(C)C)C(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602770049 1096367367 /nfs/dbraw/zinc/36/73/67/1096367367.db2.gz SGLKJKXNGIKYFS-UHFFFAOYSA-N -1 3 327.432 2.906 20 30 EFEDHM C=C(CC(C)C)C(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602770049 1096367375 /nfs/dbraw/zinc/36/73/75/1096367375.db2.gz SGLKJKXNGIKYFS-UHFFFAOYSA-N -1 3 327.432 2.906 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602786943 1096370328 /nfs/dbraw/zinc/37/03/28/1096370328.db2.gz RGBXAZAEMHIYDE-KHPPLWFESA-N -1 3 325.416 2.989 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602786943 1096370335 /nfs/dbraw/zinc/37/03/35/1096370335.db2.gz RGBXAZAEMHIYDE-KHPPLWFESA-N -1 3 325.416 2.989 20 30 EFEDHM C=C(CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC001602788958 1096371755 /nfs/dbraw/zinc/37/17/55/1096371755.db2.gz RWNVQIJAVPTIOS-UHFFFAOYSA-N -1 3 342.351 2.861 20 30 EFEDHM C=C[C@H](CC(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001602799478 1096372343 /nfs/dbraw/zinc/37/23/43/1096372343.db2.gz BVZHRBWZWHUOBW-CYBMUJFWSA-N -1 3 334.383 2.584 20 30 EFEDHM C=C[C@H](CC(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001602799478 1096372353 /nfs/dbraw/zinc/37/23/53/1096372353.db2.gz BVZHRBWZWHUOBW-CYBMUJFWSA-N -1 3 334.383 2.584 20 30 EFEDHM C=C[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001602803314 1096374204 /nfs/dbraw/zinc/37/42/04/1096374204.db2.gz LAVPCOSQOSAAFU-RISCZKNCSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001602803314 1096374213 /nfs/dbraw/zinc/37/42/13/1096374213.db2.gz LAVPCOSQOSAAFU-RISCZKNCSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccccc1 ZINC001602803519 1096374230 /nfs/dbraw/zinc/37/42/30/1096374230.db2.gz NIOJCGLOTAKVJQ-CYBMUJFWSA-N -1 3 341.758 2.999 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602811801 1096375514 /nfs/dbraw/zinc/37/55/14/1096375514.db2.gz PXZYWVSFSVUSLV-UKRRQHHQSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602811801 1096375516 /nfs/dbraw/zinc/37/55/16/1096375516.db2.gz PXZYWVSFSVUSLV-UKRRQHHQSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CCC(C)(C)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001602808674 1096375531 /nfs/dbraw/zinc/37/55/31/1096375531.db2.gz IFQJJIVUEPZDIH-UHFFFAOYSA-N -1 3 325.372 2.765 20 30 EFEDHM C=CCC(C)(C)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001602808674 1096375541 /nfs/dbraw/zinc/37/55/41/1096375541.db2.gz IFQJJIVUEPZDIH-UHFFFAOYSA-N -1 3 325.372 2.765 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001602823325 1096376960 /nfs/dbraw/zinc/37/69/60/1096376960.db2.gz JYEOYOSCRZCNPU-GOEBONIOSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001602823325 1096376969 /nfs/dbraw/zinc/37/69/69/1096376969.db2.gz JYEOYOSCRZCNPU-GOEBONIOSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602825279 1096378111 /nfs/dbraw/zinc/37/81/11/1096378111.db2.gz WVIXQHVHUHOUSM-CYBMUJFWSA-N -1 3 343.456 2.525 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602825279 1096378120 /nfs/dbraw/zinc/37/81/20/1096378120.db2.gz WVIXQHVHUHOUSM-CYBMUJFWSA-N -1 3 343.456 2.525 20 30 EFEDHM C=CCC[C@H](C(=O)NCc1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602827289 1096378305 /nfs/dbraw/zinc/37/83/05/1096378305.db2.gz SZRPJYRVFIIRTI-KRWDZBQOSA-N -1 3 348.410 2.628 20 30 EFEDHM C=CCC[C@H](C(=O)NCc1cncc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602827289 1096378314 /nfs/dbraw/zinc/37/83/14/1096378314.db2.gz SZRPJYRVFIIRTI-KRWDZBQOSA-N -1 3 348.410 2.628 20 30 EFEDHM C=CCCCCCN(C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001602837704 1096380664 /nfs/dbraw/zinc/38/06/64/1096380664.db2.gz FRUFXENYKCKJDI-UHFFFAOYSA-N -1 3 334.811 2.734 20 30 EFEDHM C=CCCCCCN(C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001602837704 1096380670 /nfs/dbraw/zinc/38/06/70/1096380670.db2.gz FRUFXENYKCKJDI-UHFFFAOYSA-N -1 3 334.811 2.734 20 30 EFEDHM C=CC[C@H](C(=O)[O-])N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001602835888 1096380867 /nfs/dbraw/zinc/38/08/67/1096380867.db2.gz YCZUWKPRQORINK-ZIAGYGMSSA-N -1 3 327.327 2.691 20 30 EFEDHM C=CCCCCCNC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602838069 1096380956 /nfs/dbraw/zinc/38/09/56/1096380956.db2.gz OCMGIKQSSMLKPG-AWEZNQCLSA-N -1 3 327.432 2.908 20 30 EFEDHM C=CCCCCCNC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602838069 1096380964 /nfs/dbraw/zinc/38/09/64/1096380964.db2.gz OCMGIKQSSMLKPG-AWEZNQCLSA-N -1 3 327.432 2.908 20 30 EFEDHM C=CCCCCNC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602838153 1096381724 /nfs/dbraw/zinc/38/17/24/1096381724.db2.gz RUZMOOBQSNJEMN-UHFFFAOYSA-N -1 3 340.431 2.921 20 30 EFEDHM C=CCCCCNC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602838153 1096381733 /nfs/dbraw/zinc/38/17/33/1096381733.db2.gz RUZMOOBQSNJEMN-UHFFFAOYSA-N -1 3 340.431 2.921 20 30 EFEDHM C=CCCCCCNC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602838070 1096381968 /nfs/dbraw/zinc/38/19/68/1096381968.db2.gz OCMGIKQSSMLKPG-CQSZACIVSA-N -1 3 327.432 2.908 20 30 EFEDHM C=CCCCCCNC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602838070 1096381973 /nfs/dbraw/zinc/38/19/73/1096381973.db2.gz OCMGIKQSSMLKPG-CQSZACIVSA-N -1 3 327.432 2.908 20 30 EFEDHM C=CCN(CC=C)Cc1cc(-c2nnn[n-]2)ccc1Br ZINC001602849497 1096384763 /nfs/dbraw/zinc/38/47/63/1096384763.db2.gz ASURWAYROKOJFQ-UHFFFAOYSA-N -1 3 334.221 2.803 20 30 EFEDHM C=CCN(CC=C)Cc1cc(-c2nn[n-]n2)ccc1Br ZINC001602849497 1096384770 /nfs/dbraw/zinc/38/47/70/1096384770.db2.gz ASURWAYROKOJFQ-UHFFFAOYSA-N -1 3 334.221 2.803 20 30 EFEDHM C=CCN(CCc1ccco1)C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001602851943 1096384945 /nfs/dbraw/zinc/38/49/45/1096384945.db2.gz DUHIRTRJJFHMKT-UHFFFAOYSA-N -1 3 337.383 2.639 20 30 EFEDHM C=CCN(CCc1ccco1)C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001602851943 1096384953 /nfs/dbraw/zinc/38/49/53/1096384953.db2.gz DUHIRTRJJFHMKT-UHFFFAOYSA-N -1 3 337.383 2.639 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@](C)(C=C)CC ZINC001602854214 1096385745 /nfs/dbraw/zinc/38/57/45/1096385745.db2.gz YEELGQWFBANJJZ-GOSISDBHSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@](C)(C=C)CC ZINC001602854214 1096385750 /nfs/dbraw/zinc/38/57/50/1096385750.db2.gz YEELGQWFBANJJZ-GOSISDBHSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccs1 ZINC001602856417 1096386431 /nfs/dbraw/zinc/38/64/31/1096386431.db2.gz IYDRJUGBRIWCMQ-UHFFFAOYSA-N -1 3 339.424 2.686 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccs1 ZINC001602856417 1096386438 /nfs/dbraw/zinc/38/64/38/1096386438.db2.gz IYDRJUGBRIWCMQ-UHFFFAOYSA-N -1 3 339.424 2.686 20 30 EFEDHM C=CCN(Cc1cnc(OC)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602859525 1096387943 /nfs/dbraw/zinc/38/79/43/1096387943.db2.gz BAWRNJQVBAATGA-UHFFFAOYSA-N -1 3 342.428 2.520 20 30 EFEDHM C=CCN(Cc1cnc(OC)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602859525 1096387947 /nfs/dbraw/zinc/38/79/47/1096387947.db2.gz BAWRNJQVBAATGA-UHFFFAOYSA-N -1 3 342.428 2.520 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1F ZINC001602857793 1096388392 /nfs/dbraw/zinc/38/83/92/1096388392.db2.gz BETGCDZVFJQXMV-UHFFFAOYSA-N -1 3 337.358 2.834 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1F ZINC001602857793 1096388398 /nfs/dbraw/zinc/38/83/98/1096388398.db2.gz BETGCDZVFJQXMV-UHFFFAOYSA-N -1 3 337.358 2.834 20 30 EFEDHM CC(=NNC[C@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC001602906836 1096397384 /nfs/dbraw/zinc/39/73/84/1096397384.db2.gz ZKSWQJOSWTUDBO-LLVKDONJSA-N -1 3 338.337 2.755 20 30 EFEDHM CC(=NNC[C@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC001602906836 1096397389 /nfs/dbraw/zinc/39/73/89/1096397389.db2.gz ZKSWQJOSWTUDBO-LLVKDONJSA-N -1 3 338.337 2.755 20 30 EFEDHM CC(=O)c1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC001602971272 1096411221 /nfs/dbraw/zinc/41/12/21/1096411221.db2.gz KFJYVYSEYLHENK-UHFFFAOYSA-N -1 3 336.330 2.692 20 30 EFEDHM CC(=O)c1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC001602971272 1096411226 /nfs/dbraw/zinc/41/12/26/1096411226.db2.gz KFJYVYSEYLHENK-UHFFFAOYSA-N -1 3 336.330 2.692 20 30 EFEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)ccc1F ZINC001602971140 1096412262 /nfs/dbraw/zinc/41/22/62/1096412262.db2.gz GSKFTFVBJYWXDP-UHFFFAOYSA-N -1 3 336.330 2.692 20 30 EFEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)ccc1F ZINC001602971140 1096412267 /nfs/dbraw/zinc/41/22/67/1096412267.db2.gz GSKFTFVBJYWXDP-UHFFFAOYSA-N -1 3 336.330 2.692 20 30 EFEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCCc1ccc(C#N)cc1 ZINC001602979539 1096414506 /nfs/dbraw/zinc/41/45/06/1096414506.db2.gz XBPQBFMZKAADMY-UHFFFAOYSA-N -1 3 333.351 2.562 20 30 EFEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCCc1ccc(C#N)cc1 ZINC001602979539 1096414515 /nfs/dbraw/zinc/41/45/15/1096414515.db2.gz XBPQBFMZKAADMY-UHFFFAOYSA-N -1 3 333.351 2.562 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602979545 1096415041 /nfs/dbraw/zinc/41/50/41/1096415041.db2.gz XILWWWWJBAMOQO-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602979545 1096415047 /nfs/dbraw/zinc/41/50/47/1096415047.db2.gz XILWWWWJBAMOQO-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602979145 1096415455 /nfs/dbraw/zinc/41/54/55/1096415455.db2.gz OCGOVZZEDLHGJS-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602979145 1096415457 /nfs/dbraw/zinc/41/54/57/1096415457.db2.gz OCGOVZZEDLHGJS-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM C[C@@H](C#N)CNCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001602989130 1096416515 /nfs/dbraw/zinc/41/65/15/1096416515.db2.gz OAEKLYYZTFCNDA-AWEZNQCLSA-N -1 3 348.410 2.695 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001603034372 1096421911 /nfs/dbraw/zinc/42/19/11/1096421911.db2.gz ANLIXRMXUZXGQW-UHFFFAOYSA-N -1 3 346.394 2.598 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001603034372 1096421918 /nfs/dbraw/zinc/42/19/18/1096421918.db2.gz ANLIXRMXUZXGQW-UHFFFAOYSA-N -1 3 346.394 2.598 20 30 EFEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCCC#N ZINC001603237474 1096481222 /nfs/dbraw/zinc/48/12/22/1096481222.db2.gz OTHMEOSAVRHWFQ-HNNXBMFYSA-N -1 3 343.387 2.507 20 30 EFEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCCC#N ZINC001603237474 1096481226 /nfs/dbraw/zinc/48/12/26/1096481226.db2.gz OTHMEOSAVRHWFQ-HNNXBMFYSA-N -1 3 343.387 2.507 20 30 EFEDHM CC(C)c1c(Cl)ncnc1N=NCc1cc(-c2nn[n-]n2)cs1 ZINC001603391732 1096519226 /nfs/dbraw/zinc/51/92/26/1096519226.db2.gz TUACNGVWUKKZOX-UHFFFAOYSA-N -1 3 348.823 2.941 20 30 EFEDHM C[C@H](CC(C)(C)C#N)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001603451134 1096531441 /nfs/dbraw/zinc/53/14/41/1096531441.db2.gz INLPBIOCVIWASO-GFCCVEGCSA-N -1 3 327.388 2.671 20 30 EFEDHM C[C@H](CC(C)(C)C#N)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001603451134 1096531449 /nfs/dbraw/zinc/53/14/49/1096531449.db2.gz INLPBIOCVIWASO-GFCCVEGCSA-N -1 3 327.388 2.671 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(CC#N)c1ccccc1 ZINC001603573541 1096555850 /nfs/dbraw/zinc/55/58/50/1096555850.db2.gz WQHUXXJCPHJHAH-AWEZNQCLSA-N -1 3 346.394 2.602 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC#N)c1ccccc1 ZINC001603573541 1096555855 /nfs/dbraw/zinc/55/58/55/1096555855.db2.gz WQHUXXJCPHJHAH-AWEZNQCLSA-N -1 3 346.394 2.602 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001603577394 1096557896 /nfs/dbraw/zinc/55/78/96/1096557896.db2.gz HRPJMDGYJQUUMT-XNRPHZJLSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001603577394 1096557903 /nfs/dbraw/zinc/55/79/03/1096557903.db2.gz HRPJMDGYJQUUMT-XNRPHZJLSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H](C#N)C(C)(C)C ZINC001603576643 1096558174 /nfs/dbraw/zinc/55/81/74/1096558174.db2.gz LKZZTRJYFZXTHT-SMDDNHRTSA-N -1 3 327.388 2.527 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C#N)C(C)(C)C ZINC001603576643 1096558180 /nfs/dbraw/zinc/55/81/80/1096558180.db2.gz LKZZTRJYFZXTHT-SMDDNHRTSA-N -1 3 327.388 2.527 20 30 EFEDHM C[C@@H](Nc1cc(C#N)nc(C2CC2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001603679101 1096588507 /nfs/dbraw/zinc/58/85/07/1096588507.db2.gz OUVVYVVVOWXRFY-SNVBAGLBSA-N -1 3 332.371 2.579 20 30 EFEDHM C[C@@H](Nc1cc(C#N)nc(C2CC2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001603679101 1096588513 /nfs/dbraw/zinc/58/85/13/1096588513.db2.gz OUVVYVVVOWXRFY-SNVBAGLBSA-N -1 3 332.371 2.579 20 30 EFEDHM C[C@@H](OC(=O)c1ccsc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001603704643 1096596823 /nfs/dbraw/zinc/59/68/23/1096596823.db2.gz FIIMOOVTJFXHGE-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](OC(=O)c1ccsc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001603704643 1096596828 /nfs/dbraw/zinc/59/68/28/1096596828.db2.gz FIIMOOVTJFXHGE-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCCCCC#N ZINC001603730664 1096605850 /nfs/dbraw/zinc/60/58/50/1096605850.db2.gz PRHRFRFLRNZPBZ-ZDUSSCGKSA-N -1 3 326.404 2.860 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCCCCC#N ZINC001603730664 1096605853 /nfs/dbraw/zinc/60/58/53/1096605853.db2.gz PRHRFRFLRNZPBZ-ZDUSSCGKSA-N -1 3 326.404 2.860 20 30 EFEDHM C[C@@H](c1noc([C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC001603736176 1096609280 /nfs/dbraw/zinc/60/92/80/1096609280.db2.gz GMPIRXUXWKFDSI-YGRLFVJLSA-N -1 3 335.371 2.613 20 30 EFEDHM C[C@@H](c1noc([C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC001603736176 1096609281 /nfs/dbraw/zinc/60/92/81/1096609281.db2.gz GMPIRXUXWKFDSI-YGRLFVJLSA-N -1 3 335.371 2.613 20 30 EFEDHM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1 ZINC001603737979 1096609843 /nfs/dbraw/zinc/60/98/43/1096609843.db2.gz XCHYHYXAKFQUHC-KRWDZBQOSA-N -1 3 337.387 2.512 20 30 EFEDHM C[C@@]1(C#N)CCN(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1 ZINC001603737979 1096609850 /nfs/dbraw/zinc/60/98/50/1096609850.db2.gz XCHYHYXAKFQUHC-KRWDZBQOSA-N -1 3 337.387 2.512 20 30 EFEDHM C[C@@H]1[C@](F)(Cl)[C@]1(C)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001603836118 1096641282 /nfs/dbraw/zinc/64/12/82/1096641282.db2.gz PSKOMQLKNSIOPR-ZYDDLXRUSA-N -1 3 344.181 2.873 20 30 EFEDHM C[C@@H]1[C@](F)(Cl)[C@]1(C)CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001603836118 1096641285 /nfs/dbraw/zinc/64/12/85/1096641285.db2.gz PSKOMQLKNSIOPR-ZYDDLXRUSA-N -1 3 344.181 2.873 20 30 EFEDHM C[C@H]1CCc2c(sc(NC(=O)CCCC#N)c2-c2nnn[n-]2)C1 ZINC001603908949 1096666935 /nfs/dbraw/zinc/66/69/35/1096666935.db2.gz AAPQQVFBWNTIGD-VIFPVBQESA-N -1 3 330.417 2.685 20 30 EFEDHM C[C@H]1CCc2c(sc(NC(=O)CCCC#N)c2-c2nn[n-]n2)C1 ZINC001603908949 1096666939 /nfs/dbraw/zinc/66/69/39/1096666939.db2.gz AAPQQVFBWNTIGD-VIFPVBQESA-N -1 3 330.417 2.685 20 30 EFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001603978332 1096685686 /nfs/dbraw/zinc/68/56/86/1096685686.db2.gz XTMKITKOBPLVNJ-NSHDSACASA-N -1 3 349.354 2.542 20 30 EFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001603978332 1096685689 /nfs/dbraw/zinc/68/56/89/1096685689.db2.gz XTMKITKOBPLVNJ-NSHDSACASA-N -1 3 349.354 2.542 20 30 EFEDHM CC[C@H]1COCC1N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001604116882 1096743132 /nfs/dbraw/zinc/74/31/32/1096743132.db2.gz VUFZUPNIPOUUIJ-QMMMGPOBSA-N -1 3 340.309 2.710 20 30 EFEDHM CC[C@H]1COCC1N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001604116882 1096743137 /nfs/dbraw/zinc/74/31/37/1096743137.db2.gz VUFZUPNIPOUUIJ-QMMMGPOBSA-N -1 3 340.309 2.710 20 30 EFEDHM CCN(C(=O)CC#Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604260087 1096788593 /nfs/dbraw/zinc/78/85/93/1096788593.db2.gz XLNSFXZJAFKQJO-UHFFFAOYSA-N -1 3 331.379 2.661 20 30 EFEDHM CCN(C(=O)CC#Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604260087 1096788595 /nfs/dbraw/zinc/78/85/95/1096788595.db2.gz XLNSFXZJAFKQJO-UHFFFAOYSA-N -1 3 331.379 2.661 20 30 EFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)o1 ZINC001604388407 1096833766 /nfs/dbraw/zinc/83/37/66/1096833766.db2.gz WXRISFQVDVJMTM-CLFYSBASSA-N -1 3 338.323 2.533 20 30 EFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)o1 ZINC001604388407 1096833775 /nfs/dbraw/zinc/83/37/75/1096833775.db2.gz WXRISFQVDVJMTM-CLFYSBASSA-N -1 3 338.323 2.533 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001604510923 1096886128 /nfs/dbraw/zinc/88/61/28/1096886128.db2.gz LZRJVEKHIARNCR-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001604510923 1096886135 /nfs/dbraw/zinc/88/61/35/1096886135.db2.gz LZRJVEKHIARNCR-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001604649467 1096923317 /nfs/dbraw/zinc/92/33/17/1096923317.db2.gz RRXIFNYNOJTJJE-DLBZAZTESA-N -1 3 344.378 2.505 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001604649467 1096923321 /nfs/dbraw/zinc/92/33/21/1096923321.db2.gz RRXIFNYNOJTJJE-DLBZAZTESA-N -1 3 344.378 2.505 20 30 EFEDHM CN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(C#N)c(Cl)c1 ZINC001604650163 1096923502 /nfs/dbraw/zinc/92/35/02/1096923502.db2.gz AEAKOFLXSFRCJN-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(C#N)c(Cl)c1 ZINC001604650163 1096923506 /nfs/dbraw/zinc/92/35/06/1096923506.db2.gz AEAKOFLXSFRCJN-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(Cc1cc(F)c(F)c(F)c1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001604801294 1096959205 /nfs/dbraw/zinc/95/92/05/1096959205.db2.gz YUXDACXTWZIMPA-UHFFFAOYSA-N -1 3 344.300 2.792 20 30 EFEDHM CN(Cc1cc(F)c(F)c(F)c1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001604801294 1096959210 /nfs/dbraw/zinc/95/92/10/1096959210.db2.gz YUXDACXTWZIMPA-UHFFFAOYSA-N -1 3 344.300 2.792 20 30 EFEDHM CN(Cc1cc(C#N)cs1)Cc1cccc(-c2nnn[n-]2)c1F ZINC001604801395 1096959887 /nfs/dbraw/zinc/95/98/87/1096959887.db2.gz NILGBGDADNQYRC-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CN(Cc1cc(C#N)cs1)Cc1cccc(-c2nn[n-]n2)c1F ZINC001604801395 1096959890 /nfs/dbraw/zinc/95/98/90/1096959890.db2.gz NILGBGDADNQYRC-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CCC#C[C@H](C)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001604851396 1096970210 /nfs/dbraw/zinc/97/02/10/1096970210.db2.gz QCUYRYVQLHPEJA-RQMAVPSVSA-N -1 3 335.444 2.543 20 30 EFEDHM COc1cc(C#N)ccc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001605190975 1097047875 /nfs/dbraw/zinc/04/78/75/1097047875.db2.gz BISZTPSLNDSHBK-UHFFFAOYSA-N -1 3 346.350 2.579 20 30 EFEDHM COc1cc(C#N)ccc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001605190975 1097047881 /nfs/dbraw/zinc/04/78/81/1097047881.db2.gz BISZTPSLNDSHBK-UHFFFAOYSA-N -1 3 346.350 2.579 20 30 EFEDHM COc1cc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc(OC)c1 ZINC001605205341 1097051681 /nfs/dbraw/zinc/05/16/81/1097051681.db2.gz JCZAPMVEAOFBES-FPLPWBNLSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc(OC)c1 ZINC001605205341 1097051687 /nfs/dbraw/zinc/05/16/87/1097051687.db2.gz JCZAPMVEAOFBES-FPLPWBNLSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(C#N)c(F)c2)ccc1-c1nnn[n-]1 ZINC001605206038 1097051769 /nfs/dbraw/zinc/05/17/69/1097051769.db2.gz QFYCKPRNDMMMOX-CLTKARDFSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(C#N)c(F)c2)ccc1-c1nn[n-]n1 ZINC001605206038 1097051771 /nfs/dbraw/zinc/05/17/71/1097051771.db2.gz QFYCKPRNDMMMOX-CLTKARDFSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC001605238127 1097064749 /nfs/dbraw/zinc/06/47/49/1097064749.db2.gz CMINRXXAZRSWMR-WEVVVXLNSA-N -1 3 342.355 2.898 20 30 EFEDHM COc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC001605263762 1097072541 /nfs/dbraw/zinc/07/25/41/1097072541.db2.gz NUCJXKQPUCKCGW-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM COc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC001605263762 1097072547 /nfs/dbraw/zinc/07/25/47/1097072547.db2.gz NUCJXKQPUCKCGW-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM COc1ccc2c(c1F)CC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC001605309301 1097089762 /nfs/dbraw/zinc/08/97/62/1097089762.db2.gz OIKDHKQSQXXDBJ-FLIBITNWSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc2c(c1F)CC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC001605309301 1097089768 /nfs/dbraw/zinc/08/97/68/1097089768.db2.gz OIKDHKQSQXXDBJ-FLIBITNWSA-N -1 3 336.326 2.837 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2cc(C#N)cs2)c1-c1nnn[n-]1 ZINC001605466385 1097131611 /nfs/dbraw/zinc/13/16/11/1097131611.db2.gz YLSGPRPENOAPOW-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2cc(C#N)cs2)c1-c1nn[n-]n1 ZINC001605466385 1097131613 /nfs/dbraw/zinc/13/16/13/1097131613.db2.gz YLSGPRPENOAPOW-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c(C(=O)Nc2cc(C#N)c(F)cc2F)cccc1-c1nnn[n-]1 ZINC001605480634 1097134811 /nfs/dbraw/zinc/13/48/11/1097134811.db2.gz CKNWSJAIGORJMT-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1c(C(=O)Nc2cc(C#N)c(F)cc2F)cccc1-c1nn[n-]n1 ZINC001605480634 1097134813 /nfs/dbraw/zinc/13/48/13/1097134813.db2.gz CKNWSJAIGORJMT-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001605513426 1097142750 /nfs/dbraw/zinc/14/27/50/1097142750.db2.gz LUXKWXCBXDRYRT-GXTWGEPZSA-N -1 3 325.372 2.723 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001605513426 1097142752 /nfs/dbraw/zinc/14/27/52/1097142752.db2.gz LUXKWXCBXDRYRT-GXTWGEPZSA-N -1 3 325.372 2.723 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N(C)c1cccc(C#N)c1 ZINC001605514821 1097143882 /nfs/dbraw/zinc/14/38/82/1097143882.db2.gz FGLNSRCYDBETGX-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(C)c1cccc(C#N)c1 ZINC001605514821 1097143884 /nfs/dbraw/zinc/14/38/84/1097143884.db2.gz FGLNSRCYDBETGX-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N(CC#N)c1ccccc1 ZINC001605515786 1097143910 /nfs/dbraw/zinc/14/39/10/1097143910.db2.gz NGUXUGVLWZOBHQ-UHFFFAOYSA-N -1 3 346.394 2.583 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(CC#N)c1ccccc1 ZINC001605515786 1097143913 /nfs/dbraw/zinc/14/39/13/1097143913.db2.gz NGUXUGVLWZOBHQ-UHFFFAOYSA-N -1 3 346.394 2.583 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCC#N)cc1 ZINC001605545888 1097156230 /nfs/dbraw/zinc/15/62/30/1097156230.db2.gz MBUWGYVRIFBAAR-UHFFFAOYSA-N -1 3 348.366 2.611 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCCC#N)cc1 ZINC001605545888 1097156234 /nfs/dbraw/zinc/15/62/34/1097156234.db2.gz MBUWGYVRIFBAAR-UHFFFAOYSA-N -1 3 348.366 2.611 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001605588496 1097163815 /nfs/dbraw/zinc/16/38/15/1097163815.db2.gz FIFKEVCXORSUOX-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001605588496 1097163818 /nfs/dbraw/zinc/16/38/18/1097163818.db2.gz FIFKEVCXORSUOX-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc(C)c1-c1nnn[n-]1 ZINC001605595351 1097166398 /nfs/dbraw/zinc/16/63/98/1097166398.db2.gz MINWVYLGDHGGAN-AWEZNQCLSA-N -1 3 338.415 2.638 20 30 EFEDHM Cc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc(C)c1-c1nn[n-]n1 ZINC001605595351 1097166400 /nfs/dbraw/zinc/16/64/00/1097166400.db2.gz MINWVYLGDHGGAN-AWEZNQCLSA-N -1 3 338.415 2.638 20 30 EFEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCC(C)(C)CC#N ZINC001605681966 1097192690 /nfs/dbraw/zinc/19/26/90/1097192690.db2.gz GMETZTFRXAMHHL-UHFFFAOYSA-N -1 3 339.378 2.636 20 30 EFEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCC(C)(C)CC#N ZINC001605681966 1097192692 /nfs/dbraw/zinc/19/26/92/1097192692.db2.gz GMETZTFRXAMHHL-UHFFFAOYSA-N -1 3 339.378 2.636 20 30 EFEDHM Cc1cc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ncc1-c1nnn[n-]1 ZINC001605693603 1097197058 /nfs/dbraw/zinc/19/70/58/1097197058.db2.gz AFVDVFXIRUGOLI-RDJZCZTQSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ncc1-c1nn[n-]n1 ZINC001605693603 1097197060 /nfs/dbraw/zinc/19/70/60/1097197060.db2.gz AFVDVFXIRUGOLI-RDJZCZTQSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(NC(=O)Nc2ccc(OCC#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001605713225 1097204499 /nfs/dbraw/zinc/20/44/99/1097204499.db2.gz HKEFFVYGABVDBF-UHFFFAOYSA-N -1 3 349.354 2.722 20 30 EFEDHM Cc1cc(NC(=O)Nc2ccc(OCC#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001605713225 1097204507 /nfs/dbraw/zinc/20/45/07/1097204507.db2.gz HKEFFVYGABVDBF-UHFFFAOYSA-N -1 3 349.354 2.722 20 30 EFEDHM Cc1cc(OC(=O)C=Cc2ccccc2C#N)ccc1-c1nnn[n-]1 ZINC001605745376 1097214374 /nfs/dbraw/zinc/21/43/74/1097214374.db2.gz XCQVWFPEKQZTLC-RMKNXTFCSA-N -1 3 331.335 2.666 20 30 EFEDHM Cc1cc(OC(=O)C=Cc2ccccc2C#N)ccc1-c1nn[n-]n1 ZINC001605745376 1097214377 /nfs/dbraw/zinc/21/43/77/1097214377.db2.gz XCQVWFPEKQZTLC-RMKNXTFCSA-N -1 3 331.335 2.666 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001605755231 1097216140 /nfs/dbraw/zinc/21/61/40/1097216140.db2.gz GDABZKDEXDWBBL-UHFFFAOYSA-N -1 3 349.354 2.846 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001605755231 1097216143 /nfs/dbraw/zinc/21/61/43/1097216143.db2.gz GDABZKDEXDWBBL-UHFFFAOYSA-N -1 3 349.354 2.846 20 30 EFEDHM Cc1ccc(C#N)c(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001605805707 1097232827 /nfs/dbraw/zinc/23/28/27/1097232827.db2.gz FLEIWQJXXRPDKM-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccc(C#N)c(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001605805707 1097232830 /nfs/dbraw/zinc/23/28/30/1097232830.db2.gz FLEIWQJXXRPDKM-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccc(C#N)c(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001605805706 1097233003 /nfs/dbraw/zinc/23/30/03/1097233003.db2.gz FLEIWQJXXRPDKM-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccc(C#N)c(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001605805706 1097233007 /nfs/dbraw/zinc/23/30/07/1097233007.db2.gz FLEIWQJXXRPDKM-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001605823478 1097238787 /nfs/dbraw/zinc/23/87/87/1097238787.db2.gz IIUNDPBBPUKCFN-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001605823478 1097238790 /nfs/dbraw/zinc/23/87/90/1097238790.db2.gz IIUNDPBBPUKCFN-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001605834501 1097244759 /nfs/dbraw/zinc/24/47/59/1097244759.db2.gz YGAIATHNGZSHCJ-BQYQJAHWSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001605834501 1097244762 /nfs/dbraw/zinc/24/47/62/1097244762.db2.gz YGAIATHNGZSHCJ-BQYQJAHWSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001605943271 1097283173 /nfs/dbraw/zinc/28/31/73/1097283173.db2.gz PSCAMVDKHLMMOY-DLBZAZTESA-N -1 3 344.378 2.789 20 30 EFEDHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001605943271 1097283178 /nfs/dbraw/zinc/28/31/78/1097283178.db2.gz PSCAMVDKHLMMOY-DLBZAZTESA-N -1 3 344.378 2.789 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(C2CCCC2)cc1 ZINC001606023813 1097301341 /nfs/dbraw/zinc/30/13/41/1097301341.db2.gz IZSHIQQKVBEPTQ-UHFFFAOYSA-N -1 3 333.399 2.949 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(C2CCCC2)cc1 ZINC001606023813 1097301350 /nfs/dbraw/zinc/30/13/50/1097301350.db2.gz IZSHIQQKVBEPTQ-UHFFFAOYSA-N -1 3 333.399 2.949 20 30 EFEDHM CN(CCCOc1cccc(C#N)c1)Cc1ccc(C(=O)[O-])cn1 ZINC001606126402 1097324464 /nfs/dbraw/zinc/32/44/64/1097324464.db2.gz ZCLCOEXVVBEDHX-UHFFFAOYSA-N -1 3 325.368 2.552 20 30 EFEDHM Cc1sccc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001606184992 1097341729 /nfs/dbraw/zinc/34/17/29/1097341729.db2.gz LZOAZACPKOWTKJ-CYBMUJFWSA-N -1 3 338.396 2.558 20 30 EFEDHM Cc1sccc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606184992 1097341734 /nfs/dbraw/zinc/34/17/34/1097341734.db2.gz LZOAZACPKOWTKJ-CYBMUJFWSA-N -1 3 338.396 2.558 20 30 EFEDHM FC(F)(F)CON=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001606289097 1097361463 /nfs/dbraw/zinc/36/14/63/1097361463.db2.gz UVDPTFNLRFAEKH-UHFFFAOYSA-N -1 3 325.294 2.876 20 30 EFEDHM FC(F)(F)CON=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001606289097 1097361465 /nfs/dbraw/zinc/36/14/65/1097361465.db2.gz UVDPTFNLRFAEKH-UHFFFAOYSA-N -1 3 325.294 2.876 20 30 EFEDHM C=C1CCC(C(=O)N[C@@H](C)CCNC(=O)c2ccccc2[O-])CC1 ZINC001075671105 1097373984 /nfs/dbraw/zinc/37/39/84/1097373984.db2.gz VENLXOFVQNBCHB-AWEZNQCLSA-N -1 3 330.428 2.763 20 30 EFEDHM Fc1ccc(NN=Cc2c(F)cc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC001606322547 1097382541 /nfs/dbraw/zinc/38/25/41/1097382541.db2.gz CZQFUVBLIAKQDC-UHFFFAOYSA-N -1 3 336.252 2.869 20 30 EFEDHM Fc1ccc(NN=Cc2c(F)cc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC001606322547 1097382549 /nfs/dbraw/zinc/38/25/49/1097382549.db2.gz CZQFUVBLIAKQDC-UHFFFAOYSA-N -1 3 336.252 2.869 20 30 EFEDHM N#CC1(Cc2cn(Cc3cccc(-c4nnn[n-]4)c3)nn2)CCCCC1 ZINC001606342671 1097388373 /nfs/dbraw/zinc/38/83/73/1097388373.db2.gz AXTMGKJZQLGYJY-UHFFFAOYSA-N -1 3 348.414 2.523 20 30 EFEDHM N#CC1(Cc2cn(Cc3cccc(-c4nn[n-]n4)c3)nn2)CCCCC1 ZINC001606342671 1097388379 /nfs/dbraw/zinc/38/83/79/1097388379.db2.gz AXTMGKJZQLGYJY-UHFFFAOYSA-N -1 3 348.414 2.523 20 30 EFEDHM N#CCC1(CNc2c(Br)cccc2-c2nnn[n-]2)CC1 ZINC001606345519 1097389359 /nfs/dbraw/zinc/38/93/59/1097389359.db2.gz FDMUZMIOTRBLCQ-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CCC1(CNc2c(Br)cccc2-c2nn[n-]n2)CC1 ZINC001606345519 1097389365 /nfs/dbraw/zinc/38/93/65/1097389365.db2.gz FDMUZMIOTRBLCQ-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CCCCC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001606346432 1097389644 /nfs/dbraw/zinc/38/96/44/1097389644.db2.gz QPZWRLXXVAGWEM-UHFFFAOYSA-N -1 3 339.384 2.623 20 30 EFEDHM N#CCCCC(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001606346432 1097389648 /nfs/dbraw/zinc/38/96/48/1097389648.db2.gz QPZWRLXXVAGWEM-UHFFFAOYSA-N -1 3 339.384 2.623 20 30 EFEDHM N#CC1(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001606343657 1097389736 /nfs/dbraw/zinc/38/97/36/1097389736.db2.gz QPHRQFISSNVHBJ-UHFFFAOYSA-N -1 3 345.428 2.505 20 30 EFEDHM N#CC1(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001606343657 1097389741 /nfs/dbraw/zinc/38/97/41/1097389741.db2.gz QPHRQFISSNVHBJ-UHFFFAOYSA-N -1 3 345.428 2.505 20 30 EFEDHM N#CCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001606346477 1097389984 /nfs/dbraw/zinc/38/99/84/1097389984.db2.gz RZDAZZHZINDKNQ-UHFFFAOYSA-N -1 3 346.394 2.844 20 30 EFEDHM N#CCCCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001606346477 1097389987 /nfs/dbraw/zinc/38/99/87/1097389987.db2.gz RZDAZZHZINDKNQ-UHFFFAOYSA-N -1 3 346.394 2.844 20 30 EFEDHM N#CCc1ccsc1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001606351876 1097391422 /nfs/dbraw/zinc/39/14/22/1097391422.db2.gz XTUGXYMXGIBRBB-UHFFFAOYSA-N -1 3 346.322 2.525 20 30 EFEDHM N#CCc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001606351876 1097391428 /nfs/dbraw/zinc/39/14/28/1097391428.db2.gz XTUGXYMXGIBRBB-UHFFFAOYSA-N -1 3 346.322 2.525 20 30 EFEDHM N#CCc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001606351065 1097391567 /nfs/dbraw/zinc/39/15/67/1097391567.db2.gz CBUVHGJMRFZNIR-YFHOEESVSA-N -1 3 330.351 2.585 20 30 EFEDHM N#CCc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001606351065 1097391571 /nfs/dbraw/zinc/39/15/71/1097391571.db2.gz CBUVHGJMRFZNIR-YFHOEESVSA-N -1 3 330.351 2.585 20 30 EFEDHM N#C[C@H]1CC[C@@H](COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001606354548 1097392045 /nfs/dbraw/zinc/39/20/45/1097392045.db2.gz LGZXJRZCILWDKB-GASCZTMLSA-N -1 3 339.399 2.672 20 30 EFEDHM N#C[C@H]1CC[C@@H](COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606354548 1097392051 /nfs/dbraw/zinc/39/20/51/1097392051.db2.gz LGZXJRZCILWDKB-GASCZTMLSA-N -1 3 339.399 2.672 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(F)c3occc32)ccc1-c1nnn[n-]1 ZINC001606361312 1097392167 /nfs/dbraw/zinc/39/21/67/1097392167.db2.gz MLQFLHTWERWPIL-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(F)c3occc32)ccc1-c1nn[n-]n1 ZINC001606361312 1097392173 /nfs/dbraw/zinc/39/21/73/1097392173.db2.gz MLQFLHTWERWPIL-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM N#Cc1cc(Cl)ccc1CN1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001606362081 1097392341 /nfs/dbraw/zinc/39/23/41/1097392341.db2.gz XEDHODZGYQCIDU-UHFFFAOYSA-N -1 3 336.786 2.908 20 30 EFEDHM N#Cc1cc(Cl)ccc1CN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001606362081 1097392344 /nfs/dbraw/zinc/39/23/44/1097392344.db2.gz XEDHODZGYQCIDU-UHFFFAOYSA-N -1 3 336.786 2.908 20 30 EFEDHM N#Cc1ccc(-c2nnc(C=Cc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC001606364153 1097393524 /nfs/dbraw/zinc/39/35/24/1097393524.db2.gz YEFWDEHEQUGUJS-MDZDMXLPSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccc(-c2nnc(C=Cc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC001606364153 1097393527 /nfs/dbraw/zinc/39/35/27/1097393527.db2.gz YEFWDEHEQUGUJS-MDZDMXLPSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccc(NC(=O)C[C@@H]2CCCC2(F)F)cc1-c1nnn[n-]1 ZINC001606373130 1097393726 /nfs/dbraw/zinc/39/37/26/1097393726.db2.gz ZURKDOYSOKNYJL-JTQLQIEISA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1ccc(NC(=O)C[C@@H]2CCCC2(F)F)cc1-c1nn[n-]n1 ZINC001606373130 1097393732 /nfs/dbraw/zinc/39/37/32/1097393732.db2.gz ZURKDOYSOKNYJL-JTQLQIEISA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1ccc(CSc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])c1 ZINC001606368862 1097394582 /nfs/dbraw/zinc/39/45/82/1097394582.db2.gz IMQPYYQCLYTTBZ-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1ccc(CSc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])c1 ZINC001606368862 1097394585 /nfs/dbraw/zinc/39/45/85/1097394585.db2.gz IMQPYYQCLYTTBZ-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1ccc(OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC001606377126 1097395141 /nfs/dbraw/zinc/39/51/41/1097395141.db2.gz CLJXNPGARBXBPV-UHFFFAOYSA-N -1 3 349.325 2.515 20 30 EFEDHM N#Cc1ccc(OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC001606377126 1097395148 /nfs/dbraw/zinc/39/51/48/1097395148.db2.gz CLJXNPGARBXBPV-UHFFFAOYSA-N -1 3 349.325 2.515 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3scnc3c2)cc1-c1nnn[n-]1 ZINC001606377865 1097395973 /nfs/dbraw/zinc/39/59/73/1097395973.db2.gz UHNCLFKNNHFPHU-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3scnc3c2)cc1-c1nn[n-]n1 ZINC001606377865 1097395979 /nfs/dbraw/zinc/39/59/79/1097395979.db2.gz UHNCLFKNNHFPHU-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cccc(OCCCOc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001606382073 1097396577 /nfs/dbraw/zinc/39/65/77/1097396577.db2.gz VOJVIJFVBOJQHP-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1cccc(OCCCOc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001606382073 1097396583 /nfs/dbraw/zinc/39/65/83/1097396583.db2.gz VOJVIJFVBOJQHP-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2Cc1cccc(-c2nnn[n-]2)c1F ZINC001606381471 1097396875 /nfs/dbraw/zinc/39/68/75/1097396875.db2.gz NMUQUOUGQNBYJO-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2Cc1cccc(-c2nn[n-]n2)c1F ZINC001606381471 1097396881 /nfs/dbraw/zinc/39/68/81/1097396881.db2.gz NMUQUOUGQNBYJO-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001606380821 1097396975 /nfs/dbraw/zinc/39/69/75/1097396975.db2.gz FKZSEQVFXDAVRM-GOEBONIOSA-N -1 3 338.415 2.524 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC001606380821 1097396979 /nfs/dbraw/zinc/39/69/79/1097396979.db2.gz FKZSEQVFXDAVRM-GOEBONIOSA-N -1 3 338.415 2.524 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nnn[n-]1)C2 ZINC001606382031 1097397455 /nfs/dbraw/zinc/39/74/55/1097397455.db2.gz YGXXWAUZSKNGNW-JYRVWZFOSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nn[n-]n1)C2 ZINC001606382031 1097397459 /nfs/dbraw/zinc/39/74/59/1097397459.db2.gz YGXXWAUZSKNGNW-JYRVWZFOSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccccc1OCCOc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606389406 1097397827 /nfs/dbraw/zinc/39/78/27/1097397827.db2.gz QFGUVFOXQHOQQK-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccccc1OCCOc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606389406 1097397832 /nfs/dbraw/zinc/39/78/32/1097397832.db2.gz QFGUVFOXQHOQQK-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM O=C(C=Cc1ccc(F)nc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001606482373 1097405905 /nfs/dbraw/zinc/40/59/05/1097405905.db2.gz MKEGUJAEGXWWJC-ORCRQEGFSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1ccc(F)nc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001606482373 1097405910 /nfs/dbraw/zinc/40/59/10/1097405910.db2.gz MKEGUJAEGXWWJC-ORCRQEGFSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1ccnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606487621 1097407540 /nfs/dbraw/zinc/40/75/40/1097407540.db2.gz VTVZJEGSRYFFJV-KHPPLWFESA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606487621 1097407541 /nfs/dbraw/zinc/40/75/41/1097407541.db2.gz VTVZJEGSRYFFJV-KHPPLWFESA-N -1 3 342.362 2.949 20 30 EFEDHM O=C1c2cc(O)ccc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001607036204 1097500693 /nfs/dbraw/zinc/50/06/93/1097500693.db2.gz BXOSFNFBZJHATO-KPKJPENVSA-N -1 3 336.326 2.924 20 30 EFEDHM O=C1c2cc(O)ccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001607036204 1097500701 /nfs/dbraw/zinc/50/07/01/1097500701.db2.gz BXOSFNFBZJHATO-KPKJPENVSA-N -1 3 336.326 2.924 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1cccc([N+](=O)[O-])c1 ZINC001607038234 1097501091 /nfs/dbraw/zinc/50/10/91/1097501091.db2.gz VIHRYDYBXPTXFE-AWNIVKPZSA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1cccc([N+](=O)[O-])c1 ZINC001607038234 1097501093 /nfs/dbraw/zinc/50/10/93/1097501093.db2.gz VIHRYDYBXPTXFE-AWNIVKPZSA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1C(=Cc2cccc(F)c2F)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001607037455 1097502086 /nfs/dbraw/zinc/50/20/86/1097502086.db2.gz MAHPWIUZETWQRK-IZZDOVSWSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2cccc(F)c2F)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001607037455 1097502092 /nfs/dbraw/zinc/50/20/92/1097502092.db2.gz MAHPWIUZETWQRK-IZZDOVSWSA-N -1 3 339.305 2.752 20 30 EFEDHM O=[N+]([O-])c1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC001607081077 1097507794 /nfs/dbraw/zinc/50/77/94/1097507794.db2.gz AJRZLEOMBKSCHP-UHFFFAOYSA-N -1 3 348.706 2.572 20 30 EFEDHM O=[N+]([O-])c1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC001607081077 1097507798 /nfs/dbraw/zinc/50/77/98/1097507798.db2.gz AJRZLEOMBKSCHP-UHFFFAOYSA-N -1 3 348.706 2.572 20 30 EFEDHM c1ccc2nc(N=NC3CCc4ccc(-c5nn[n-]n5)cc43)cnc2c1 ZINC001607131620 1097536029 /nfs/dbraw/zinc/53/60/29/1097536029.db2.gz GMLUOKZVVXMSQX-UHFFFAOYSA-N -1 3 342.366 2.572 20 30 EFEDHM N#CC1(CCCN2CCc3c(F)ccc(C(=O)[O-])c3C2)CCOCC1 ZINC001608175438 1097852183 /nfs/dbraw/zinc/85/21/83/1097852183.db2.gz XXYGRGYMFLQOLW-UHFFFAOYSA-N -1 3 346.402 2.983 20 30 EFEDHM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC001608204357 1097861923 /nfs/dbraw/zinc/86/19/23/1097861923.db2.gz CWMXLZXLDREHBC-SOUVJXGZSA-N -1 3 329.356 2.542 20 30 EFEDHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1F ZINC001608207630 1097863295 /nfs/dbraw/zinc/86/32/95/1097863295.db2.gz NYPGBEUODDYDNB-KRWDZBQOSA-N -1 3 326.327 2.548 20 30 EFEDHM N#Cc1cccc(OC2CCN([C@H](C(=O)[O-])c3cccnc3)CC2)c1 ZINC001608218390 1097867205 /nfs/dbraw/zinc/86/72/05/1097867205.db2.gz NHPGMLLNLSPIKT-SFHVURJKSA-N -1 3 337.379 2.622 20 30 EFEDHM O=C([O-])C1([C@@]2(O)CCCN(CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001608568923 1097958262 /nfs/dbraw/zinc/95/82/62/1097958262.db2.gz GFNAPTLQEWFYPL-LJQANCHMSA-N -1 3 347.842 2.773 20 30 EFEDHM O=C([O-])[C@@H]1[C@@H](CNCC#Cc2ccc(C(F)(F)F)cc2)C1(F)F ZINC001608595975 1097963714 /nfs/dbraw/zinc/96/37/14/1097963714.db2.gz GTMWYCZCGWHREV-NEPJUHHUSA-N -1 3 333.256 2.612 20 30 EFEDHM C#CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC001609020308 1098112681 /nfs/dbraw/zinc/11/26/81/1098112681.db2.gz YCVLFSULEUMEBM-UHFFFAOYSA-N -1 3 327.363 2.918 20 30 EFEDHM C#CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CCCCC1 ZINC001609020308 1098112685 /nfs/dbraw/zinc/11/26/85/1098112685.db2.gz YCVLFSULEUMEBM-UHFFFAOYSA-N -1 3 327.363 2.918 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)cc1C ZINC001609021139 1098113082 /nfs/dbraw/zinc/11/30/82/1098113082.db2.gz GPBOAXHSPGCPJM-UHFFFAOYSA-N -1 3 335.386 2.950 20 30 EFEDHM C#C[C@H](CCC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001609019030 1098113154 /nfs/dbraw/zinc/11/31/54/1098113154.db2.gz LBUGJIVFCDHGSR-CYBMUJFWSA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@H](CCC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001609019030 1098113159 /nfs/dbraw/zinc/11/31/59/1098113159.db2.gz LBUGJIVFCDHGSR-CYBMUJFWSA-N -1 3 342.403 2.577 20 30 EFEDHM C#Cc1cccc(NC2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001609021931 1098114329 /nfs/dbraw/zinc/11/43/29/1098114329.db2.gz MQGKIESXFKLPAK-UHFFFAOYSA-N -1 3 344.422 2.929 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001609051449 1098121326 /nfs/dbraw/zinc/12/13/26/1098121326.db2.gz ZXIZPGHPVIMJCT-NSHDSACASA-N -1 3 326.404 2.982 20 30 EFEDHM C=C(CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC001609052059 1098121551 /nfs/dbraw/zinc/12/15/51/1098121551.db2.gz JVSUPOBRNDZBOY-UHFFFAOYSA-N -1 3 338.346 2.841 20 30 EFEDHM C=C(CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC001609052059 1098121553 /nfs/dbraw/zinc/12/15/53/1098121553.db2.gz JVSUPOBRNDZBOY-UHFFFAOYSA-N -1 3 338.346 2.841 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001609051368 1098122154 /nfs/dbraw/zinc/12/21/54/1098122154.db2.gz XFUIGYJLIQVPJO-BBRMVZONSA-N -1 3 340.431 2.534 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001609051368 1098122155 /nfs/dbraw/zinc/12/21/55/1098122155.db2.gz XFUIGYJLIQVPJO-BBRMVZONSA-N -1 3 340.431 2.534 20 30 EFEDHM C=CCCCCNC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001609053365 1098122832 /nfs/dbraw/zinc/12/28/32/1098122832.db2.gz GWHIPVXVLKHSQB-UHFFFAOYSA-N -1 3 338.371 2.608 20 30 EFEDHM C=CCCCCNC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001609053365 1098122836 /nfs/dbraw/zinc/12/28/36/1098122836.db2.gz GWHIPVXVLKHSQB-UHFFFAOYSA-N -1 3 338.371 2.608 20 30 EFEDHM C=CCN(C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)C(C)C ZINC001609056160 1098124349 /nfs/dbraw/zinc/12/43/49/1098124349.db2.gz SGVNLTFOJPXSIV-INIZCTEOSA-N -1 3 340.431 2.850 20 30 EFEDHM C=CCN(C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21)C(C)C ZINC001609056160 1098124354 /nfs/dbraw/zinc/12/43/54/1098124354.db2.gz SGVNLTFOJPXSIV-INIZCTEOSA-N -1 3 340.431 2.850 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001609056262 1098124405 /nfs/dbraw/zinc/12/44/05/1098124405.db2.gz AAGSTSGSQFMVBA-DJIMGWMZSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001609056262 1098124408 /nfs/dbraw/zinc/12/44/08/1098124408.db2.gz AAGSTSGSQFMVBA-DJIMGWMZSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cnc(C2CC2)nc1 ZINC001609057220 1098124899 /nfs/dbraw/zinc/12/48/99/1098124899.db2.gz FHDKEROMSBVJHW-UHFFFAOYSA-N -1 3 347.426 2.722 20 30 EFEDHM CC(=NNCc1cc(F)ccc1F)c1ccccc1-c1nnn[n-]1 ZINC001609060802 1098126178 /nfs/dbraw/zinc/12/61/78/1098126178.db2.gz DWEADGKKYMZWPX-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1cc(F)ccc1F)c1ccccc1-c1nn[n-]n1 ZINC001609060802 1098126183 /nfs/dbraw/zinc/12/61/83/1098126183.db2.gz DWEADGKKYMZWPX-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM C=CCn1c(SCc2ccc(-c3nnn[n-]3)cc2)nnc1C1CC1 ZINC001609059286 1098126394 /nfs/dbraw/zinc/12/63/94/1098126394.db2.gz DEAAOCNAGQTNJS-UHFFFAOYSA-N -1 3 339.428 2.814 20 30 EFEDHM C=CCn1c(SCc2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1 ZINC001609059286 1098126399 /nfs/dbraw/zinc/12/63/99/1098126399.db2.gz DEAAOCNAGQTNJS-UHFFFAOYSA-N -1 3 339.428 2.814 20 30 EFEDHM CC#CCCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001609059877 1098126547 /nfs/dbraw/zinc/12/65/47/1098126547.db2.gz NTXZWQUTTTZNBM-UHFFFAOYSA-N -1 3 335.415 2.618 20 30 EFEDHM CC#CCCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001609059877 1098126550 /nfs/dbraw/zinc/12/65/50/1098126550.db2.gz NTXZWQUTTTZNBM-UHFFFAOYSA-N -1 3 335.415 2.618 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609072665 1098130957 /nfs/dbraw/zinc/13/09/57/1098130957.db2.gz ZRSXQACUCSXQIS-UHFFFAOYSA-N -1 3 327.388 2.672 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609072665 1098130962 /nfs/dbraw/zinc/13/09/62/1098130962.db2.gz ZRSXQACUCSXQIS-UHFFFAOYSA-N -1 3 327.388 2.672 20 30 EFEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001609081933 1098134880 /nfs/dbraw/zinc/13/48/80/1098134880.db2.gz WLDSNETXRGNKDT-RUDMXATFSA-N -1 3 334.383 2.850 20 30 EFEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001609081933 1098134886 /nfs/dbraw/zinc/13/48/86/1098134886.db2.gz WLDSNETXRGNKDT-RUDMXATFSA-N -1 3 334.383 2.850 20 30 EFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C#N)c1 ZINC001609082654 1098135439 /nfs/dbraw/zinc/13/54/39/1098135439.db2.gz UZHJOJQQBOUPHV-UHFFFAOYSA-N -1 3 335.371 2.547 20 30 EFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C#N)c1 ZINC001609082654 1098135445 /nfs/dbraw/zinc/13/54/45/1098135445.db2.gz UZHJOJQQBOUPHV-UHFFFAOYSA-N -1 3 335.371 2.547 20 30 EFEDHM C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609130375 1098160156 /nfs/dbraw/zinc/16/01/56/1098160156.db2.gz POXDFBIULIDBAJ-KPZWWZAWSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609130375 1098160159 /nfs/dbraw/zinc/16/01/59/1098160159.db2.gz POXDFBIULIDBAJ-KPZWWZAWSA-N -1 3 337.383 2.945 20 30 EFEDHM CC1=C(Br)CN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001609151903 1098171317 /nfs/dbraw/zinc/17/13/17/1098171317.db2.gz QMDVDPXSNOMJJI-UHFFFAOYSA-N -1 3 345.204 2.617 20 30 EFEDHM CC1=C(Br)CN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001609151903 1098171320 /nfs/dbraw/zinc/17/13/20/1098171320.db2.gz QMDVDPXSNOMJJI-UHFFFAOYSA-N -1 3 345.204 2.617 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001609183236 1098185822 /nfs/dbraw/zinc/18/58/22/1098185822.db2.gz YZTDNRPHTCNCQI-CYBMUJFWSA-N -1 3 349.192 2.508 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001609183236 1098185825 /nfs/dbraw/zinc/18/58/25/1098185825.db2.gz YZTDNRPHTCNCQI-CYBMUJFWSA-N -1 3 349.192 2.508 20 30 EFEDHM CCC1(CC)[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C[C@@H]1OC ZINC001609197238 1098195014 /nfs/dbraw/zinc/19/50/14/1098195014.db2.gz USKOTDIXGPKMGO-KBPBESRZSA-N -1 3 326.404 2.744 20 30 EFEDHM CCC1(CC)[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C[C@@H]1OC ZINC001609197238 1098195016 /nfs/dbraw/zinc/19/50/16/1098195016.db2.gz USKOTDIXGPKMGO-KBPBESRZSA-N -1 3 326.404 2.744 20 30 EFEDHM CCCC[C@H](C)N(C)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609207316 1098202417 /nfs/dbraw/zinc/20/24/17/1098202417.db2.gz CDFLOHDZLJJPKA-BBRMVZONSA-N -1 3 340.431 2.586 20 30 EFEDHM CCCN(C)c1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001609211802 1098204673 /nfs/dbraw/zinc/20/46/73/1098204673.db2.gz FUAORMLDKQWMQU-UHFFFAOYSA-N -1 3 325.420 2.639 20 30 EFEDHM CCCN(C)c1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001609211802 1098204677 /nfs/dbraw/zinc/20/46/77/1098204677.db2.gz FUAORMLDKQWMQU-UHFFFAOYSA-N -1 3 325.420 2.639 20 30 EFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CC#Cc1ccccc1 ZINC001609243222 1098217948 /nfs/dbraw/zinc/21/79/48/1098217948.db2.gz JHXVTCYETQXZQY-UHFFFAOYSA-N -1 3 347.378 2.646 20 30 EFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CC#Cc1ccccc1 ZINC001609243222 1098217950 /nfs/dbraw/zinc/21/79/50/1098217950.db2.gz JHXVTCYETQXZQY-UHFFFAOYSA-N -1 3 347.378 2.646 20 30 EFEDHM COCC1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC001609319626 1098246682 /nfs/dbraw/zinc/24/66/82/1098246682.db2.gz IESPPWOURXYIGM-UHFFFAOYSA-N -1 3 335.799 2.520 20 30 EFEDHM COCC1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC001609319626 1098246687 /nfs/dbraw/zinc/24/66/87/1098246687.db2.gz IESPPWOURXYIGM-UHFFFAOYSA-N -1 3 335.799 2.520 20 30 EFEDHM COc1cc(C=CC(=O)c2scnc2C)ccc1-c1nnn[n-]1 ZINC001609341167 1098255569 /nfs/dbraw/zinc/25/55/69/1098255569.db2.gz BLKMWRITHQGRTH-XQRVVYSFSA-N -1 3 327.369 2.536 20 30 EFEDHM COc1cc(C=CC(=O)c2scnc2C)ccc1-c1nn[n-]n1 ZINC001609341167 1098255574 /nfs/dbraw/zinc/25/55/74/1098255574.db2.gz BLKMWRITHQGRTH-XQRVVYSFSA-N -1 3 327.369 2.536 20 30 EFEDHM COc1cc(NN=Cc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC001609346587 1098258000 /nfs/dbraw/zinc/25/80/00/1098258000.db2.gz FJJPBKNXICNZGI-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM COc1cc(NN=Cc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001609346587 1098258004 /nfs/dbraw/zinc/25/80/04/1098258004.db2.gz FJJPBKNXICNZGI-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM COc1ccsc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001609364642 1098268493 /nfs/dbraw/zinc/26/84/93/1098268493.db2.gz CDGDSSQPGYCXHZ-UHFFFAOYSA-N -1 3 349.807 2.821 20 30 EFEDHM COc1ccsc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001609364642 1098268498 /nfs/dbraw/zinc/26/84/98/1098268498.db2.gz CDGDSSQPGYCXHZ-UHFFFAOYSA-N -1 3 349.807 2.821 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609379575 1098275201 /nfs/dbraw/zinc/27/52/01/1098275201.db2.gz PGARNWNSXYSSLH-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609379575 1098275206 /nfs/dbraw/zinc/27/52/06/1098275206.db2.gz PGARNWNSXYSSLH-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC001609415600 1098301019 /nfs/dbraw/zinc/30/10/19/1098301019.db2.gz AYKHVZINKKSRJU-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC001609415600 1098301024 /nfs/dbraw/zinc/30/10/24/1098301024.db2.gz AYKHVZINKKSRJU-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NCCCOc1ccc(C#N)cc1 ZINC001609416526 1098302710 /nfs/dbraw/zinc/30/27/10/1098302710.db2.gz PRIVEZGUJUYEGN-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NCCCOc1ccc(C#N)cc1 ZINC001609416526 1098302718 /nfs/dbraw/zinc/30/27/18/1098302718.db2.gz PRIVEZGUJUYEGN-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM Cc1ccc(C#N)cc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001609417353 1098303228 /nfs/dbraw/zinc/30/32/28/1098303228.db2.gz KJMDVURXMVARDY-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM Cc1sc(NC(=O)c2ccc(C)c(C#N)c2)c(-c2nnn[n-]2)c1C ZINC001609419438 1098304281 /nfs/dbraw/zinc/30/42/81/1098304281.db2.gz HLHIHGHOTXLQSX-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1sc(NC(=O)c2ccc(C)c(C#N)c2)c(-c2nn[n-]n2)c1C ZINC001609419438 1098304288 /nfs/dbraw/zinc/30/42/88/1098304288.db2.gz HLHIHGHOTXLQSX-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1sc(NC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)c(C#N)c1C ZINC001609419746 1098305165 /nfs/dbraw/zinc/30/51/65/1098305165.db2.gz ZTFZJGFSGSGHAB-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1sc(NC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)c(C#N)c1C ZINC001609419746 1098305172 /nfs/dbraw/zinc/30/51/72/1098305172.db2.gz ZTFZJGFSGSGHAB-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1-c1nnn[n-]1 ZINC001609418310 1098305338 /nfs/dbraw/zinc/30/53/38/1098305338.db2.gz FEKYGPRHOIXSTJ-QGZVFWFLSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1-c1nn[n-]n1 ZINC001609418310 1098305343 /nfs/dbraw/zinc/30/53/43/1098305343.db2.gz FEKYGPRHOIXSTJ-QGZVFWFLSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@](C)(C#N)C3)c2c1 ZINC001609429640 1098315599 /nfs/dbraw/zinc/31/55/99/1098315599.db2.gz SQZMQJRLWAWASU-GOSISDBHSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@](C)(C#N)C3)c2c1 ZINC001609429640 1098315606 /nfs/dbraw/zinc/31/56/06/1098315606.db2.gz SQZMQJRLWAWASU-GOSISDBHSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1cccc2oc(CCNc3c(C#N)cccc3-c3nnn[n-]3)nc21 ZINC001609434894 1098319324 /nfs/dbraw/zinc/31/93/24/1098319324.db2.gz MMKHPEWLXDKTFP-UHFFFAOYSA-N -1 3 345.366 2.843 20 30 EFEDHM Cc1cccc2oc(CCNc3c(C#N)cccc3-c3nn[n-]n3)nc21 ZINC001609434894 1098319333 /nfs/dbraw/zinc/31/93/33/1098319333.db2.gz MMKHPEWLXDKTFP-UHFFFAOYSA-N -1 3 345.366 2.843 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(Cl)cc1Cl ZINC001609446509 1098328171 /nfs/dbraw/zinc/32/81/71/1098328171.db2.gz GTGADTAQODDAFT-UHFFFAOYSA-N -1 3 334.170 2.598 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(Cl)cc1Cl ZINC001609446509 1098328178 /nfs/dbraw/zinc/32/81/78/1098328178.db2.gz GTGADTAQODDAFT-UHFFFAOYSA-N -1 3 334.170 2.598 20 30 EFEDHM C=CCOC[C@@H](NCc1cc(Br)ccc1Cl)C(=O)[O-] ZINC001609452241 1098331757 /nfs/dbraw/zinc/33/17/57/1098331757.db2.gz BBVPNPXOKOCTSY-GFCCVEGCSA-N -1 3 348.624 2.848 20 30 EFEDHM Cc1nocc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609463438 1098336120 /nfs/dbraw/zinc/33/61/20/1098336120.db2.gz OGDXOCWBVGIYJH-UHFFFAOYSA-N -1 3 337.265 2.628 20 30 EFEDHM Cc1nocc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609463438 1098336125 /nfs/dbraw/zinc/33/61/25/1098336125.db2.gz OGDXOCWBVGIYJH-UHFFFAOYSA-N -1 3 337.265 2.628 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc3c(c2)CCC3)n1 ZINC001609472297 1098343372 /nfs/dbraw/zinc/34/33/72/1098343372.db2.gz XWVWHRAUILKWJZ-UHFFFAOYSA-N -1 3 339.790 2.850 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc3c(c2)CCC3)n1 ZINC001609472297 1098343382 /nfs/dbraw/zinc/34/33/82/1098343382.db2.gz XWVWHRAUILKWJZ-UHFFFAOYSA-N -1 3 339.790 2.850 20 30 EFEDHM Cn1c2ccccc2nc1N=NCCCc1ccc(-c2nnn[n-]2)cc1 ZINC001609477108 1098349234 /nfs/dbraw/zinc/34/92/34/1098349234.db2.gz YEMWYIUWKIFBOG-UHFFFAOYSA-N -1 3 346.398 2.784 20 30 EFEDHM Cn1c2ccccc2nc1N=NCCCc1ccc(-c2nn[n-]n2)cc1 ZINC001609477108 1098349240 /nfs/dbraw/zinc/34/92/40/1098349240.db2.gz YEMWYIUWKIFBOG-UHFFFAOYSA-N -1 3 346.398 2.784 20 30 EFEDHM Fc1ccc(CNN=C2CCc3ccc(-c4nnn[n-]4)cc32)c(F)c1 ZINC001609490778 1098358028 /nfs/dbraw/zinc/35/80/28/1098358028.db2.gz XIDQWEUICCZQOQ-UHFFFAOYSA-N -1 3 340.337 2.585 20 30 EFEDHM Fc1ccc(CNN=C2CCc3ccc(-c4nn[n-]n4)cc32)c(F)c1 ZINC001609490778 1098358036 /nfs/dbraw/zinc/35/80/36/1098358036.db2.gz XIDQWEUICCZQOQ-UHFFFAOYSA-N -1 3 340.337 2.585 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001609493806 1098359700 /nfs/dbraw/zinc/35/97/00/1098359700.db2.gz PYCRFPQGECJIAF-ZBFHGGJFSA-N -1 3 349.373 2.677 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001609493806 1098359708 /nfs/dbraw/zinc/35/97/08/1098359708.db2.gz PYCRFPQGECJIAF-ZBFHGGJFSA-N -1 3 349.373 2.677 20 30 EFEDHM N#CCN(C(=O)c1cc(-c2nnn[n-]2)ccc1Cl)c1ccccc1 ZINC001609495456 1098360405 /nfs/dbraw/zinc/36/04/05/1098360405.db2.gz OADINQVTDBVOFQ-UHFFFAOYSA-N -1 3 338.758 2.690 20 30 EFEDHM N#CCN(C(=O)c1cc(-c2nn[n-]n2)ccc1Cl)c1ccccc1 ZINC001609495456 1098360410 /nfs/dbraw/zinc/36/04/10/1098360410.db2.gz OADINQVTDBVOFQ-UHFFFAOYSA-N -1 3 338.758 2.690 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2cccs2)no1 ZINC001609494227 1098360925 /nfs/dbraw/zinc/36/09/25/1098360925.db2.gz ZKKIUDHYBICOJV-GFCCVEGCSA-N -1 3 349.379 2.828 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2cccs2)no1 ZINC001609494227 1098360929 /nfs/dbraw/zinc/36/09/29/1098360929.db2.gz ZKKIUDHYBICOJV-GFCCVEGCSA-N -1 3 349.379 2.828 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC001609496274 1098361504 /nfs/dbraw/zinc/36/15/04/1098361504.db2.gz BNUWJUSWTOJCNC-WCBMZHEXSA-N -1 3 333.193 2.733 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC001609496274 1098361512 /nfs/dbraw/zinc/36/15/12/1098361512.db2.gz BNUWJUSWTOJCNC-WCBMZHEXSA-N -1 3 333.193 2.733 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1[N+](=O)[O-] ZINC001609499164 1098362427 /nfs/dbraw/zinc/36/24/27/1098362427.db2.gz UNPXKSMWUWDWRQ-OAHLLOKOSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1[N+](=O)[O-] ZINC001609499164 1098362433 /nfs/dbraw/zinc/36/24/33/1098362433.db2.gz UNPXKSMWUWDWRQ-OAHLLOKOSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cc2c(nc1N[C@@H]1CCc3cc(-c4nnn[n-]4)ccc31)CCC2 ZINC001609497885 1098362646 /nfs/dbraw/zinc/36/26/46/1098362646.db2.gz OKWPDEIZWAVWKJ-QGZVFWFLSA-N -1 3 343.394 2.721 20 30 EFEDHM N#Cc1cc2c(nc1N[C@@H]1CCc3cc(-c4nn[n-]n4)ccc31)CCC2 ZINC001609497885 1098362654 /nfs/dbraw/zinc/36/26/54/1098362654.db2.gz OKWPDEIZWAVWKJ-QGZVFWFLSA-N -1 3 343.394 2.721 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001609500328 1098363440 /nfs/dbraw/zinc/36/34/40/1098363440.db2.gz RJEJMVKCLVNZKW-FPLPWBNLSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001609500328 1098363445 /nfs/dbraw/zinc/36/34/45/1098363445.db2.gz RJEJMVKCLVNZKW-FPLPWBNLSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001609500327 1098364077 /nfs/dbraw/zinc/36/40/77/1098364077.db2.gz RJEJMVKCLVNZKW-BQYQJAHWSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001609500327 1098364082 /nfs/dbraw/zinc/36/40/82/1098364082.db2.gz RJEJMVKCLVNZKW-BQYQJAHWSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC1CCN(c2ccccc2)CC1 ZINC001609500027 1098364160 /nfs/dbraw/zinc/36/41/60/1098364160.db2.gz VPNFUTMKOJLJLR-UHFFFAOYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC1CCN(c2ccccc2)CC1 ZINC001609500027 1098364167 /nfs/dbraw/zinc/36/41/67/1098364167.db2.gz VPNFUTMKOJLJLR-UHFFFAOYSA-N -1 3 345.410 2.819 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccccc1-c1nnn[n-]1 ZINC001609517816 1098366560 /nfs/dbraw/zinc/36/65/60/1098366560.db2.gz PQJUPIQTNWODJB-FNORWQNLSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccccc1-c1nn[n-]n1 ZINC001609517816 1098366568 /nfs/dbraw/zinc/36/65/68/1098366568.db2.gz PQJUPIQTNWODJB-FNORWQNLSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C1C(=Cc2ccc3c(c2)CCO3)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001609585743 1098392046 /nfs/dbraw/zinc/39/20/46/1098392046.db2.gz CUJKTBZCGXBKMN-OVCLIPMQSA-N -1 3 330.347 2.624 20 30 EFEDHM O=C1C(=Cc2ccc3c(c2)CCO3)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001609585743 1098392050 /nfs/dbraw/zinc/39/20/50/1098392050.db2.gz CUJKTBZCGXBKMN-OVCLIPMQSA-N -1 3 330.347 2.624 20 30 EFEDHM O=C1C(=Cc2cccnc2Cl)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001609586056 1098393434 /nfs/dbraw/zinc/39/34/34/1098393434.db2.gz QLIIZJNGJLDEBC-YFHOEESVSA-N -1 3 338.758 2.523 20 30 EFEDHM O=C1C(=Cc2cccnc2Cl)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001609586056 1098393441 /nfs/dbraw/zinc/39/34/41/1098393441.db2.gz QLIIZJNGJLDEBC-YFHOEESVSA-N -1 3 338.758 2.523 20 30 EFEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001609649838 1098416351 /nfs/dbraw/zinc/41/63/51/1098416351.db2.gz AHXMJAGVHGTPRQ-CQSZACIVSA-N -1 3 331.372 2.789 20 30 EFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc(C)cc1[O-] ZINC001269951918 1098542804 /nfs/dbraw/zinc/54/28/04/1098542804.db2.gz POMVHDPFFCXFBF-HXUWFJFHSA-N -1 3 342.439 2.874 20 30 EFEDHM COC(=O)c1cccc([C@H](N[C@@H](C)c2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001610219906 1098578002 /nfs/dbraw/zinc/57/80/02/1098578002.db2.gz XOVJPKSOJANAKI-SJCJKPOMSA-N -1 3 338.363 2.821 20 30 EFEDHM Cc1sc(C(=O)[O-])cc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC001610589867 1098770230 /nfs/dbraw/zinc/77/02/30/1098770230.db2.gz PJGTVTZUMUKAML-OAHLLOKOSA-N -1 3 330.409 2.792 20 30 EFEDHM N#Cc1ccc(-c2nnc(CN[C@H]3CCCCC[C@H]3C(=O)[O-])o2)cc1 ZINC001610626292 1098791478 /nfs/dbraw/zinc/79/14/78/1098791478.db2.gz PEKMLZGYXHOLOQ-CABCVRRESA-N -1 3 340.383 2.731 20 30 EFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC001610629885 1098793681 /nfs/dbraw/zinc/79/36/81/1098793681.db2.gz GFZMRPCAOQTXQY-GVDBMIGSSA-N -1 3 326.396 2.717 20 30 EFEDHM C[C@H](OC(=O)Nc1ccccc1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001143579597 1099576358 /nfs/dbraw/zinc/57/63/58/1099576358.db2.gz OFPPKUBBCQBZNU-NSHDSACASA-N -1 3 325.324 2.840 20 30 EFEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001627308326 1099981042 /nfs/dbraw/zinc/98/10/42/1099981042.db2.gz ZQODKKOJOOWCBC-HNNXBMFYSA-N -1 3 332.367 2.578 20 30 EFEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001627308326 1099981053 /nfs/dbraw/zinc/98/10/53/1099981053.db2.gz ZQODKKOJOOWCBC-HNNXBMFYSA-N -1 3 332.367 2.578 20 30 EFEDHM CCc1ccc([O-])c(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c1 ZINC001636176404 1100704734 /nfs/dbraw/zinc/70/47/34/1100704734.db2.gz VJNIHDDFGGRQGV-UHFFFAOYSA-N -1 3 347.378 2.846 20 30 EFEDHM Cn1c(C#N)ccc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001641535004 1101144841 /nfs/dbraw/zinc/14/48/41/1101144841.db2.gz REZCFMWHLPQYKM-UHFFFAOYSA-N -1 3 332.323 2.680 20 30 EFEDHM Cc1[nH]nc(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)c1C#N ZINC001641600416 1101149963 /nfs/dbraw/zinc/14/99/63/1101149963.db2.gz GVVADKHCLOOKNA-UHFFFAOYSA-N -1 3 349.350 2.527 20 30 EFEDHM COc1ccccc1OCCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000075536212 1102549431 /nfs/dbraw/zinc/54/94/31/1102549431.db2.gz SOZKBTMYANMNQO-UHFFFAOYSA-N -1 3 330.266 2.889 20 30 EFEDHM COc1ccccc1OCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000075536212 1102549437 /nfs/dbraw/zinc/54/94/37/1102549437.db2.gz SOZKBTMYANMNQO-UHFFFAOYSA-N -1 3 330.266 2.889 20 30 EFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc([O-])c(C)c(F)c1 ZINC001271745472 1102581877 /nfs/dbraw/zinc/58/18/77/1102581877.db2.gz ZWAKVFAZHXIRSW-HZPDHXFCSA-N -1 3 346.402 2.621 20 30 EFEDHM C=CCOCC(COCC=C)Oc1ncc(Br)cc1[O-] ZINC001228957792 1104235380 /nfs/dbraw/zinc/23/53/80/1104235380.db2.gz WHKPXLWWXGFVHM-UHFFFAOYSA-N -1 3 344.205 2.702 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC=C(Cl)Cl ZINC000898311755 1106318051 /nfs/dbraw/zinc/31/80/51/1106318051.db2.gz CNIMFGFDARPWRQ-UHFFFAOYSA-N -1 3 328.199 2.644 20 30 EFEDHM N#Cc1cccnc1NC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001059995254 1106536365 /nfs/dbraw/zinc/53/63/65/1106536365.db2.gz WWRWSUZWCCYODH-CQSZACIVSA-N -1 3 336.395 2.623 20 30 EFEDHM Cc1c(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cnn1C ZINC000904181337 1107675080 /nfs/dbraw/zinc/67/50/80/1107675080.db2.gz UBENVGBPLVINDG-UHFFFAOYSA-N -1 3 328.199 2.996 20 30 EFEDHM O=C(CN1CCSC1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182533 1107675660 /nfs/dbraw/zinc/67/56/60/1107675660.db2.gz HANULQBOVJJNNF-UHFFFAOYSA-N -1 3 335.212 2.880 20 30 EFEDHM O=C([C@@H]1CC(=O)N(C2CC2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182351 1107676039 /nfs/dbraw/zinc/67/60/39/1107676039.db2.gz AYWWQASAHSYFOW-SNVBAGLBSA-N -1 3 343.210 2.722 20 30 EFEDHM CC(=O)N1CCC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000904183067 1107676460 /nfs/dbraw/zinc/67/64/60/1107676460.db2.gz VCOHZWYITZTSTL-GFCCVEGCSA-N -1 3 345.226 2.970 20 30 EFEDHM CC(C)(C)OC(=O)NCCC(=O)N([O-])Cc1ccccc1Cl ZINC000904187338 1107681656 /nfs/dbraw/zinc/68/16/56/1107681656.db2.gz JQNZURGTTMKMCA-UHFFFAOYSA-N -1 3 328.796 2.973 20 30 EFEDHM NC(=O)[C@H]1CCC[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904170705 1107687771 /nfs/dbraw/zinc/68/77/71/1107687771.db2.gz FRGJZMDGKDRSDK-LSDHHAIUSA-N -1 3 326.396 2.849 20 30 EFEDHM Cc1cc(=O)cc(C)n1CCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177318 1107694048 /nfs/dbraw/zinc/69/40/48/1107694048.db2.gz AWGIZIFXQCBHIT-UHFFFAOYSA-N -1 3 332.375 2.802 20 30 EFEDHM CN1C(=O)CCC[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178620 1107695526 /nfs/dbraw/zinc/69/55/26/1107695526.db2.gz PNLYTSYNECXWEI-GFCCVEGCSA-N -1 3 331.199 2.722 20 30 EFEDHM CC[C@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCNC1=O ZINC000904178176 1107696073 /nfs/dbraw/zinc/69/60/73/1107696073.db2.gz ASXWUXHVFHDKDE-AWEZNQCLSA-N -1 3 331.199 2.628 20 30 EFEDHM CCCCN([O-])C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C ZINC000904208877 1107699207 /nfs/dbraw/zinc/69/92/07/1107699207.db2.gz LWRJUMFHCRZCNA-QGZVFWFLSA-N -1 3 345.443 2.869 20 30 EFEDHM CCCCN([O-])C(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000904210627 1107699244 /nfs/dbraw/zinc/69/92/44/1107699244.db2.gz VEHPRKWAXXZNTN-GFCCVEGCSA-N -1 3 334.445 2.926 20 30 EFEDHM CCCCN([O-])C(=O)c1nnn(-c2cccc3cnccc32)c1C ZINC000904210497 1107699535 /nfs/dbraw/zinc/69/95/35/1107699535.db2.gz RTGHYTOYBJNNLU-UHFFFAOYSA-N -1 3 325.372 2.755 20 30 EFEDHM CC(C)CS(=O)(=O)CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904188764 1107701953 /nfs/dbraw/zinc/70/19/53/1107701953.db2.gz NGSPLLPYGAQDQQ-UHFFFAOYSA-N -1 3 333.837 2.519 20 30 EFEDHM COCCOc1cc(C(=O)N([O-])Cc2ccccc2Cl)ccn1 ZINC000904190808 1107703821 /nfs/dbraw/zinc/70/38/21/1107703821.db2.gz QMQQZQOFUNBAIU-UHFFFAOYSA-N -1 3 336.775 2.792 20 30 EFEDHM CN1CCC[C@@H]1c1cc(C(=O)N([O-])Cc2ccccc2Cl)n[nH]1 ZINC000904192370 1107705099 /nfs/dbraw/zinc/70/50/99/1107705099.db2.gz JNCLWCMMPWDXTH-OAHLLOKOSA-N -1 3 334.807 2.861 20 30 EFEDHM CCN1CCC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1=O ZINC000905002321 1108317993 /nfs/dbraw/zinc/31/79/93/1108317993.db2.gz GOLZTUSEQDQEHB-DZZSIBQASA-N -1 3 325.206 2.585 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2ccccc2n1 ZINC000176463368 1108685297 /nfs/dbraw/zinc/68/52/97/1108685297.db2.gz DYXTZYQOYBKCIG-SIFUEBAJSA-N -1 3 342.358 2.991 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060059117 1108778123 /nfs/dbraw/zinc/77/81/23/1108778123.db2.gz PPEDPTIHDQMJNI-HNNXBMFYSA-N -1 3 344.455 2.963 20 30 EFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)[N-]Oc1ccc(F)cc1 ZINC000898572560 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/nfs/dbraw/zinc/09/87/29/267098729.db2.gz MPFWAKKSDOQJBL-QGZVFWFLSA-N -1 3 345.424 2.637 20 30 EFEDHM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(C#N)c1 ZINC000292098074 267110539 /nfs/dbraw/zinc/11/05/39/267110539.db2.gz HPWWNBSVBIJBLT-BXUZGUMPSA-N -1 3 325.334 2.590 20 30 EFEDHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157759544 267148258 /nfs/dbraw/zinc/14/82/58/267148258.db2.gz BJAUHMHKLHPVPN-LLVKDONJSA-N -1 3 339.417 2.960 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000331853734 267186786 /nfs/dbraw/zinc/18/67/86/267186786.db2.gz VQWFDCLMFZSNCP-OHUAYANFSA-N -1 3 348.449 2.851 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(F)(F)F ZINC000288298334 267186793 /nfs/dbraw/zinc/18/67/93/267186793.db2.gz GPMYOWFBXQQPKY-LURJTMIESA-N -1 3 346.252 2.806 20 30 EFEDHM C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189215604 267233920 /nfs/dbraw/zinc/23/39/20/267233920.db2.gz SYIJKGDMHAOIEK-KSSFIOAISA-N -1 3 335.407 2.514 20 30 EFEDHM CCc1c(C)sc([N-]C(=O)c2ncccc2S(C)(=O)=O)c1C#N ZINC000415120642 267242511 /nfs/dbraw/zinc/24/25/11/267242511.db2.gz IZIVQXPHTRATRU-UHFFFAOYSA-N -1 3 349.437 2.541 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C2CC2)C1 ZINC000290850087 267623117 /nfs/dbraw/zinc/62/31/17/267623117.db2.gz JADFFXXYFJCWJM-OAHLLOKOSA-N -1 3 327.428 2.857 20 30 EFEDHM N#Cc1ccc(CC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000178023094 268057106 /nfs/dbraw/zinc/05/71/06/268057106.db2.gz XWYJXGZCBWIDOI-UHFFFAOYSA-N -1 3 345.196 2.885 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)cc1Cl ZINC000281735437 268203699 /nfs/dbraw/zinc/20/36/99/268203699.db2.gz RHEIAULWKBAFGI-VIFPVBQESA-N -1 3 334.775 2.925 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000280664555 268330903 /nfs/dbraw/zinc/33/09/03/268330903.db2.gz BITBDEAPHNHFED-ZFWWWQNUSA-N -1 3 345.399 2.707 20 30 EFEDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C#N)cc2)cc1OC ZINC000277120743 273147154 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CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1(C)C ZINC000361819998 279710943 /nfs/dbraw/zinc/71/09/43/279710943.db2.gz ABOCSFGKDYZXCC-GJZGRUSLSA-N -1 3 340.420 2.568 20 30 EFEDHM CC1(C)CCC[C@@H]1NC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000329293139 281012956 /nfs/dbraw/zinc/01/29/56/281012956.db2.gz RMYGKCFYQJDCJX-NVGCLXPQSA-N -1 3 336.436 2.976 20 30 EFEDHM CC1(C)CCC[C@H]1NC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000329293141 281051749 /nfs/dbraw/zinc/05/17/49/281051749.db2.gz RMYGKCFYQJDCJX-XWCIJXRUSA-N -1 3 336.436 2.976 20 30 EFEDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000122318246 292961195 /nfs/dbraw/zinc/96/11/95/292961195.db2.gz JSJNDYHZFMIVCK-JTQLQIEISA-N -1 3 330.837 2.694 20 30 EFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(OC)ccc1[O-] ZINC000124742227 293001391 /nfs/dbraw/zinc/00/13/91/293001391.db2.gz HIFYHDSRGOORMP-UHFFFAOYSA-N -1 3 340.379 2.561 20 30 EFEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)s1 ZINC000125649880 293013692 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EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(CF)CCC2)c(C(F)(F)F)c1 ZINC000574752738 319891385 /nfs/dbraw/zinc/89/13/85/319891385.db2.gz SEQPMRUPTIVJGP-UHFFFAOYSA-N -1 3 336.310 2.748 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CCCC1 ZINC000578317098 320194670 /nfs/dbraw/zinc/19/46/70/320194670.db2.gz IZZONOWNSYSQNZ-UHFFFAOYSA-N -1 3 341.436 2.787 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC000578569362 320217257 /nfs/dbraw/zinc/21/72/57/320217257.db2.gz CENIHPJJHONFNJ-ZBFHGGJFSA-N -1 3 330.384 2.607 20 30 EFEDHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)o1 ZINC000581405330 324368330 /nfs/dbraw/zinc/36/83/30/324368330.db2.gz SPIMNNPMUGAIOM-HZMBPMFUSA-N -1 3 334.372 2.892 20 30 EFEDHM CCO[C@H](CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000185010947 473300108 /nfs/dbraw/zinc/30/01/08/473300108.db2.gz MHTYIISJKAIUSS-CQSZACIVSA-N -1 3 344.864 2.941 20 30 EFEDHM Cc1ccc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)c1 ZINC000185149481 473343907 /nfs/dbraw/zinc/34/39/07/473343907.db2.gz CAKLLIQKDBLGKH-GOSISDBHSA-N -1 3 344.411 2.864 20 30 EFEDHM Cc1cc(Cl)c(S(=O)(=O)[N-]CCCCC#N)cc1[N+](=O)[O-] ZINC000083990802 473380916 /nfs/dbraw/zinc/38/09/16/473380916.db2.gz GLPDHVKPKCQFIP-UHFFFAOYSA-N -1 3 331.781 2.529 20 30 EFEDHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)nc1 ZINC000619744187 479871806 /nfs/dbraw/zinc/87/18/06/479871806.db2.gz WSKRDLQWWSBOAV-GFCCVEGCSA-N -1 3 347.396 2.522 20 30 EFEDHM Cc1nc(C)c(CCC(=O)NCc2ccc(C#N)c(Cl)c2)c(=O)[n-]1 ZINC000619766092 479878837 /nfs/dbraw/zinc/87/88/37/479878837.db2.gz NITKPWMQPPHUON-UHFFFAOYSA-N -1 3 344.802 2.573 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000352633815 475476780 /nfs/dbraw/zinc/47/67/80/475476780.db2.gz SCWAZYXHEKFIMF-UHFFFAOYSA-N -1 3 336.310 2.708 20 30 EFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC(C)C ZINC000416639434 477247178 /nfs/dbraw/zinc/24/71/78/477247178.db2.gz ARLOMAAYVJOGFW-LLVKDONJSA-N -1 3 330.837 2.551 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(F)c[n-]c1=O ZINC000622049658 479892105 /nfs/dbraw/zinc/89/21/05/479892105.db2.gz MRSNYQOFUWFXFX-UHFFFAOYSA-N -1 3 332.379 2.922 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000616420857 479904175 /nfs/dbraw/zinc/90/41/75/479904175.db2.gz BXQPYSKHIXMIKB-NSHDSACASA-N -1 3 334.372 2.745 20 30 EFEDHM CCN(CCC/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000005111392 471487180 /nfs/dbraw/zinc/48/71/80/471487180.db2.gz VJBHIHQMISVZNZ-DEDYPNTBSA-N -1 3 327.428 2.923 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000005165154 471489484 /nfs/dbraw/zinc/48/94/84/471489484.db2.gz DZLLQTQQFKLIPB-UHFFFAOYSA-N -1 3 335.407 2.923 20 30 EFEDHM Cc1ccc(F)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000007942960 471649646 /nfs/dbraw/zinc/64/96/46/471649646.db2.gz FNDFFEBYCLLQHE-UHFFFAOYSA-N -1 3 327.359 2.882 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000018254874 471974823 /nfs/dbraw/zinc/97/48/23/471974823.db2.gz XPQRTOGCWOYPNI-UHFFFAOYSA-N -1 3 331.322 2.713 20 30 EFEDHM O=C(COc1ccc(F)cc1F)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053526785 472016544 /nfs/dbraw/zinc/01/65/44/472016544.db2.gz GYPLXRSATHSZLB-UHFFFAOYSA-N -1 3 331.282 2.812 20 30 EFEDHM O=C(COc1ccc(F)cc1F)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053526785 472016548 /nfs/dbraw/zinc/01/65/48/472016548.db2.gz GYPLXRSATHSZLB-UHFFFAOYSA-N -1 3 331.282 2.812 20 30 EFEDHM O=C(COc1ccc(F)cc1F)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053526785 472016550 /nfs/dbraw/zinc/01/65/50/472016550.db2.gz GYPLXRSATHSZLB-UHFFFAOYSA-N -1 3 331.282 2.812 20 30 EFEDHM Cc1ccn(-c2ccc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)cc2)n1 ZINC000053527728 472016628 /nfs/dbraw/zinc/01/66/28/472016628.db2.gz LZDLKRLSFBYRPJ-UHFFFAOYSA-N -1 3 345.366 2.997 20 30 EFEDHM Cc1ccn(-c2ccc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)cc2)n1 ZINC000053527728 472016631 /nfs/dbraw/zinc/01/66/31/472016631.db2.gz LZDLKRLSFBYRPJ-UHFFFAOYSA-N -1 3 345.366 2.997 20 30 EFEDHM Cc1ccn(-c2ccc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc2)n1 ZINC000053527728 472016636 /nfs/dbraw/zinc/01/66/36/472016636.db2.gz LZDLKRLSFBYRPJ-UHFFFAOYSA-N -1 3 345.366 2.997 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(OC)c1OC ZINC000041520025 472067864 /nfs/dbraw/zinc/06/78/64/472067864.db2.gz VSYKVLQRBPMGKK-NSHDSACASA-N -1 3 332.381 2.967 20 30 EFEDHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000067917006 472110040 /nfs/dbraw/zinc/11/00/40/472110040.db2.gz JHINIEHOAHCQOL-MRVPVSSYSA-N -1 3 347.341 2.696 20 30 EFEDHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000067917006 472110045 /nfs/dbraw/zinc/11/00/45/472110045.db2.gz JHINIEHOAHCQOL-MRVPVSSYSA-N -1 3 347.341 2.696 20 30 EFEDHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000026542414 472142674 /nfs/dbraw/zinc/14/26/74/472142674.db2.gz VWOPDABFLXVTCC-UHFFFAOYSA-N -1 3 346.408 2.579 20 30 EFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(N2CCOC2=O)cc1 ZINC000075938424 472223491 /nfs/dbraw/zinc/22/34/91/472223491.db2.gz VTLJGFXQNIXQFQ-UHFFFAOYSA-N -1 3 339.311 2.658 20 30 EFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(N2CCOC2=O)cc1 ZINC000075938424 472223495 /nfs/dbraw/zinc/22/34/95/472223495.db2.gz VTLJGFXQNIXQFQ-UHFFFAOYSA-N -1 3 339.311 2.658 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000075938424 472223499 /nfs/dbraw/zinc/22/34/99/472223499.db2.gz VTLJGFXQNIXQFQ-UHFFFAOYSA-N -1 3 339.311 2.658 20 30 EFEDHM COc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc21 ZINC000028835698 472238668 /nfs/dbraw/zinc/23/86/68/472238668.db2.gz TWVBNQVGYRODKM-UHFFFAOYSA-N -1 3 346.324 2.950 20 30 EFEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000029329311 472270038 /nfs/dbraw/zinc/27/00/38/472270038.db2.gz ZTFAGHFIRSZXIX-UHFFFAOYSA-N -1 3 349.387 2.934 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccoc2)c(C(F)(F)F)c1 ZINC000056057511 472276358 /nfs/dbraw/zinc/27/63/58/472276358.db2.gz QRUVCBUEDAXNAB-UHFFFAOYSA-N -1 3 330.287 2.649 20 30 EFEDHM C[C@H](NC(=O)c1ccoc1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000076687360 472385058 /nfs/dbraw/zinc/38/50/58/472385058.db2.gz YLAQTFCYSZOZEJ-VIFPVBQESA-N -1 3 343.318 2.610 20 30 EFEDHM C=C(C)CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000154273326 472408395 /nfs/dbraw/zinc/40/83/95/472408395.db2.gz MNKBARRNPMVMEY-GOSISDBHSA-N -1 3 338.407 2.946 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(N3CCCC3)cc2)c1[O-] ZINC000032069742 472411720 /nfs/dbraw/zinc/41/17/20/472411720.db2.gz UKVVSSGPRWVAOH-UDWIEESQSA-N -1 3 325.412 2.807 20 30 EFEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccc(F)c1 ZINC000045515512 472417097 /nfs/dbraw/zinc/41/70/97/472417097.db2.gz YIETXTNOSUKUBI-UHFFFAOYSA-N -1 3 341.386 2.988 20 30 EFEDHM C=CC[C@@H](C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000116851541 472443668 /nfs/dbraw/zinc/44/36/68/472443668.db2.gz SOMOEHNGBKAYLC-SECBINFHSA-N -1 3 335.201 2.985 20 30 EFEDHM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1nnc2n1CCCCC2 ZINC000117084166 472453723 /nfs/dbraw/zinc/45/37/23/472453723.db2.gz IWGBTVCVFBMRKL-MRXNPFEDSA-N -1 3 346.394 2.680 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C(C)C)C1CCCC1 ZINC000057750078 472471138 /nfs/dbraw/zinc/47/11/38/472471138.db2.gz DRIQKENBPWPCKA-UHFFFAOYSA-N -1 3 329.444 2.976 20 30 EFEDHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccco1 ZINC000101576989 472541917 /nfs/dbraw/zinc/54/19/17/472541917.db2.gz SIZJYZZJTZGVFH-MRXNPFEDSA-N -1 3 348.424 2.843 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CC(c2ccccc2)=NO1 ZINC000058407209 472565895 /nfs/dbraw/zinc/56/58/95/472565895.db2.gz IOZODTNLMXBOAG-CQSZACIVSA-N -1 3 334.339 2.648 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CC(c2ccccc2)=NO1 ZINC000058407209 472565898 /nfs/dbraw/zinc/56/58/98/472565898.db2.gz IOZODTNLMXBOAG-CQSZACIVSA-N -1 3 334.339 2.648 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CC(c2ccccc2)=NO1 ZINC000058407209 472565899 /nfs/dbraw/zinc/56/58/99/472565899.db2.gz IOZODTNLMXBOAG-CQSZACIVSA-N -1 3 334.339 2.648 20 30 EFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000130461222 472608020 /nfs/dbraw/zinc/60/80/20/472608020.db2.gz BEMPLHCPVUHFJD-XHDPSFHLSA-N -1 3 337.401 2.654 20 30 EFEDHM N#Cc1cccc(Cl)c1NCC[N-]S(=O)(=O)c1cccs1 ZINC000120027849 472618950 /nfs/dbraw/zinc/61/89/50/472618950.db2.gz ZFDWDJVPLNOZJK-UHFFFAOYSA-N -1 3 341.845 2.664 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(-n2cccn2)n1 ZINC000130941313 472638346 /nfs/dbraw/zinc/63/83/46/472638346.db2.gz XFJXLNUHHBRLPU-CYBMUJFWSA-N -1 3 342.362 2.644 20 30 EFEDHM COc1ccccc1-c1nn(C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000077940936 472643463 /nfs/dbraw/zinc/64/34/63/472643463.db2.gz KKOPQACYUUBAFL-CQSZACIVSA-N -1 3 332.363 2.981 20 30 EFEDHM Cc1ccnn1-c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000047343031 472692426 /nfs/dbraw/zinc/69/24/26/472692426.db2.gz VJPXFEMZKMDDCZ-UHFFFAOYSA-N -1 3 345.366 2.997 20 30 EFEDHM Cc1ccnn1-c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000047343031 472692428 /nfs/dbraw/zinc/69/24/28/472692428.db2.gz VJPXFEMZKMDDCZ-UHFFFAOYSA-N -1 3 345.366 2.997 20 30 EFEDHM Cc1ccnn1-c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000047343031 472692436 /nfs/dbraw/zinc/69/24/36/472692436.db2.gz VJPXFEMZKMDDCZ-UHFFFAOYSA-N -1 3 345.366 2.997 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000047343286 472692531 /nfs/dbraw/zinc/69/25/31/472692531.db2.gz FLTDIBRZHABSJL-UHFFFAOYSA-N -1 3 348.366 2.852 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(NC(=O)C2CC2)cc1 ZINC000047343286 472692536 /nfs/dbraw/zinc/69/25/36/472692536.db2.gz FLTDIBRZHABSJL-UHFFFAOYSA-N -1 3 348.366 2.852 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(NC(=O)C2CC2)cc1 ZINC000047343286 472692543 /nfs/dbraw/zinc/69/25/43/472692543.db2.gz FLTDIBRZHABSJL-UHFFFAOYSA-N -1 3 348.366 2.852 20 30 EFEDHM CCc1cccc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1[O-] ZINC000131945758 472704360 /nfs/dbraw/zinc/70/43/60/472704360.db2.gz HZCYLXDVOAASBF-IBGZPJMESA-N -1 3 349.434 2.977 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000078399308 472709986 /nfs/dbraw/zinc/70/99/86/472709986.db2.gz WQHJZNUCDSWVCK-YJBOKZPZSA-N -1 3 341.455 2.977 20 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/nfs/dbraw/zinc/74/53/70/472745370.db2.gz YJINLHYMCRXLOI-UHFFFAOYSA-N -1 3 337.401 2.571 20 30 EFEDHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])[C@H](C)N1CCOCC1 ZINC000105356430 472747642 /nfs/dbraw/zinc/74/76/42/472747642.db2.gz RPNIGKWEQZMGEM-VGZAMENASA-N -1 3 341.249 2.683 20 30 EFEDHM C[C@H]([C@H](C)/N=C/c1cc(Br)ccc1[O-])N1CCOCC1 ZINC000105356423 472748004 /nfs/dbraw/zinc/74/80/04/472748004.db2.gz RPNIGKWEQZMGEM-VUUKMUNDSA-N -1 3 341.249 2.683 20 30 EFEDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1ccccc1C#N ZINC000156782304 472752107 /nfs/dbraw/zinc/75/21/07/472752107.db2.gz PCLYUXWVPZDROX-UHFFFAOYSA-N -1 3 345.424 2.611 20 30 EFEDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000072993239 472755769 /nfs/dbraw/zinc/75/57/69/472755769.db2.gz ZXARCQLUHCTRRK-SECBINFHSA-N -1 3 339.804 2.856 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000156834297 472758095 /nfs/dbraw/zinc/75/80/95/472758095.db2.gz OKGYVSXEWVHBSO-LSDHHAIUSA-N -1 3 334.347 2.671 20 30 EFEDHM CCOCCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000156852603 472760652 /nfs/dbraw/zinc/76/06/52/472760652.db2.gz NUDBJOJUCIDICF-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM C=C(C)COCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000133065649 472772045 /nfs/dbraw/zinc/77/20/45/472772045.db2.gz OBPYKLQAPSYCFS-UHFFFAOYSA-N -1 3 341.326 2.716 20 30 EFEDHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000121017490 472783802 /nfs/dbraw/zinc/78/38/02/472783802.db2.gz GMYFHEGVEKHACJ-NEPJUHHUSA-N -1 3 337.401 2.714 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000157263715 472802494 /nfs/dbraw/zinc/80/24/94/472802494.db2.gz PBIGITKSMSCLFE-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)ccc2O1 ZINC000106007807 472815180 /nfs/dbraw/zinc/81/51/80/472815180.db2.gz OEQDFVFXZXHVIM-SNVBAGLBSA-N -1 3 332.356 2.822 20 30 EFEDHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)C(C)C ZINC000157608648 472839005 /nfs/dbraw/zinc/83/90/05/472839005.db2.gz 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472895346 /nfs/dbraw/zinc/89/53/46/472895346.db2.gz DHAIODPLADCOBJ-UHFFFAOYSA-N -1 3 340.318 2.601 20 30 EFEDHM CC(=O)Nc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)ccc1F ZINC000065060861 472895351 /nfs/dbraw/zinc/89/53/51/472895351.db2.gz DHAIODPLADCOBJ-UHFFFAOYSA-N -1 3 340.318 2.601 20 30 EFEDHM N#CC(=C([O-])c1ccc(C(F)(F)F)nc1)c1nnc2n1CCCCC2 ZINC000073972989 472912696 /nfs/dbraw/zinc/91/26/96/472912696.db2.gz SICBSNWPUJGKSB-LLVKDONJSA-N -1 3 349.316 2.908 20 30 EFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000073972900 472913505 /nfs/dbraw/zinc/91/35/05/472913505.db2.gz ZKELTNMRVUAAQM-UHFFFAOYSA-N -1 3 337.339 2.828 20 30 EFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(N2CCCC2=O)cc1 ZINC000073972900 472913509 /nfs/dbraw/zinc/91/35/09/472913509.db2.gz ZKELTNMRVUAAQM-UHFFFAOYSA-N -1 3 337.339 2.828 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000073972900 472913512 /nfs/dbraw/zinc/91/35/12/472913512.db2.gz ZKELTNMRVUAAQM-UHFFFAOYSA-N -1 3 337.339 2.828 20 30 EFEDHM C=CC[C@@H](C)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000080098413 472975533 /nfs/dbraw/zinc/97/55/33/472975533.db2.gz PGTZEUJHCFTOFV-LLVKDONJSA-N -1 3 345.424 2.724 20 30 EFEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc2c1OCCO2 ZINC000122331614 473001585 /nfs/dbraw/zinc/00/15/85/473001585.db2.gz DCQSNVWMVCCLAJ-LLVKDONJSA-N -1 3 330.365 2.721 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CCc2ccccc2)no1 ZINC000074457220 473011625 /nfs/dbraw/zinc/01/16/25/473011625.db2.gz XRTGXEJLUDEHHT-UHFFFAOYSA-N -1 3 348.406 2.817 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1ccco1 ZINC000074520349 473022854 /nfs/dbraw/zinc/02/28/54/473022854.db2.gz HNKDFWLBMNRGCZ-ZDUSSCGKSA-N -1 3 327.384 2.609 20 30 EFEDHM Cc1ccc(C(=O)NCCC(=O)N(CCC#N)CC(C)(C)C)c([O-])c1 ZINC000122570133 473032243 /nfs/dbraw/zinc/03/22/43/473032243.db2.gz RAPAWLRCKVQFDA-UHFFFAOYSA-N -1 3 345.443 2.609 20 30 EFEDHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c([O-])c1 ZINC000074673929 473045316 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Cc1cccc(F)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000179887288 473749377 /nfs/dbraw/zinc/74/93/77/473749377.db2.gz RGKZFZQPMOJCME-UHFFFAOYSA-N -1 3 327.359 2.882 20 30 EFEDHM C=CC[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000186822359 473763568 /nfs/dbraw/zinc/76/35/68/473763568.db2.gz RXNDQOCHELYZDD-SFHVURJKSA-N -1 3 338.407 2.598 20 30 EFEDHM C=CCCS(=O)(=O)[N-]N=c1[nH]cc(C(F)(F)F)cc1Cl ZINC000269293746 473765314 /nfs/dbraw/zinc/76/53/14/473765314.db2.gz MLFJNHFAVUHEKA-UHFFFAOYSA-N -1 3 329.731 2.576 20 30 EFEDHM C=CCCS(=O)(=O)NN=c1[n-]cc(C(F)(F)F)cc1Cl ZINC000269293746 473765318 /nfs/dbraw/zinc/76/53/18/473765318.db2.gz MLFJNHFAVUHEKA-UHFFFAOYSA-N -1 3 329.731 2.576 20 30 EFEDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(C#N)ccc2C)o1 ZINC000173355765 473814494 /nfs/dbraw/zinc/81/44/94/473814494.db2.gz KGRNUNXGAFLFDT-HNNXBMFYSA-N -1 3 348.424 2.688 20 30 EFEDHM CC[C@](C)([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(C)cs1 ZINC000173373492 473819200 /nfs/dbraw/zinc/81/92/00/473819200.db2.gz 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C=CCC[C@H](C(=O)Nc1n[n-]c(SCCO)n1)c1ccccc1 ZINC000188428519 474092314 /nfs/dbraw/zinc/09/23/14/474092314.db2.gz OTJUIDXWLKTEOZ-ZDUSSCGKSA-N -1 3 332.429 2.578 20 30 EFEDHM COc1ccc(OC)c(CCC/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000270400396 474104574 /nfs/dbraw/zinc/10/45/74/474104574.db2.gz FEXAREZHIVWMRD-RGVLZGJSSA-N -1 3 344.411 2.657 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000289035256 474126562 /nfs/dbraw/zinc/12/65/62/474126562.db2.gz QGRYKHXHBCWIHS-ZIAGYGMSSA-N -1 3 349.412 2.557 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N/CCN1CCSCC1 ZINC000264881369 474160300 /nfs/dbraw/zinc/16/03/00/474160300.db2.gz YDOIOTZPWVBMDW-XNTDXEJSSA-N -1 3 329.263 2.622 20 30 EFEDHM CCOc1cc(C/N=C/c2c([O-])c(C)ncc2CO)ccc1OC ZINC000265100755 474167106 /nfs/dbraw/zinc/16/71/06/474167106.db2.gz SERUUYMXWGHBTK-VXLYETTFSA-N -1 3 330.384 2.614 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](c2c(F)cccc2F)N(C)C)c1[O-] ZINC000265116017 474168085 /nfs/dbraw/zinc/16/80/85/474168085.db2.gz 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474247024 /nfs/dbraw/zinc/24/70/24/474247024.db2.gz CLJDLPWZVGMIPE-AWEZNQCLSA-N -1 3 342.336 2.568 20 30 EFEDHM C=CCCCCCN(C)C(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000265812870 474346002 /nfs/dbraw/zinc/34/60/02/474346002.db2.gz MIFTYWDLBQXFOJ-UHFFFAOYSA-N -1 3 344.502 2.621 20 30 EFEDHM N#Cc1cc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1F ZINC000289617255 474348591 /nfs/dbraw/zinc/34/85/91/474348591.db2.gz YSVKZLQAOMPYLX-LBPRGKRZSA-N -1 3 343.324 2.588 20 30 EFEDHM CN(CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccccc1 ZINC000183436724 474379770 /nfs/dbraw/zinc/37/97/70/474379770.db2.gz WRLNXWOICUXHQK-UHFFFAOYSA-N -1 3 349.843 2.626 20 30 EFEDHM COc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1F ZINC000189421546 474392223 /nfs/dbraw/zinc/39/22/23/474392223.db2.gz PSLFCJISKVAHGD-UHFFFAOYSA-N -1 3 343.358 2.582 20 30 EFEDHM CCOC(=O)[C@@](C)(C/N=C/c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000276107342 474419231 /nfs/dbraw/zinc/41/92/31/474419231.db2.gz AAVTWTUPTGFGNB-ATASCALFSA-N -1 3 343.379 2.743 20 30 EFEDHM CCc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000276151800 474433248 /nfs/dbraw/zinc/43/32/48/474433248.db2.gz QOXPTRZDSOYAIR-UHFFFAOYSA-N -1 3 349.434 2.784 20 30 EFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cccc3nn[n-]c32)cc1 ZINC000189693149 474465403 /nfs/dbraw/zinc/46/54/03/474465403.db2.gz XMRVKLYMZVORKC-UHFFFAOYSA-N -1 3 336.355 2.518 20 30 EFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cccc3[n-]nnc32)cc1 ZINC000189693149 474465408 /nfs/dbraw/zinc/46/54/08/474465408.db2.gz XMRVKLYMZVORKC-UHFFFAOYSA-N -1 3 336.355 2.518 20 30 EFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000189693149 474465415 /nfs/dbraw/zinc/46/54/15/474465415.db2.gz XMRVKLYMZVORKC-UHFFFAOYSA-N -1 3 336.355 2.518 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1[O-] ZINC000189924447 474506761 /nfs/dbraw/zinc/50/67/61/474506761.db2.gz QTZMWRIUSYFOCZ-GOSISDBHSA-N -1 3 335.407 2.831 20 30 EFEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000184528070 474539213 /nfs/dbraw/zinc/53/92/13/474539213.db2.gz 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EFEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cccc(C#N)c1F ZINC000340855552 474720479 /nfs/dbraw/zinc/72/04/79/474720479.db2.gz NRZCHGRVXFVKFO-UHFFFAOYSA-N -1 3 333.344 2.580 20 30 EFEDHM Cc1cccc2oc(CC[N-]S(=O)(=O)c3ccc(C#N)s3)nc21 ZINC000337138587 474731287 /nfs/dbraw/zinc/73/12/87/474731287.db2.gz QWLNHKLMVZKRSB-UHFFFAOYSA-N -1 3 347.421 2.590 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1)OCC ZINC000344444223 474747391 /nfs/dbraw/zinc/74/73/91/474747391.db2.gz DULRYSRKYWMZIJ-ZDUSSCGKSA-N -1 3 331.372 2.659 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)OCC ZINC000344444223 474747395 /nfs/dbraw/zinc/74/73/95/474747395.db2.gz DULRYSRKYWMZIJ-ZDUSSCGKSA-N -1 3 331.372 2.659 20 30 EFEDHM COC(=O)c1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c[nH]1 ZINC000344603205 474770346 /nfs/dbraw/zinc/77/03/46/474770346.db2.gz JBIKXDOZPBHKFW-JTQLQIEISA-N -1 3 337.257 2.705 20 30 EFEDHM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000344634762 474772749 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C=CCCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000293233682 474880878 /nfs/dbraw/zinc/88/08/78/474880878.db2.gz FYQABHWEJTVCTG-NSHDSACASA-N -1 3 339.392 2.822 20 30 EFEDHM CC(C)(O)c1nnc([N-]Cc2cccn2Cc2ccccc2C#N)o1 ZINC000278884732 474892936 /nfs/dbraw/zinc/89/29/36/474892936.db2.gz HGRJMWQAWAFBAF-UHFFFAOYSA-N -1 3 337.383 2.631 20 30 EFEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000341044224 474908755 /nfs/dbraw/zinc/90/87/55/474908755.db2.gz PSWJWMBVNXZNCB-UHFFFAOYSA-N -1 3 348.811 2.514 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c(F)c1 ZINC000341075513 474946426 /nfs/dbraw/zinc/94/64/26/474946426.db2.gz HLFBDMFOXWCOPY-UHFFFAOYSA-N -1 3 346.383 2.674 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(C#N)c3)CC2)c(F)c1 ZINC000341102360 474975089 /nfs/dbraw/zinc/97/50/89/474975089.db2.gz FPXZESTTWKFTMI-UHFFFAOYSA-N -1 3 330.384 2.973 20 30 EFEDHM C#CCSCC[N-]S(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000280039861 475006166 /nfs/dbraw/zinc/00/61/66/475006166.db2.gz 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EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000341978634 475469027 /nfs/dbraw/zinc/46/90/27/475469027.db2.gz NUDQBRVEDWJGQX-LLVKDONJSA-N -1 3 348.811 2.666 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)c1 ZINC000341981215 475472491 /nfs/dbraw/zinc/47/24/91/475472491.db2.gz SEWAENQQNSYETF-GFCCVEGCSA-N -1 3 348.811 2.666 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccncc1F ZINC000337984326 475483518 /nfs/dbraw/zinc/48/35/18/475483518.db2.gz ORXOXXPPGJTXBA-VIFPVBQESA-N -1 3 339.779 2.785 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccncc1F ZINC000337985050 475483567 /nfs/dbraw/zinc/48/35/67/475483567.db2.gz JDJKQMMFPFIQKQ-VIFPVBQESA-N -1 3 339.779 2.785 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccncc1F ZINC000337984325 475483777 /nfs/dbraw/zinc/48/37/77/475483777.db2.gz ORXOXXPPGJTXBA-SECBINFHSA-N -1 3 339.779 2.785 20 30 EFEDHM CS(=O)(=O)[N-]c1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1F ZINC000338012391 475506529 /nfs/dbraw/zinc/50/65/29/475506529.db2.gz ADRXIKSYIAXYRA-UHFFFAOYSA-N -1 3 347.371 2.516 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-c4nc[nH]n4)cc3)nc1-2 ZINC000342332576 475584965 /nfs/dbraw/zinc/58/49/65/475584965.db2.gz JQYGYGKZSOURBV-ZDUSSCGKSA-N -1 3 343.350 2.542 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc3nnc(C(C)(C)C)n3c2)nc(C)n1 ZINC000346371301 475588460 /nfs/dbraw/zinc/58/84/60/475588460.db2.gz LNAAGFSPFAUKJQ-AWEZNQCLSA-N -1 3 348.410 2.924 20 30 EFEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000342657511 475623853 /nfs/dbraw/zinc/62/38/53/475623853.db2.gz LVPRWUMNHNFLSK-GFCCVEGCSA-N -1 3 337.228 2.590 20 30 EFEDHM COCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000338156645 475637076 /nfs/dbraw/zinc/63/70/76/475637076.db2.gz YMHXAYOEZLGKRE-MRXNPFEDSA-N -1 3 347.459 2.776 20 30 EFEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C#N)cc1Cl ZINC000297177274 475642182 /nfs/dbraw/zinc/64/21/82/475642182.db2.gz SLEVVEWSDZEIJU-UHFFFAOYSA-N -1 3 325.752 2.606 20 30 EFEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C#N)cc1Cl ZINC000297177274 475642187 /nfs/dbraw/zinc/64/21/87/475642187.db2.gz SLEVVEWSDZEIJU-UHFFFAOYSA-N -1 3 325.752 2.606 20 30 EFEDHM N#Cc1cccc(C2(NC(=O)c3c[n-]c4ccccc4c3=O)CC2)c1 ZINC000358425271 475668695 /nfs/dbraw/zinc/66/86/95/475668695.db2.gz JNVOBKVNBYBFLM-UHFFFAOYSA-N -1 3 329.359 2.819 20 30 EFEDHM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1nc[n-]n1 ZINC000358436788 475678945 /nfs/dbraw/zinc/67/89/45/475678945.db2.gz SZMMQGMCVWQIIN-UHFFFAOYSA-N -1 3 333.351 2.816 20 30 EFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3nc[n-]n3)cc2F)c1 ZINC000358457640 475693162 /nfs/dbraw/zinc/69/31/62/475693162.db2.gz ZTXVWVQULWPGAF-UHFFFAOYSA-N -1 3 337.314 2.647 20 30 EFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1 ZINC000353122562 475696786 /nfs/dbraw/zinc/69/67/86/475696786.db2.gz AQNZWWNZWRENSI-ZDUSSCGKSA-N -1 3 329.393 2.635 20 30 EFEDHM CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000340042157 475710324 /nfs/dbraw/zinc/71/03/24/475710324.db2.gz QEORRYFLMZWRGH-UHFFFAOYSA-N -1 3 331.235 2.789 20 30 EFEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2nc3cccnc3s2)n1 ZINC000297599838 475823769 /nfs/dbraw/zinc/82/37/69/475823769.db2.gz FXDSMOXXXOYSRD-UHFFFAOYSA-N -1 3 326.385 2.767 20 30 EFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)C1 ZINC000333150884 475851660 /nfs/dbraw/zinc/85/16/60/475851660.db2.gz KOTWPRRLHNVIFB-XJKCOSOUSA-N -1 3 336.461 2.531 20 30 EFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1csc(=O)[n-]1 ZINC000348930928 475884994 /nfs/dbraw/zinc/88/49/94/475884994.db2.gz IJXSPFJFGPBAEV-UHFFFAOYSA-N -1 3 326.299 2.649 20 30 EFEDHM Cc1nc(-c2ccc(NC(=O)N3CCC(C#N)CC3)cc2)cc(=O)[n-]1 ZINC000340252774 475892016 /nfs/dbraw/zinc/89/20/16/475892016.db2.gz ULKCLRATEZSBDD-UHFFFAOYSA-N -1 3 337.383 2.925 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000349233363 475928771 /nfs/dbraw/zinc/92/87/71/475928771.db2.gz MAPOEOYUKLIQPQ-UHFFFAOYSA-N -1 3 328.300 2.648 20 30 EFEDHM N#C[C@H](NC(=O)c1csc(=O)[n-]1)c1cccc(C(F)(F)F)c1 ZINC000349715253 475988995 /nfs/dbraw/zinc/98/89/95/475988995.db2.gz NXGCWOOCDQPRSN-VIFPVBQESA-N -1 3 327.287 2.862 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(CCCCCC#N)n2)cc1 ZINC000349947366 476022896 /nfs/dbraw/zinc/02/28/96/476022896.db2.gz IDEURIRITYBWEG-UHFFFAOYSA-N -1 3 334.401 2.735 20 30 EFEDHM C[C@@H](Sc1ccccc1C([O-])=C(C#N)c1ccccn1)C(N)=O ZINC000338628549 476065012 /nfs/dbraw/zinc/06/50/12/476065012.db2.gz VFYJARZWCXQEMG-YPMHNXCESA-N -1 3 325.393 2.538 20 30 EFEDHM CC#CCC[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000356600300 476115797 /nfs/dbraw/zinc/11/57/97/476115797.db2.gz XGTCASRXUNVKON-UHFFFAOYSA-N -1 3 326.468 2.872 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(OC(F)F)n(C)n3)nc21 ZINC000343946911 476138065 /nfs/dbraw/zinc/13/80/65/476138065.db2.gz MPIONJKFFRFSPQ-VIFPVBQESA-N -1 3 345.309 2.696 20 30 EFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cc(OC(F)F)n(C)n3)[nH]c21 ZINC000343946911 476138072 /nfs/dbraw/zinc/13/80/72/476138072.db2.gz MPIONJKFFRFSPQ-VIFPVBQESA-N -1 3 345.309 2.696 20 30 EFEDHM N#CC[C@@H](CC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000356864722 476141557 /nfs/dbraw/zinc/14/15/57/476141557.db2.gz OSSABOVMTSSQCN-NSHDSACASA-N -1 3 337.305 2.527 20 30 EFEDHM N#CC[C@@H](CC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000356864722 476141567 /nfs/dbraw/zinc/14/15/67/476141567.db2.gz OSSABOVMTSSQCN-NSHDSACASA-N -1 3 337.305 2.527 20 30 EFEDHM N#CC[C@@H](CC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000356864722 476141575 /nfs/dbraw/zinc/14/15/75/476141575.db2.gz OSSABOVMTSSQCN-NSHDSACASA-N -1 3 337.305 2.527 20 30 EFEDHM CN(C)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000338751421 476157296 /nfs/dbraw/zinc/15/72/96/476157296.db2.gz CCKSVFDHEOCFLO-MRXNPFEDSA-N -1 3 343.814 2.950 20 30 EFEDHM COc1ccc(-c2nc(Sc3ncccc3C#N)n[n-]2)c(OC)c1 ZINC000301564668 476169438 /nfs/dbraw/zinc/16/94/38/476169438.db2.gz VGQAMPKEAGXSMN-UHFFFAOYSA-N -1 3 339.380 2.907 20 30 EFEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347261578 476213453 /nfs/dbraw/zinc/21/34/53/476213453.db2.gz OOTCVULAGREPHS-JTQLQIEISA-N -1 3 345.384 2.975 20 30 EFEDHM N#Cc1cncc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c1 ZINC000357086266 476220511 /nfs/dbraw/zinc/22/05/11/476220511.db2.gz UMUWROBJJSLBDW-UHFFFAOYSA-N -1 3 347.783 2.536 20 30 EFEDHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)n1 ZINC000340724476 476231912 /nfs/dbraw/zinc/23/19/12/476231912.db2.gz NGFFHAIATMTIFB-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc4n[n-]nc4c3)no2)cc1 ZINC000350531916 476234187 /nfs/dbraw/zinc/23/41/87/476234187.db2.gz PFDLTYJYBXQCNB-AWEZNQCLSA-N -1 3 341.334 2.729 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1cc2cccc(F)c2o1 ZINC000353814514 476286667 /nfs/dbraw/zinc/28/66/67/476286667.db2.gz KYNPHBXHECVZNE-SNVBAGLBSA-N -1 3 345.355 2.878 20 30 EFEDHM CC(C)(C)c1cc([N-]C(=O)c2cn([C@@H]3CCOC3)nn2)c(C#N)s1 ZINC000362535948 476299906 /nfs/dbraw/zinc/29/99/06/476299906.db2.gz VPUHVCXNHOJBEG-SNVBAGLBSA-N -1 3 345.428 2.722 20 30 EFEDHM C#CCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000372943130 476364881 /nfs/dbraw/zinc/36/48/81/476364881.db2.gz QTVJWOYJMMBERZ-INIZCTEOSA-N -1 3 334.847 2.930 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(Cc2ccccc2)C1 ZINC000377388546 476378246 /nfs/dbraw/zinc/37/82/46/476378246.db2.gz BNLIUTCKXPJMHQ-UHFFFAOYSA-N -1 3 349.434 2.909 20 30 EFEDHM C=CCOc1ccccc1CNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000354208930 476504730 /nfs/dbraw/zinc/50/47/30/476504730.db2.gz YYABBAXZAWOQPE-UHFFFAOYSA-N -1 3 334.379 2.967 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC ZINC000352088942 476521669 /nfs/dbraw/zinc/52/16/69/476521669.db2.gz FGGWXPODNZFAJG-NSHDSACASA-N -1 3 329.418 2.652 20 30 EFEDHM C=C(C)CN(Cc1ccccc1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000352211390 476554402 /nfs/dbraw/zinc/55/44/02/476554402.db2.gz RNHUILTWHWWQMH-UHFFFAOYSA-N -1 3 338.407 2.727 20 30 EFEDHM N#CC(=C([O-])c1cnc2nccnc2c1)c1ccc(C(F)(F)F)cn1 ZINC000354365872 476614265 /nfs/dbraw/zinc/61/42/65/476614265.db2.gz LJHRDCNBQGMFKV-NSHDSACASA-N -1 3 343.268 2.929 20 30 EFEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000452017716 476776423 /nfs/dbraw/zinc/77/64/23/476776423.db2.gz BFNRBWCRMRTCGW-JTQLQIEISA-N -1 3 338.256 2.907 20 30 EFEDHM C[C@](Cc1ccccc1)([N-]S(=O)(=O)c1cccnc1C#N)C1CC1 ZINC000452099689 476822457 /nfs/dbraw/zinc/82/24/57/476822457.db2.gz HARFYQLGEMFWQV-GOSISDBHSA-N -1 3 341.436 2.643 20 30 EFEDHM COCCn1cc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)nn1 ZINC000415153380 476909793 /nfs/dbraw/zinc/90/97/93/476909793.db2.gz IXPQFTHZEALORR-LBPRGKRZSA-N -1 3 345.428 2.571 20 30 EFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)C(C)(C)O1 ZINC000408314605 476945777 /nfs/dbraw/zinc/94/57/77/476945777.db2.gz BMUQKWJJQSFGEN-ZDUSSCGKSA-N -1 3 328.478 2.726 20 30 EFEDHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(F)c(C#N)c2)no1 ZINC000430977630 476955585 /nfs/dbraw/zinc/95/55/85/476955585.db2.gz LKYNOHDGPASBEH-UHFFFAOYSA-N -1 3 337.376 2.925 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)Cc2n[n-]c(-c3cccs3)n2)c(F)c1 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EFEDHM N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccccc3[O-])C2)c(F)c1 ZINC000375925965 477086602 /nfs/dbraw/zinc/08/66/02/477086602.db2.gz BQVUXKWVLYFGPS-ZDUSSCGKSA-N -1 3 325.343 2.868 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-]CCCCC#N)c(F)cc1Br ZINC000416382878 477153971 /nfs/dbraw/zinc/15/39/71/477153971.db2.gz FMGCKVVZFOKTJF-UHFFFAOYSA-N -1 3 349.225 2.869 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000416460226 477179768 /nfs/dbraw/zinc/17/97/68/477179768.db2.gz WBUKILXILYFENH-SECBINFHSA-N -1 3 349.225 2.867 20 30 EFEDHM C[C@H](C#N)S(=O)(=O)[N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000416480694 477184642 /nfs/dbraw/zinc/18/46/42/477184642.db2.gz SIGQCAUONNOHHN-ABAIWWIYSA-N -1 3 342.848 2.639 20 30 EFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000416531923 477203811 /nfs/dbraw/zinc/20/38/11/477203811.db2.gz PTYVWIQXUJVSAY-UHFFFAOYSA-N -1 3 345.346 2.795 20 30 EFEDHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000416625858 477241507 /nfs/dbraw/zinc/24/15/07/477241507.db2.gz 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ZINC000457985514 477275585 /nfs/dbraw/zinc/27/55/85/477275585.db2.gz NRPGLHFUDFITLM-UHFFFAOYSA-N -1 3 338.411 2.537 20 30 EFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ncccn2)cc1C ZINC000416936327 477377431 /nfs/dbraw/zinc/37/74/31/477377431.db2.gz HUQCJTIXUBFITF-CYBMUJFWSA-N -1 3 332.385 2.621 20 30 EFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000416937118 477378675 /nfs/dbraw/zinc/37/86/75/477378675.db2.gz JAKSAGCIDYVSCT-NSHDSACASA-N -1 3 347.318 2.543 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)s1 ZINC000367183361 477381487 /nfs/dbraw/zinc/38/14/87/477381487.db2.gz CEDSSHBQTBRVSI-ZDUSSCGKSA-N -1 3 334.422 2.812 20 30 EFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Br)cc2c1OCC2 ZINC000417621841 477459636 /nfs/dbraw/zinc/45/96/36/477459636.db2.gz GLFDVZMRNDYVAR-CYBMUJFWSA-N -1 3 340.217 2.893 20 30 EFEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(OC)c(Br)c1 ZINC000417623478 477460138 /nfs/dbraw/zinc/46/01/38/477460138.db2.gz JAFQXDGLBBWIFO-LLVKDONJSA-N -1 3 328.206 2.967 20 30 EFEDHM Cc1cc(CN[C@H](CCC(=O)OC(C)(C)C)C(=O)[O-])ccc1C#N ZINC000417614769 477460743 /nfs/dbraw/zinc/46/07/43/477460743.db2.gz BQIDTTIHKGAAHR-OAHLLOKOSA-N -1 3 332.400 2.531 20 30 EFEDHM C=CCCn1cc(C(=O)[N-]c2cc3c(cc2SC)OCCO3)nn1 ZINC000424641207 477463221 /nfs/dbraw/zinc/46/32/21/477463221.db2.gz OKXRWGSHXBHITD-UHFFFAOYSA-N -1 3 346.412 2.600 20 30 EFEDHM COC(=O)c1cc(C)nc2nc(S[C@@H](C)CCC#N)[n-]c(=O)c21 ZINC000412997623 477467401 /nfs/dbraw/zinc/46/74/01/477467401.db2.gz WZZMXZLQBBVFOV-VIFPVBQESA-N -1 3 332.385 2.610 20 30 EFEDHM C=C[C@@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554390 477513127 /nfs/dbraw/zinc/51/31/27/477513127.db2.gz HDSCQTIWMNKNLN-KDOFPFPSSA-N -1 3 338.407 2.944 20 30 EFEDHM C=CCN(C(=O)c1ccccc1[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000436554107 477513291 /nfs/dbraw/zinc/51/32/91/477513291.db2.gz HQMOFSAHOCUCJM-CQSZACIVSA-N -1 3 349.394 2.757 20 30 EFEDHM CNc1ccc(C#N)cc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000436682417 477558712 /nfs/dbraw/zinc/55/87/12/477558712.db2.gz PWZZOEFYUXRVIJ-UHFFFAOYSA-N -1 3 327.340 2.575 20 30 EFEDHM C=CCCC1(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000436972063 477654652 /nfs/dbraw/zinc/65/46/52/477654652.db2.gz MOFPJCWZUXIJBL-UHFFFAOYSA-N -1 3 342.439 2.859 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000425188472 477664244 /nfs/dbraw/zinc/66/42/44/477664244.db2.gz JJMIXHRSRFVGJC-WCBMZHEXSA-N -1 3 336.310 2.815 20 30 EFEDHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000425190266 477665300 /nfs/dbraw/zinc/66/53/00/477665300.db2.gz QJALKYHOMAQKPU-DTWKUNHWSA-N -1 3 349.239 2.973 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420692281 477765277 /nfs/dbraw/zinc/76/52/77/477765277.db2.gz RUPGHMZVNNFEDU-SECBINFHSA-N -1 3 338.763 2.912 20 30 EFEDHM N#CCc1cc(Cl)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000451059932 477806301 /nfs/dbraw/zinc/80/63/01/477806301.db2.gz XTRYLWOVDNXQDV-CYBMUJFWSA-N -1 3 328.821 2.717 20 30 EFEDHM CC(C)Oc1ccccc1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000557797693 477824994 /nfs/dbraw/zinc/82/49/94/477824994.db2.gz KQNOZGAKPDXZRV-LBPRGKRZSA-N -1 3 334.397 2.978 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1cccnc1C#N)c1cccc(Cl)c1 ZINC000428231883 477847312 /nfs/dbraw/zinc/84/73/12/477847312.db2.gz SIHROXSGRRGROT-UHFFFAOYSA-N -1 3 349.843 2.863 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000428238019 477847838 /nfs/dbraw/zinc/84/78/38/477847838.db2.gz CCZAFFAUCLCPJL-UHFFFAOYSA-N -1 3 335.816 2.518 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000428273064 477856808 /nfs/dbraw/zinc/85/68/08/477856808.db2.gz XXPAVDIIKMQQEY-JKSUJKDBSA-N -1 3 341.436 2.643 20 30 EFEDHM N#Cc1cccc([C@H]2CN(Cc3cc(=O)[n-]c(C4CC4)n3)CCO2)c1 ZINC000459393508 477884036 /nfs/dbraw/zinc/88/40/36/477884036.db2.gz RKBUVKLXBMGEDV-QGZVFWFLSA-N -1 3 336.395 2.505 20 30 EFEDHM C[C@]1(C[N-]S(=O)(=O)c2cccnc2C#N)CCCc2ccccc21 ZINC000428400592 477885727 /nfs/dbraw/zinc/88/57/27/477885727.db2.gz NYTMRCDPMUAABC-GOSISDBHSA-N -1 3 341.436 2.526 20 30 EFEDHM C[C@@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428397148 477886082 /nfs/dbraw/zinc/88/60/82/477886082.db2.gz HBTHINXBPYALEX-SJKOYZFVSA-N -1 3 327.409 2.555 20 30 EFEDHM CCC(CC)c1cc(C[N-]S(=O)(=O)CC2(CC#N)CC2)on1 ZINC000451245680 477900622 /nfs/dbraw/zinc/90/06/22/477900622.db2.gz INZIMCHWXOFQBK-UHFFFAOYSA-N -1 3 325.434 2.691 20 30 EFEDHM C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CCN1Cc1ccccc1 ZINC000494028749 477905667 /nfs/dbraw/zinc/90/56/67/477905667.db2.gz STBCFUWREIAPOP-KDOFPFPSSA-N -1 3 335.407 2.657 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1cncs1 ZINC000439189699 477940342 /nfs/dbraw/zinc/94/03/42/477940342.db2.gz IHUXCFAGBLFYBK-QMMMGPOBSA-N -1 3 327.818 2.708 20 30 EFEDHM Cn1nc(C(F)(F)F)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000516541710 477946627 /nfs/dbraw/zinc/94/66/27/477946627.db2.gz YVQWPPCVIQLITR-SECBINFHSA-N -1 3 347.300 2.816 20 30 EFEDHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC000439251217 477949986 /nfs/dbraw/zinc/94/99/86/477949986.db2.gz VYVJBYLGFZJSSI-UHFFFAOYSA-N -1 3 332.703 2.776 20 30 EFEDHM CC[C@H](CS(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1)OC ZINC000421154920 477984888 /nfs/dbraw/zinc/98/48/88/477984888.db2.gz NFYTWCQGDJFQNV-CQSZACIVSA-N -1 3 326.418 2.512 20 30 EFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000476524368 478019902 /nfs/dbraw/zinc/01/99/02/478019902.db2.gz NEJVLEUKKWXVJN-UHFFFAOYSA-N -1 3 336.638 2.794 20 30 EFEDHM COC(=O)c1cc([N-]C(=O)c2ccc(C#N)s2)cc([N+](=O)[O-])c1 ZINC000487027736 478032069 /nfs/dbraw/zinc/03/20/69/478032069.db2.gz FUQMDSYZBKLFDU-UHFFFAOYSA-N -1 3 331.309 2.567 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000533090944 478034849 /nfs/dbraw/zinc/03/48/49/478034849.db2.gz RAQVMNGHDOJJKA-NSHDSACASA-N -1 3 340.832 2.592 20 30 EFEDHM N#C[C@@H]1N(C(=O)Cc2ccc([O-])c(F)c2)CCC[C@@]12CCCCO2 ZINC000451520141 478062583 /nfs/dbraw/zinc/06/25/83/478062583.db2.gz ATQXPNYXGDVQBW-WMZOPIPTSA-N -1 3 332.375 2.528 20 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QJKFHGNQPVBQPL-UHFFFAOYSA-N -1 3 349.843 2.826 20 30 EFEDHM C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000489636710 478262184 /nfs/dbraw/zinc/26/21/84/478262184.db2.gz YAYAVSYLMPIAHQ-QGZVFWFLSA-N -1 3 347.436 2.940 20 30 EFEDHM COC(=O)c1cc([N-]C(=O)c2cc(C#N)cs2)c(C)c([N+](=O)[O-])c1 ZINC000489738720 478266939 /nfs/dbraw/zinc/26/69/39/478266939.db2.gz CRXUYBRBTLINAD-UHFFFAOYSA-N -1 3 345.336 2.875 20 30 EFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000570264861 478321880 /nfs/dbraw/zinc/32/18/80/478321880.db2.gz TXIDWBYGWJFBTL-SSDOTTSWSA-N -1 3 337.626 2.540 20 30 EFEDHM CCC1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCOCC1 ZINC000490425554 478340035 /nfs/dbraw/zinc/34/00/35/478340035.db2.gz YLXGFOKNQCWRDJ-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000538283163 478352948 /nfs/dbraw/zinc/35/29/48/478352948.db2.gz LMGWWJIPBSHBCO-JTQLQIEISA-N -1 3 333.251 2.867 20 30 EFEDHM N#C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000579849974 478348960 /nfs/dbraw/zinc/34/89/60/478348960.db2.gz JBOZUHNRYMQMTC-ZDUSSCGKSA-N -1 3 328.759 2.708 20 30 EFEDHM Cn1nnc2ccc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cc21 ZINC000521514226 478376403 /nfs/dbraw/zinc/37/64/03/478376403.db2.gz OIWNHGWTTBWYHH-NSHDSACASA-N -1 3 345.284 2.872 20 30 EFEDHM C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000590874706 478379856 /nfs/dbraw/zinc/37/98/56/478379856.db2.gz HFPYGOSDYVDWNI-MRXNPFEDSA-N -1 3 349.434 2.858 20 30 EFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000562923393 478380475 /nfs/dbraw/zinc/38/04/75/478380475.db2.gz GJGBSDNAVLFQPJ-ZETCQYMHSA-N -1 3 337.626 2.540 20 30 EFEDHM C[C@H](CC#N)N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000522152677 478381433 /nfs/dbraw/zinc/38/14/33/478381433.db2.gz ZNQGWBYJBOXVGN-SECBINFHSA-N -1 3 348.200 2.665 20 30 EFEDHM C=CCOc1ccccc1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000581556382 478387435 /nfs/dbraw/zinc/38/74/35/478387435.db2.gz FIKMIGLLWIZDTI-UHFFFAOYSA-N -1 3 325.368 2.554 20 30 EFEDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)o1 ZINC000524149106 478388175 /nfs/dbraw/zinc/38/81/75/478388175.db2.gz AKNUYZLQBQZBJY-MFKMUULPSA-N -1 3 334.372 2.892 20 30 EFEDHM Cc1cnc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000594476767 478403934 /nfs/dbraw/zinc/40/39/34/478403934.db2.gz ZQFVGZQPBHWWHG-UHFFFAOYSA-N -1 3 349.843 2.745 20 30 EFEDHM CSCC1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000570772554 478439193 /nfs/dbraw/zinc/43/91/93/478439193.db2.gz YGRIAUOXOVQNKK-UHFFFAOYSA-N -1 3 342.461 2.897 20 30 EFEDHM COc1cccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1F ZINC000594576750 478445814 /nfs/dbraw/zinc/44/58/14/478445814.db2.gz DGRGZCJAXOZSHA-NHYWBVRUSA-N -1 3 326.393 2.585 20 30 EFEDHM COc1cccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1F ZINC000594579042 478445982 /nfs/dbraw/zinc/44/59/82/478445982.db2.gz YCVZQRBQKSOTSH-GFCCVEGCSA-N -1 3 326.393 2.585 20 30 EFEDHM C#CCN1CCC(C(=O)OCc2ccc([O-])c3nc(C)ccc23)CC1 ZINC000491193292 478467879 /nfs/dbraw/zinc/46/78/79/478467879.db2.gz XPIWJOSIXLBKCW-UHFFFAOYSA-N -1 3 338.407 2.637 20 30 EFEDHM CCC#C[C@@H](C)Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000591126484 478471602 /nfs/dbraw/zinc/47/16/02/478471602.db2.gz WGTXAQVOFOHNEU-SNVBAGLBSA-N -1 3 331.397 2.719 20 30 EFEDHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCO1 ZINC000540739408 478491160 /nfs/dbraw/zinc/49/11/60/478491160.db2.gz YBNWQFRYLHVECD-KBPBESRZSA-N -1 3 340.420 2.569 20 30 EFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594723356 478515028 /nfs/dbraw/zinc/51/50/28/478515028.db2.gz MYHSHSPDDJSEOF-GFCCVEGCSA-N -1 3 349.225 2.556 20 30 EFEDHM COCC[C@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594752283 478530639 /nfs/dbraw/zinc/53/06/39/478530639.db2.gz LCEPSIUFUHWHRG-JTQLQIEISA-N -1 3 338.454 2.785 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@@H](C)O ZINC000594779395 478537932 /nfs/dbraw/zinc/53/79/32/478537932.db2.gz RXBKGVCMPMTTAO-MFKMUULPSA-N -1 3 338.454 2.519 20 30 EFEDHM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594778102 478538976 /nfs/dbraw/zinc/53/89/76/478538976.db2.gz FIFNMVMSRVMFEG-WDEREUQCSA-N -1 3 338.454 2.783 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c(F)c1 ZINC000582222908 478542029 /nfs/dbraw/zinc/54/20/29/478542029.db2.gz YGQPEDGFHUMBII-NSHDSACASA-N -1 3 332.347 2.801 20 30 EFEDHM C=CCCSCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000594815028 478549571 /nfs/dbraw/zinc/54/95/71/478549571.db2.gz JHECLEOZDAAMTO-UHFFFAOYSA-N -1 3 336.460 2.552 20 30 EFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594814879 478549827 /nfs/dbraw/zinc/54/98/27/478549827.db2.gz GBCRQJLFOQLJEY-UHFFFAOYSA-N -1 3 330.862 2.799 20 30 EFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N1CCC[C@H](CC#N)C1)c2=O ZINC000597909779 478569988 /nfs/dbraw/zinc/56/99/88/478569988.db2.gz PAKFYEUDYVPUPS-GFCCVEGCSA-N -1 3 327.359 2.742 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000491515579 478572490 /nfs/dbraw/zinc/57/24/90/478572490.db2.gz OILPCZASPJROAU-UHFFFAOYSA-N -1 3 326.306 2.512 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000491515579 478572495 /nfs/dbraw/zinc/57/24/95/478572495.db2.gz OILPCZASPJROAU-UHFFFAOYSA-N -1 3 326.306 2.512 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000491515579 478572503 /nfs/dbraw/zinc/57/25/03/478572503.db2.gz OILPCZASPJROAU-UHFFFAOYSA-N -1 3 326.306 2.512 20 30 EFEDHM Cc1nnc(-c2ccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)cc2)o1 ZINC000541720484 478582586 /nfs/dbraw/zinc/58/25/86/478582586.db2.gz LRFYDPJVQJRELK-OAHLLOKOSA-N -1 3 333.351 2.942 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2COCc3ccccc32)CCCCC1 ZINC000582409374 478590147 /nfs/dbraw/zinc/59/01/47/478590147.db2.gz ZBTULICEEFLZIG-MRXNPFEDSA-N -1 3 334.441 2.651 20 30 EFEDHM C#CCn1ccc(CN(CC)C(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000491567519 478592919 /nfs/dbraw/zinc/59/29/19/478592919.db2.gz LNXBTVSQRDILOY-UHFFFAOYSA-N -1 3 343.402 2.732 20 30 EFEDHM C#CCN(C)c1cnc(-c2noc(-c3ccc(C)c(C)c3[O-])n2)cn1 ZINC000491654329 478617218 /nfs/dbraw/zinc/61/72/18/478617218.db2.gz PPSWLQPIZWMPDC-UHFFFAOYSA-N -1 3 335.367 2.585 20 30 EFEDHM COCCCn1c(=O)[n-]nc1S[C@@H](C#N)CCc1ccccc1 ZINC000601072662 478641749 /nfs/dbraw/zinc/64/17/49/478641749.db2.gz OQHJYBSKCHXPPP-CQSZACIVSA-N -1 3 332.429 2.637 20 30 EFEDHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000563821763 478641801 /nfs/dbraw/zinc/64/18/01/478641801.db2.gz KKOTUSGOVOVJJG-UHFFFAOYSA-N -1 3 342.436 2.553 20 30 EFEDHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C#N)CCc1ccccc1 ZINC000601074295 478642693 /nfs/dbraw/zinc/64/26/93/478642693.db2.gz OAPAXNMZGXGDBI-ZDUSSCGKSA-N -1 3 343.408 2.894 20 30 EFEDHM N#C[C@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C1CC1 ZINC000601088684 478648422 /nfs/dbraw/zinc/64/84/22/478648422.db2.gz YGZJNWXABNXFJF-AWEZNQCLSA-N -1 3 337.408 2.974 20 30 EFEDHM CCCNC(=S)NN=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000496485484 478662923 /nfs/dbraw/zinc/66/29/23/478662923.db2.gz GTVUBIHLBXAHSW-UHFFFAOYSA-N -1 3 343.478 2.698 20 30 EFEDHM C=C[C@H](C)ON=C([O-])Nc1ncccc1CNC(=O)OC(C)(C)C ZINC000496526620 478667057 /nfs/dbraw/zinc/66/70/57/478667057.db2.gz LWSYTZUKHCALPV-NSHDSACASA-N -1 3 336.392 2.734 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)Nc1ncccc1CNC(=O)OC(C)(C)C ZINC000496526620 478667065 /nfs/dbraw/zinc/66/70/65/478667065.db2.gz LWSYTZUKHCALPV-NSHDSACASA-N -1 3 336.392 2.734 20 30 EFEDHM CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000598195394 478699434 /nfs/dbraw/zinc/69/94/34/478699434.db2.gz MMNCLHFEHGOGTE-IBGZPJMESA-N -1 3 349.434 2.653 20 30 EFEDHM CC(CCCNC(=O)OC(C)(C)C)N=Nc1cn[n-]c(=O)c1Cl ZINC000496880074 478704929 /nfs/dbraw/zinc/70/49/29/478704929.db2.gz CNMACVRKQOVRJR-UHFFFAOYSA-N -1 3 343.815 2.928 20 30 EFEDHM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccccc1[O-] ZINC000496925359 478709843 /nfs/dbraw/zinc/70/98/43/478709843.db2.gz NYHZKUVNUNIQSH-CYBMUJFWSA-N -1 3 333.388 2.918 20 30 EFEDHM CCOC(=O)Nc1ccc(NC(=O)[N-]OCCC2CC2)cc1C#N ZINC000497008715 478718326 /nfs/dbraw/zinc/71/83/26/478718326.db2.gz PRJSLDURYKTRRX-UHFFFAOYSA-N -1 3 332.360 2.980 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2=CCCC2)c(C(F)(F)F)c1 ZINC000595361900 478747032 /nfs/dbraw/zinc/74/70/32/478747032.db2.gz CDDAMYWJQJHWAT-UHFFFAOYSA-N -1 3 330.331 2.966 20 30 EFEDHM CO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)C1CCCC1 ZINC000595365928 478748559 /nfs/dbraw/zinc/74/85/59/478748559.db2.gz PQEQNNZUUPVMOD-HNNXBMFYSA-N -1 3 328.478 2.585 20 30 EFEDHM COc1cccc(C2([N-]S(=O)(=O)c3ccc(C#N)o3)CCC2)c1 ZINC000595375706 478752403 /nfs/dbraw/zinc/75/24/03/478752403.db2.gz UQCAGPTYFKTWJE-UHFFFAOYSA-N -1 3 332.381 2.518 20 30 EFEDHM N#CC1(c2ccccn2)CCN(C(=O)c2cc([O-])ccc2F)CC1 ZINC000564530676 478753845 /nfs/dbraw/zinc/75/38/45/478753845.db2.gz KOLVTOZLYKTQGQ-UHFFFAOYSA-N -1 3 325.343 2.624 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000595399688 478763020 /nfs/dbraw/zinc/76/30/20/478763020.db2.gz PDTVDSYYABHOKH-UHFFFAOYSA-N -1 3 346.380 2.766 20 30 EFEDHM C=CCOc1ccc(/C=C\C(=O)NCc2ncccc2[O-])cc1OC ZINC000492014016 478781570 /nfs/dbraw/zinc/78/15/70/478781570.db2.gz ADOUINGFOSMALF-CLFYSBASSA-N -1 3 340.379 2.690 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC000583240303 478798757 /nfs/dbraw/zinc/79/87/57/478798757.db2.gz HKVSTSPLECBRNQ-UHFFFAOYSA-N -1 3 349.637 2.685 20 30 EFEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)s1 ZINC000601366993 478804748 /nfs/dbraw/zinc/80/47/48/478804748.db2.gz RNVYLSMDVOYTCM-JTQLQIEISA-N -1 3 339.417 2.810 20 30 EFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC000601390230 478816643 /nfs/dbraw/zinc/81/66/43/478816643.db2.gz DGEGKXMJNPFQSP-UHFFFAOYSA-N -1 3 349.387 2.841 20 30 EFEDHM Cc1n[nH]c(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000601439184 478834593 /nfs/dbraw/zinc/83/45/93/478834593.db2.gz NVDGPTWGYFOPSV-JTQLQIEISA-N -1 3 338.820 2.591 20 30 EFEDHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)n1 ZINC000601443568 478835911 /nfs/dbraw/zinc/83/59/11/478835911.db2.gz SJHZRPLVKBENSE-QMMMGPOBSA-N -1 3 327.456 2.678 20 30 EFEDHM CCCOC1(C[N-]S(=O)(=O)CC2(C#N)CCC2)CCCCC1 ZINC000572765585 478914327 /nfs/dbraw/zinc/91/43/27/478914327.db2.gz WMTCPWOWPSONOR-UHFFFAOYSA-N -1 3 328.478 2.729 20 30 EFEDHM C=CCn1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)nn1 ZINC000592572779 478944745 /nfs/dbraw/zinc/94/47/45/478944745.db2.gz QGOMMIVUQRMAKH-SNVBAGLBSA-N -1 3 327.413 2.774 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000598691558 478974380 /nfs/dbraw/zinc/97/43/80/478974380.db2.gz UXVZYDQOKFWOKP-CVEARBPZSA-N -1 3 325.343 2.838 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C2CC2)c1 ZINC000528921070 478986195 /nfs/dbraw/zinc/98/61/95/478986195.db2.gz SANFSUDKMMXAHD-AWEZNQCLSA-N -1 3 338.367 2.578 20 30 EFEDHM Cc1cccc(CN2CC[C@@H](NC(=O)c3cc([O-])cc(C#N)c3)C2)c1 ZINC000601849099 479037662 /nfs/dbraw/zinc/03/76/62/479037662.db2.gz FECVEMGJFAJCNU-GOSISDBHSA-N -1 3 335.407 2.577 20 30 EFEDHM CC(C)(C)c1cc([N-]C(=O)c2ccn3nnnc3c2)c(C#N)s1 ZINC000598825047 479041852 /nfs/dbraw/zinc/04/18/52/479041852.db2.gz GDVHQWIGARAEIO-UHFFFAOYSA-N -1 3 326.385 2.607 20 30 EFEDHM Cc1cc(C)c(C#N)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000598854412 479056473 /nfs/dbraw/zinc/05/64/73/479056473.db2.gz RQHSTSKWDZQUGU-UHFFFAOYSA-N -1 3 349.394 2.731 20 30 EFEDHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000565686147 479062148 /nfs/dbraw/zinc/06/21/48/479062148.db2.gz SPLHCWBFCHVJNL-UHFFFAOYSA-N -1 3 347.415 2.657 20 30 EFEDHM COC(=O)c1cncc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c1 ZINC000546865223 479079622 /nfs/dbraw/zinc/07/96/22/479079622.db2.gz WEEOIUXGMXQMAD-CYBMUJFWSA-N -1 3 334.335 2.543 20 30 EFEDHM COC(=O)c1cncc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000546865223 479079627 /nfs/dbraw/zinc/07/96/27/479079627.db2.gz WEEOIUXGMXQMAD-CYBMUJFWSA-N -1 3 334.335 2.543 20 30 EFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC000601962211 479096568 /nfs/dbraw/zinc/09/65/68/479096568.db2.gz IENHMUIDUVHTDB-AWEZNQCLSA-N -1 3 349.387 2.839 20 30 EFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(CC(=O)OC(C)(C)C)c1 ZINC000567245720 479103906 /nfs/dbraw/zinc/10/39/06/479103906.db2.gz HYOLRCFVTQMROR-CQSZACIVSA-N -1 3 338.429 2.615 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3ccc(F)cc32)CCCCC1 ZINC000547793496 479120450 /nfs/dbraw/zinc/12/04/50/479120450.db2.gz PLTVKFNWTJNEAW-AWEZNQCLSA-N -1 3 338.404 2.653 20 30 EFEDHM CC(=O)c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cc1[O-] ZINC000584417332 479129292 /nfs/dbraw/zinc/12/92/92/479129292.db2.gz AFKTZUUFEQBUSH-IEBWSBKVSA-N -1 3 342.395 2.662 20 30 EFEDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000568915955 479132655 /nfs/dbraw/zinc/13/26/55/479132655.db2.gz WJGNVXKTFKWJDC-XHDPSFHLSA-N -1 3 338.404 2.651 20 30 EFEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549186240 479137780 /nfs/dbraw/zinc/13/77/80/479137780.db2.gz YKZQQBPJUFGEHQ-VIFPVBQESA-N -1 3 331.357 2.964 20 30 EFEDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1cccnc1 ZINC000584507321 479157926 /nfs/dbraw/zinc/15/79/26/479157926.db2.gz LCSMWSQKRWIPFL-OAHLLOKOSA-N -1 3 347.415 2.810 20 30 EFEDHM N#CCc1ccnc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC000554592521 479158584 /nfs/dbraw/zinc/15/85/84/479158584.db2.gz HIKPOIIRMVFYQZ-UHFFFAOYSA-N -1 3 340.289 2.520 20 30 EFEDHM N#CCc1ccnc(NC(=O)c2cnc3c(F)cc(F)cc3c2[O-])c1 ZINC000554592521 479158585 /nfs/dbraw/zinc/15/85/85/479158585.db2.gz HIKPOIIRMVFYQZ-UHFFFAOYSA-N -1 3 340.289 2.520 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000555683647 479165782 /nfs/dbraw/zinc/16/57/82/479165782.db2.gz LOXZWTCZVCKRIF-UHFFFAOYSA-N -1 3 338.738 2.941 20 30 EFEDHM CCN(CCN=c1[n-]c(C#N)c(Cl)s1)CCC(F)(F)F ZINC000596210239 479200897 /nfs/dbraw/zinc/20/08/97/479200897.db2.gz MXRQDHWRWZOSEG-UHFFFAOYSA-N -1 3 326.775 2.776 20 30 EFEDHM Cn1nnc2c1nccc2C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000556802311 479208623 /nfs/dbraw/zinc/20/86/23/479208623.db2.gz HRYQHHDFNPFMIE-UHFFFAOYSA-N -1 3 340.412 2.846 20 30 EFEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCCC#N ZINC000599230321 479214273 /nfs/dbraw/zinc/21/42/73/479214273.db2.gz PYJAEDNXGCDKQL-UHFFFAOYSA-N -1 3 349.225 2.869 20 30 EFEDHM CC(C)(CC#N)CNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603042516 479216595 /nfs/dbraw/zinc/21/65/95/479216595.db2.gz JLCOQXNKYATCII-UHFFFAOYSA-N -1 3 337.733 2.582 20 30 EFEDHM C[C@@]1(C#N)CCCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603045423 479217094 /nfs/dbraw/zinc/21/70/94/479217094.db2.gz SPRYMQSKQRQQAY-LBPRGKRZSA-N -1 3 349.744 2.678 20 30 EFEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000602173896 479217495 /nfs/dbraw/zinc/21/74/95/479217495.db2.gz UWHGBHFYICLHEG-UHFFFAOYSA-N -1 3 330.775 2.681 20 30 EFEDHM CS[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000593229327 479251111 /nfs/dbraw/zinc/25/11/11/479251111.db2.gz CQXSSHFWHADQAD-HZPDHXFCSA-N -1 3 347.484 2.999 20 30 EFEDHM C=CCCSCCNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000596413046 479285819 /nfs/dbraw/zinc/28/58/19/479285819.db2.gz BQNOZLCLNIBUOV-UHFFFAOYSA-N -1 3 330.457 2.950 20 30 EFEDHM N#Cc1ccc(O[C@H]2CCN(Cc3cc([O-])ccc3Cl)C2)nc1 ZINC000599430050 479292772 /nfs/dbraw/zinc/29/27/72/479292772.db2.gz VFORVBZBSUOGRT-HNNXBMFYSA-N -1 3 329.787 2.966 20 30 EFEDHM CC(C)c1ccc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c([O-])c1 ZINC000611280093 479335784 /nfs/dbraw/zinc/33/57/84/479335784.db2.gz NYXCZXVGMVTCTM-KRWDZBQOSA-N -1 3 329.444 2.822 20 30 EFEDHM CC[C@@H](C#N)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000593456550 479348858 /nfs/dbraw/zinc/34/88/58/479348858.db2.gz SKENZCCLJSDNEY-QMMMGPOBSA-N -1 3 349.334 2.565 20 30 EFEDHM COc1nccc2c([N-]S(=O)(=O)CCC(C)(C)C#N)cccc21 ZINC000603416470 479379352 /nfs/dbraw/zinc/37/93/52/479379352.db2.gz GKQVPTKHTLVMBQ-UHFFFAOYSA-N -1 3 333.413 2.925 20 30 EFEDHM Cc1cc(Br)sc1S(=O)(=O)[N-]CCCCC#N ZINC000593542808 479383512 /nfs/dbraw/zinc/38/35/12/479383512.db2.gz JNQRCHCCCJJJGG-UHFFFAOYSA-N -1 3 337.264 2.791 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588096205 479392988 /nfs/dbraw/zinc/39/29/88/479392988.db2.gz UTUBHVYNLHLDIA-MRXNPFEDSA-N -1 3 341.791 3.000 20 30 EFEDHM N#Cc1ccccc1-c1ccccc1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000588876115 479451650 /nfs/dbraw/zinc/45/16/50/479451650.db2.gz TUKSVJYMCMAPFA-UHFFFAOYSA-N -1 3 346.390 2.611 20 30 EFEDHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000588906592 479456991 /nfs/dbraw/zinc/45/69/91/479456991.db2.gz PSHIEFBRYMLMTP-PXAZEXFGSA-N -1 3 328.393 2.553 20 30 EFEDHM CC[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)N1CCc2ccccc2C1 ZINC000589168435 479490148 /nfs/dbraw/zinc/49/01/48/479490148.db2.gz INASUHWYBREUAQ-IBGZPJMESA-N -1 3 349.434 2.831 20 30 EFEDHM COc1nc2ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc2s1 ZINC000575872388 479493121 /nfs/dbraw/zinc/49/31/21/479493121.db2.gz ONIJCOWAFWTODI-UHFFFAOYSA-N -1 3 339.442 2.986 20 30 EFEDHM CC[C@@H](C)N[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccco1 ZINC000589249347 479506327 /nfs/dbraw/zinc/50/63/27/479506327.db2.gz FNGOQOMHAIPIBA-WBMJQRKESA-N -1 3 327.384 2.716 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000604399818 479513833 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SISFRNVOMNRMJN-UHFFFAOYSA-N -1 3 329.385 2.820 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC(CC)CC)ccc1F ZINC000754775801 575487289 /nfs/dbraw/zinc/48/72/89/575487289.db2.gz UHPAVHXOMICPEL-UHFFFAOYSA-N -1 3 329.393 2.635 20 30 EFEDHM COC(=O)[C@H](CC1CCCCC1)/N=C\c1c([O-])c(C)ncc1CO ZINC000754825717 575497386 /nfs/dbraw/zinc/49/73/86/575497386.db2.gz ASIBRVYBZKYCTM-OBLBUWMUSA-N -1 3 334.416 2.519 20 30 EFEDHM C[C@]1(c2ccccc2)NC(=O)N(N=Cc2c([O-])cccc2Cl)C1=O ZINC000755543744 575599436 /nfs/dbraw/zinc/59/94/36/575599436.db2.gz UKIASNAHJOIWPV-QGZVFWFLSA-N -1 3 343.770 2.847 20 30 EFEDHM Cc1[nH]cnc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000755590334 575604672 /nfs/dbraw/zinc/60/46/72/575604672.db2.gz KCPOVCFFGIVVMQ-UHFFFAOYSA-N -1 3 330.442 2.773 20 30 EFEDHM Cc1cccc(C)c1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000755672557 575616609 /nfs/dbraw/zinc/61/66/09/575616609.db2.gz AKPZTDDXPJPMHB-UHFFFAOYSA-N -1 3 347.396 2.665 20 30 EFEDHM O=S(=O)(c1ccc(NN=Cc2cc(F)ccc2[O-])cc1)C(F)F ZINC000755681719 575617984 /nfs/dbraw/zinc/61/79/84/575617984.db2.gz DOYARPRAZLWVRO-UHFFFAOYSA-N -1 3 344.314 2.974 20 30 EFEDHM CN(C)c1ccc(NC(=S)NN=Cc2ccc([O-])c(F)c2)cc1 ZINC000755696401 575619683 /nfs/dbraw/zinc/61/96/83/575619683.db2.gz MYBLQQMCMIYKEX-UHFFFAOYSA-N -1 3 332.404 2.918 20 30 EFEDHM FC(F)(F)c1ccc(N=NCc2n[n-]nc2-c2ccccc2)nn1 ZINC000755815935 575641339 /nfs/dbraw/zinc/64/13/39/575641339.db2.gz LJKSRRAQFYNFAJ-UHFFFAOYSA-N -1 3 333.277 2.727 20 30 EFEDHM Cc1noc(C)c1CCOC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000756163877 575695677 /nfs/dbraw/zinc/69/56/77/575695677.db2.gz NUYOSWRETLYCCM-UHFFFAOYSA-N -1 3 343.383 2.599 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2cc([N+](=O)[O-])ccc2Cl)c1[O-] ZINC000756776545 575786217 /nfs/dbraw/zinc/78/62/17/575786217.db2.gz WRBXCCYMNITQBK-REZTVBANSA-N -1 3 335.747 2.769 20 30 EFEDHM CCCNC(=S)NN=C(C)c1ccc(Br)cc1[O-] ZINC000756823427 575789684 /nfs/dbraw/zinc/78/96/84/575789684.db2.gz JEOFPRHSBCVBDC-UHFFFAOYSA-N -1 3 330.251 2.753 20 30 EFEDHM O=C1[N-]c2c(c(Cl)ccc2F)C1=NNc1ccncc1Cl ZINC000756841885 575791031 /nfs/dbraw/zinc/79/10/31/575791031.db2.gz BOGMTBQFXWSJTL-UHFFFAOYSA-N -1 3 325.130 2.718 20 30 EFEDHM C#CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000756975753 575807191 /nfs/dbraw/zinc/80/71/91/575807191.db2.gz NUIYEQSQCVFWEM-INIZCTEOSA-N -1 3 328.368 2.740 20 30 EFEDHM C[C@@H](c1ccccc1)N(CC(=O)NCCC#N)Cc1ccccc1[O-] ZINC000757276937 575835889 /nfs/dbraw/zinc/83/58/89/575835889.db2.gz PGNQPILTJLEJSV-INIZCTEOSA-N -1 3 337.423 2.985 20 30 EFEDHM O=c1[n-]c(N=NC2CCN(Cc3ccccn3)CC2)nc2ccccc21 ZINC000757582587 575843317 /nfs/dbraw/zinc/84/33/17/575843317.db2.gz CXIFETUONVXSLO-UHFFFAOYSA-N -1 3 348.410 2.794 20 30 EFEDHM O=c1nc(NN=C2CCN(Cc3ccccn3)CC2)[n-]c2ccccc21 ZINC000757582587 575843319 /nfs/dbraw/zinc/84/33/19/575843319.db2.gz CXIFETUONVXSLO-UHFFFAOYSA-N -1 3 348.410 2.794 20 30 EFEDHM CCOC(=O)C1CCC(=NNc2nc(=O)c3ccccc3[n-]2)CC1 ZINC000757584445 575843434 /nfs/dbraw/zinc/84/34/34/575843434.db2.gz VUCSYKIQGOEMGD-UHFFFAOYSA-N -1 3 328.372 2.857 20 30 EFEDHM O=c1[n-]c(N=NC2CCN(CC(F)(F)F)CC2)nc2ccccc12 ZINC000757589775 575843623 /nfs/dbraw/zinc/84/36/23/575843623.db2.gz MTTBYFJEGUKXQY-UHFFFAOYSA-N -1 3 339.321 2.761 20 30 EFEDHM C#CC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 ZINC000757623758 575845891 /nfs/dbraw/zinc/84/58/91/575845891.db2.gz PXRUBBKYACDFOB-QGZVFWFLSA-N -1 3 342.420 2.553 20 30 EFEDHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000758366247 575867864 /nfs/dbraw/zinc/86/78/64/575867864.db2.gz KTIHIKSDCMATAY-GFCCVEGCSA-N -1 3 346.383 2.637 20 30 EFEDHM COc1cc(Cl)cc(C=Nn2cnc3ccccc3c2=O)c1[O-] ZINC000758870263 575879149 /nfs/dbraw/zinc/87/91/49/575879149.db2.gz QMEUNWDBHORXJL-UHFFFAOYSA-N -1 3 329.743 2.646 20 30 EFEDHM COc1cc(Cl)cc(C=NNC(=S)Nc2ccccn2)c1[O-] ZINC000758878912 575879261 /nfs/dbraw/zinc/87/92/61/575879261.db2.gz NMQOUCYEXBAAFJ-UHFFFAOYSA-N -1 3 336.804 2.770 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CSCCc2ccccc21 ZINC000759203180 575886900 /nfs/dbraw/zinc/88/69/00/575886900.db2.gz VNHDXNVFLJPANH-UHFFFAOYSA-N -1 3 346.477 2.800 20 30 EFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1=CCCC1 ZINC000759234654 575887453 /nfs/dbraw/zinc/88/74/53/575887453.db2.gz HRYKNLLPMJGDER-ZDUSSCGKSA-N -1 3 328.368 2.810 20 30 EFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C1=CCCC1 ZINC000759234654 575887454 /nfs/dbraw/zinc/88/74/54/575887454.db2.gz HRYKNLLPMJGDER-ZDUSSCGKSA-N -1 3 328.368 2.810 20 30 EFEDHM C[C@H](OC(=O)c1cccc([N-]S(C)(=O)=O)c1)c1cccc(C#N)c1 ZINC000759306574 575888941 /nfs/dbraw/zinc/88/89/41/575888941.db2.gz QDBKMGYQCPLSLU-LBPRGKRZSA-N -1 3 344.392 2.848 20 30 EFEDHM O=c1nc(C=N[O-])ccn1CCCc1ccc(C(F)(F)F)cc1 ZINC000759767656 575931867 /nfs/dbraw/zinc/93/18/67/575931867.db2.gz VGXVYZPQNZQXPE-UHFFFAOYSA-N -1 3 325.290 2.703 20 30 EFEDHM CC(C)=CC(=O)NCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000760346483 576008671 /nfs/dbraw/zinc/00/86/71/576008671.db2.gz QUROSFPKVMHIEG-INIZCTEOSA-N -1 3 334.379 2.549 20 30 EFEDHM CN(C)c1ccc2c(c1)N(C)C(=O)C2=N[N-]c1ncccc1Cl ZINC000761781048 576211687 /nfs/dbraw/zinc/21/16/87/576211687.db2.gz AACHRIJQNMZLKZ-UHFFFAOYSA-N -1 3 329.791 2.594 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762040447 576247802 /nfs/dbraw/zinc/24/78/02/576247802.db2.gz PSVDSHYTJPTFRX-CVEARBPZSA-N -1 3 335.363 2.547 20 30 EFEDHM COc1cc(C(=O)Nc2cccc(OCC#N)c2)cc(OC)c1[O-] ZINC000762581428 576314797 /nfs/dbraw/zinc/31/47/97/576314797.db2.gz FIYHVZRFDUDIDJ-UHFFFAOYSA-N -1 3 328.324 2.564 20 30 EFEDHM COc1cc(C(=O)Nc2ccc(F)cc2OCC#N)cc(OC)c1[O-] ZINC000762620533 576319022 /nfs/dbraw/zinc/31/90/22/576319022.db2.gz BISWRGMSRPMBAF-UHFFFAOYSA-N -1 3 346.314 2.703 20 30 EFEDHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)CCO1 ZINC000763420260 576376731 /nfs/dbraw/zinc/37/67/31/576376731.db2.gz HCJCRSQFEBNBFR-ABAIWWIYSA-N -1 3 340.420 2.569 20 30 EFEDHM CCOc1cc(C=NNCCOCC(F)(F)F)cc(Cl)c1[O-] ZINC000765592719 577057463 /nfs/dbraw/zinc/05/74/63/577057463.db2.gz GGASQHGFAQVNRQ-UHFFFAOYSA-N -1 3 340.729 2.947 20 30 EFEDHM C=CCc1cc(OCC)cc(CN2CCNC(=O)[C@H]2CCC)c1[O-] ZINC000765700577 577068445 /nfs/dbraw/zinc/06/84/45/577068445.db2.gz GHMGPFUEAKGZBI-QGZVFWFLSA-N -1 3 332.444 2.620 20 30 EFEDHM COc1ccc(C#N)cc1COC(=O)c1ccc2c(C=O)n[n-]c2c1 ZINC000766188469 577119212 /nfs/dbraw/zinc/11/92/12/577119212.db2.gz NWHZXSSUYMALHO-UHFFFAOYSA-N -1 3 335.319 2.613 20 30 EFEDHM COc1ccc(C#N)cc1COC(=O)c1ccc2c(c1)n[n-]c2C=O ZINC000766188469 577119213 /nfs/dbraw/zinc/11/92/13/577119213.db2.gz NWHZXSSUYMALHO-UHFFFAOYSA-N -1 3 335.319 2.613 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nc1Cl ZINC000766839557 577184371 /nfs/dbraw/zinc/18/43/71/577184371.db2.gz AFKGKRHFUYVUAC-NSHDSACASA-N -1 3 329.743 2.705 20 30 EFEDHM N#CCCCOc1cccc(C=NNc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737688860 577233468 /nfs/dbraw/zinc/23/34/68/577233468.db2.gz ZCNXQSREPRCHGW-UHFFFAOYSA-N -1 3 347.382 2.995 20 30 EFEDHM N#CCCCOc1cccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737688860 577233470 /nfs/dbraw/zinc/23/34/70/577233470.db2.gz ZCNXQSREPRCHGW-UHFFFAOYSA-N -1 3 347.382 2.995 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cc(F)c(F)cc1F ZINC000767786519 577234114 /nfs/dbraw/zinc/23/41/14/577234114.db2.gz ADKKQRQEAPYDLD-UHFFFAOYSA-N -1 3 342.342 2.600 20 30 EFEDHM N#CC(C(=O)CCCNC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000739074090 577265234 /nfs/dbraw/zinc/26/52/34/577265234.db2.gz GWUBNNPJHZKQAP-VIFPVBQESA-N -1 3 336.298 2.655 20 30 EFEDHM CCCCCCCC(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000726167328 577354261 /nfs/dbraw/zinc/35/42/61/577354261.db2.gz IDRCJURMDZERET-IBGZPJMESA-N -1 3 345.443 2.718 20 30 EFEDHM CCOc1ccc(/C=N\CC(=O)N2CCc3ccccc3C2)c([O-])c1 ZINC000726429209 577364523 /nfs/dbraw/zinc/36/45/23/577364523.db2.gz LIRIEAIYSNRPOZ-MTJSOVHGSA-N -1 3 338.407 2.795 20 30 EFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccccc1N(C)C ZINC000769586734 577373529 /nfs/dbraw/zinc/37/35/29/577373529.db2.gz RZTMBOBYUIKBNS-UHFFFAOYSA-N -1 3 345.468 2.639 20 30 EFEDHM N#CCn1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000769737148 577381896 /nfs/dbraw/zinc/38/18/96/577381896.db2.gz BFEOSEWKMSSWSH-UHFFFAOYSA-N -1 3 332.363 2.955 20 30 EFEDHM O=C1c2ccccc2C(=O)N1N=Cc1cc([O-])ccc1Br ZINC000769797764 577385731 /nfs/dbraw/zinc/38/57/31/577385731.db2.gz LZRBTXRISINXCY-UHFFFAOYSA-N -1 3 345.152 2.785 20 30 EFEDHM C=CCc1cc(OC)cc(CN2CCO[C@H](COC(C)C)C2)c1[O-] ZINC000769806269 577386687 /nfs/dbraw/zinc/38/66/87/577386687.db2.gz WJDOZKAMOXINBK-SFHVURJKSA-N -1 3 335.444 2.755 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000726796754 577386906 /nfs/dbraw/zinc/38/69/06/577386906.db2.gz AILKSUHXWOWMKP-KRWDZBQOSA-N -1 3 338.363 2.931 20 30 EFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccc(F)cc1)[n-]c2=O ZINC000769807911 577386961 /nfs/dbraw/zinc/38/69/61/577386961.db2.gz XPSXDHZCVNTYHB-UHFFFAOYSA-N -1 3 328.351 2.872 20 30 EFEDHM COc1cccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c1 ZINC000769809754 577387005 /nfs/dbraw/zinc/38/70/05/577387005.db2.gz HNHKIMBBVAVJIF-UHFFFAOYSA-N -1 3 340.387 2.742 20 30 EFEDHM C[C@@H](NC(=S)NN=Cc1cc([O-])ccc1Br)C1CC1 ZINC000769821218 577387874 /nfs/dbraw/zinc/38/78/74/577387874.db2.gz URIQDBIXRSUJAA-MRVPVSSYSA-N -1 3 342.262 2.751 20 30 EFEDHM COc1cc([O-])c(C=NNc2ccc(F)c([N+](=O)[O-])c2)cc1OC ZINC000769831217 577388394 /nfs/dbraw/zinc/38/83/94/577388394.db2.gz WXINJDLKSCMTEA-UHFFFAOYSA-N -1 3 335.291 2.903 20 30 EFEDHM CN(C)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1F ZINC000770099356 577402054 /nfs/dbraw/zinc/40/20/54/577402054.db2.gz MOQWRCQXFMEECW-AWEZNQCLSA-N -1 3 325.343 2.853 20 30 EFEDHM CN(C)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1F ZINC000770112148 577402587 /nfs/dbraw/zinc/40/25/87/577402587.db2.gz ZQPQQCVHHVSTIL-ZDUSSCGKSA-N -1 3 341.390 2.700 20 30 EFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000738363927 577418164 /nfs/dbraw/zinc/41/81/64/577418164.db2.gz OXWVCPSZKNASLB-HZPDHXFCSA-N -1 3 345.443 2.591 20 30 EFEDHM O=C1CN(N=Cc2ccc(SCc3ccccc3)cc2)C(=O)[N-]1 ZINC000771884714 581254728 /nfs/dbraw/zinc/25/47/28/581254728.db2.gz LBCKYUHBFNPAGF-UHFFFAOYSA-N -1 3 325.393 2.865 20 30 EFEDHM Cc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1 ZINC000772250203 581299648 /nfs/dbraw/zinc/29/96/48/581299648.db2.gz ZHPFKTRXUCQMAH-UHFFFAOYSA-N -1 3 325.368 2.655 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c1 ZINC000772395427 581318705 /nfs/dbraw/zinc/31/87/05/581318705.db2.gz AMOPBFMSGDITOI-QMMMGPOBSA-N -1 3 339.631 2.684 20 30 EFEDHM C[C@@H](OC(=O)c1c([O-])cccc1F)C(=O)Nc1ccccc1C#N ZINC000772592367 581344522 /nfs/dbraw/zinc/34/45/22/581344522.db2.gz KCQDSFXHYZYGPL-SNVBAGLBSA-N -1 3 328.299 2.587 20 30 EFEDHM C[C@H](OC(=O)c1c([O-])cccc1F)C(=O)Nc1ccccc1C#N ZINC000772592365 581344524 /nfs/dbraw/zinc/34/45/24/581344524.db2.gz KCQDSFXHYZYGPL-JTQLQIEISA-N -1 3 328.299 2.587 20 30 EFEDHM COc1ccc(NCc2ccc(C#N)cc2F)cc1[N-]S(C)(=O)=O ZINC000772928652 581381651 /nfs/dbraw/zinc/38/16/51/581381651.db2.gz OHYSFDFMXXWBQH-UHFFFAOYSA-N -1 3 349.387 2.690 20 30 EFEDHM COc1c([O-])c(CN=Nc2oc(C(C)C)nc2C#N)ccc1[N+](=O)[O-] ZINC000773052900 581391096 /nfs/dbraw/zinc/39/10/96/581391096.db2.gz ARPWWWKLDDITEB-UHFFFAOYSA-N -1 3 345.315 2.738 20 30 EFEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000773054266 581391391 /nfs/dbraw/zinc/39/13/91/581391391.db2.gz KQRACGQFVSUESB-UHFFFAOYSA-N -1 3 327.409 2.792 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cnoc1C1CC1 ZINC000773481183 581435633 /nfs/dbraw/zinc/43/56/33/581435633.db2.gz HHXDRTNZTVTHTO-UHFFFAOYSA-N -1 3 341.367 2.817 20 30 EFEDHM CCOc1ccc2c(c1)[C@H](/N=C\c1c([O-])c(C)ncc1CO)CCO2 ZINC000773907429 581473200 /nfs/dbraw/zinc/47/32/00/581473200.db2.gz PYUIYARZDCAJNP-HQOKVJKCSA-N -1 3 342.395 2.929 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2nc3cccc(Cl)c3n2C)c1[O-] ZINC000773909065 581473290 /nfs/dbraw/zinc/47/32/90/581473290.db2.gz ZUJCCAADZGRNJQ-GXHLCREISA-N -1 3 344.802 2.747 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000773974164 581476137 /nfs/dbraw/zinc/47/61/37/581476137.db2.gz HEZWBNNJXIBJBR-QGZVFWFLSA-N -1 3 344.374 2.893 20 30 EFEDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)SC ZINC000742339026 581505725 /nfs/dbraw/zinc/50/57/25/581505725.db2.gz DBMCLZFTQZTGLQ-UHFFFAOYSA-N -1 3 330.450 2.897 20 30 EFEDHM N#Cc1ccc(NC(=O)C=Cc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000737716003 598918975 /nfs/dbraw/zinc/91/89/75/598918975.db2.gz JWMCQQHBQUIXPS-DAXSKMNVSA-N -1 3 334.314 2.529 20 30 EFEDHM N#Cc1ccc(NC(=O)C=Cc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000737716003 598918977 /nfs/dbraw/zinc/91/89/77/598918977.db2.gz JWMCQQHBQUIXPS-DAXSKMNVSA-N -1 3 334.314 2.529 20 30 EFEDHM CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000736312560 598919407 /nfs/dbraw/zinc/91/94/07/598919407.db2.gz IIBZGTTUEQMLKM-OAHLLOKOSA-N -1 3 332.367 2.871 20 30 EFEDHM CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000736312560 598919409 /nfs/dbraw/zinc/91/94/09/598919409.db2.gz IIBZGTTUEQMLKM-OAHLLOKOSA-N -1 3 332.367 2.871 20 30 EFEDHM Fc1cccc(Cl)c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822786556 607254749 /nfs/dbraw/zinc/25/47/49/607254749.db2.gz MTTJDKYZQFTBJK-UHFFFAOYSA-N -1 3 330.754 2.783 20 30 EFEDHM Fc1cccc(Cl)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822786556 607254750 /nfs/dbraw/zinc/25/47/50/607254750.db2.gz MTTJDKYZQFTBJK-UHFFFAOYSA-N -1 3 330.754 2.783 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)COC3)cc1-c1nnn[n-]1 ZINC000821787724 599110536 /nfs/dbraw/zinc/11/05/36/599110536.db2.gz YNXPRFYJWDDTHV-QHHAFSJGSA-N -1 3 348.362 2.802 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc3c(c2)COC3)cc1-c1nn[n-]n1 ZINC000821787724 599110538 /nfs/dbraw/zinc/11/05/38/599110538.db2.gz YNXPRFYJWDDTHV-QHHAFSJGSA-N -1 3 348.362 2.802 20 30 EFEDHM N#Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000822825693 599114155 /nfs/dbraw/zinc/11/41/55/599114155.db2.gz LNYQRMRHMQWTMR-OQLLNIDSSA-N -1 3 327.347 2.951 20 30 EFEDHM N#Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000822825693 599114160 /nfs/dbraw/zinc/11/41/60/599114160.db2.gz LNYQRMRHMQWTMR-OQLLNIDSSA-N -1 3 327.347 2.951 20 30 EFEDHM CSc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737192468 599193344 /nfs/dbraw/zinc/19/33/44/599193344.db2.gz JMPVEFCIAQQOLR-UHFFFAOYSA-N -1 3 336.380 2.713 20 30 EFEDHM CSc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737192468 599193346 /nfs/dbraw/zinc/19/33/46/599193346.db2.gz JMPVEFCIAQQOLR-UHFFFAOYSA-N -1 3 336.380 2.713 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)ccc1-c1nnn[n-]1 ZINC000737703253 599198226 /nfs/dbraw/zinc/19/82/26/599198226.db2.gz AXEAGGZUYOJAJN-CVEARBPZSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)ccc1-c1nn[n-]n1 ZINC000737703253 599198227 /nfs/dbraw/zinc/19/82/27/599198227.db2.gz AXEAGGZUYOJAJN-CVEARBPZSA-N -1 3 336.399 2.893 20 30 EFEDHM C=CCOc1ccc(OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819759040 599200962 /nfs/dbraw/zinc/20/09/62/599200962.db2.gz MEPRNZTXQKMZCK-UHFFFAOYSA-N -1 3 336.351 2.580 20 30 EFEDHM C=CCOc1ccc(OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819759040 599200963 /nfs/dbraw/zinc/20/09/63/599200963.db2.gz MEPRNZTXQKMZCK-UHFFFAOYSA-N -1 3 336.351 2.580 20 30 EFEDHM Brc1ccoc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000735374973 599219903 /nfs/dbraw/zinc/21/99/03/599219903.db2.gz HGJFRADHGNLGDN-UHFFFAOYSA-N -1 3 333.149 2.668 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822016102 607268751 /nfs/dbraw/zinc/26/87/51/607268751.db2.gz VFZZAOQPVOTYLA-MDZDMXLPSA-N -1 3 330.351 2.699 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822016102 607268752 /nfs/dbraw/zinc/26/87/52/607268752.db2.gz VFZZAOQPVOTYLA-MDZDMXLPSA-N -1 3 330.351 2.699 20 30 EFEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379759 599243104 /nfs/dbraw/zinc/24/31/04/599243104.db2.gz GKSUJEFCKSPWFP-LLVKDONJSA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379759 599243106 /nfs/dbraw/zinc/24/31/06/599243106.db2.gz GKSUJEFCKSPWFP-LLVKDONJSA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000820374861 599243304 /nfs/dbraw/zinc/24/33/04/599243304.db2.gz RVBHSCHWSAHWHH-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000820374861 599243306 /nfs/dbraw/zinc/24/33/06/599243306.db2.gz RVBHSCHWSAHWHH-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819709495 599251247 /nfs/dbraw/zinc/25/12/47/599251247.db2.gz GYURKDRVTVFIMK-GFCCVEGCSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819709495 599251249 /nfs/dbraw/zinc/25/12/49/599251249.db2.gz GYURKDRVTVFIMK-GFCCVEGCSA-N -1 3 332.367 2.731 20 30 EFEDHM N#CCn1c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc2ccccc21 ZINC000737704488 598278165 /nfs/dbraw/zinc/27/81/65/598278165.db2.gz GPQLQDHKZSVOFD-UHFFFAOYSA-N -1 3 344.334 2.564 20 30 EFEDHM N#CCn1c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC000737704488 598278167 /nfs/dbraw/zinc/27/81/67/598278167.db2.gz GPQLQDHKZSVOFD-UHFFFAOYSA-N -1 3 344.334 2.564 20 30 EFEDHM FC(F)(F)c1cc(NN=Cc2cscn2)ccc1-c1nnn[n-]1 ZINC000737632740 598314866 /nfs/dbraw/zinc/31/48/66/598314866.db2.gz MSUOZGCJVCQOKA-UHFFFAOYSA-N -1 3 339.306 2.788 20 30 EFEDHM FC(F)(F)c1cc(NN=Cc2cscn2)ccc1-c1nn[n-]n1 ZINC000737632740 598314867 /nfs/dbraw/zinc/31/48/67/598314867.db2.gz MSUOZGCJVCQOKA-UHFFFAOYSA-N -1 3 339.306 2.788 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccsc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202824 598377214 /nfs/dbraw/zinc/37/72/14/598377214.db2.gz ORLVOOMJTOMNHL-PLNGDYQASA-N -1 3 325.397 2.880 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccsc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202824 598377216 /nfs/dbraw/zinc/37/72/16/598377216.db2.gz ORLVOOMJTOMNHL-PLNGDYQASA-N -1 3 325.397 2.880 20 30 EFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735388302 598417679 /nfs/dbraw/zinc/41/76/79/598417679.db2.gz XGRPCOQZPWMFJA-ZDUSSCGKSA-N -1 3 348.362 2.797 20 30 EFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735388302 598417680 /nfs/dbraw/zinc/41/76/80/598417680.db2.gz XGRPCOQZPWMFJA-ZDUSSCGKSA-N -1 3 348.362 2.797 20 30 EFEDHM C#CCOc1cccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000735387820 598425521 /nfs/dbraw/zinc/42/55/21/598425521.db2.gz HCTUKISSEHARFG-UHFFFAOYSA-N -1 3 337.295 2.579 20 30 EFEDHM C#CCOc1cccc(Oc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000735387820 598425523 /nfs/dbraw/zinc/42/55/23/598425523.db2.gz HCTUKISSEHARFG-UHFFFAOYSA-N -1 3 337.295 2.579 20 30 EFEDHM C=CCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735432216 598564823 /nfs/dbraw/zinc/56/48/23/598564823.db2.gz ODFFUNUXZDHPQR-UHFFFAOYSA-N -1 3 336.355 2.967 20 30 EFEDHM C=CCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735432216 598564824 /nfs/dbraw/zinc/56/48/24/598564824.db2.gz ODFFUNUXZDHPQR-UHFFFAOYSA-N -1 3 336.355 2.967 20 30 EFEDHM C=CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000735416359 598650893 /nfs/dbraw/zinc/65/08/93/598650893.db2.gz HHQWWOLLCFTALC-UHFFFAOYSA-N -1 3 343.431 2.839 20 30 EFEDHM C=CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000735416359 598650895 /nfs/dbraw/zinc/65/08/95/598650895.db2.gz HHQWWOLLCFTALC-UHFFFAOYSA-N -1 3 343.431 2.839 20 30 EFEDHM Cc1ccc(C=NOCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737330282 598698779 /nfs/dbraw/zinc/69/87/79/598698779.db2.gz QBYBZGUPSNXAFQ-UHFFFAOYSA-N -1 3 337.383 2.995 20 30 EFEDHM CCN(CC#N)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736511723 599564819 /nfs/dbraw/zinc/56/48/19/599564819.db2.gz JVIWPOWXLDHPMA-UHFFFAOYSA-N -1 3 347.382 2.596 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000826251993 607384578 /nfs/dbraw/zinc/38/45/78/607384578.db2.gz JTBVAROPLNXGRU-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000826251993 607384579 /nfs/dbraw/zinc/38/45/79/607384579.db2.gz JTBVAROPLNXGRU-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000826257082 607390354 /nfs/dbraw/zinc/39/03/54/607390354.db2.gz MUUOGCLENGCKHM-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000826257082 607390356 /nfs/dbraw/zinc/39/03/56/607390356.db2.gz MUUOGCLENGCKHM-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)[O-])cc1 ZINC000736890417 599798353 /nfs/dbraw/zinc/79/83/53/599798353.db2.gz APHBDLJVDITYHT-SWLSCSKDSA-N -1 3 345.399 2.895 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CCc1ccc(C#N)cc1 ZINC000826252960 607409296 /nfs/dbraw/zinc/40/92/96/607409296.db2.gz AJXJFRSVERXIDF-UHFFFAOYSA-N -1 3 347.378 2.723 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CCc1ccc(C#N)cc1 ZINC000826252960 607409298 /nfs/dbraw/zinc/40/92/98/607409298.db2.gz AJXJFRSVERXIDF-UHFFFAOYSA-N -1 3 347.378 2.723 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000736095247 599982344 /nfs/dbraw/zinc/98/23/44/599982344.db2.gz NQAQKZKOGRJZAV-UHFFFAOYSA-N -1 3 331.416 2.855 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C1(C#N)CCCCC1 ZINC000826252557 607410883 /nfs/dbraw/zinc/41/08/83/607410883.db2.gz HVRVKCCNPWBUBQ-UHFFFAOYSA-N -1 3 325.372 2.692 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C1(C#N)CCCCC1 ZINC000826252557 607410884 /nfs/dbraw/zinc/41/08/84/607410884.db2.gz HVRVKCCNPWBUBQ-UHFFFAOYSA-N -1 3 325.372 2.692 20 30 EFEDHM N#CCC[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826381217 607428885 /nfs/dbraw/zinc/42/88/85/607428885.db2.gz BWRRBSSNPJPENS-INIZCTEOSA-N -1 3 332.367 2.642 20 30 EFEDHM N#CCC[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381217 607428887 /nfs/dbraw/zinc/42/88/87/607428887.db2.gz BWRRBSSNPJPENS-INIZCTEOSA-N -1 3 332.367 2.642 20 30 EFEDHM N#CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381292 607429468 /nfs/dbraw/zinc/42/94/68/607429468.db2.gz FYKPQGJOXCLXKV-MRXNPFEDSA-N -1 3 332.367 2.642 20 30 EFEDHM N#CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381292 607429470 /nfs/dbraw/zinc/42/94/70/607429470.db2.gz FYKPQGJOXCLXKV-MRXNPFEDSA-N -1 3 332.367 2.642 20 30 EFEDHM C=CCN1CCC(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736106810 600342435 /nfs/dbraw/zinc/34/24/35/600342435.db2.gz MFDBVPYZADZFTN-UHFFFAOYSA-N -1 3 346.431 2.568 20 30 EFEDHM N#Cc1c(F)cccc1N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738425983 600398031 /nfs/dbraw/zinc/39/80/31/600398031.db2.gz QWMNKZZRWZNVIJ-SFHVURJKSA-N -1 3 339.370 2.645 20 30 EFEDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737996531 600562288 /nfs/dbraw/zinc/56/22/88/600562288.db2.gz YRMNIAVXUNINOX-SFHVURJKSA-N -1 3 340.379 2.833 20 30 EFEDHM CN(Cc1ccc2c(c1)OCCO2)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737487129 600562387 /nfs/dbraw/zinc/56/23/87/600562387.db2.gz HWBGIJHUWOFXRG-SFHVURJKSA-N -1 3 338.363 2.587 20 30 EFEDHM Cc1cccc(N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738733126 600563451 /nfs/dbraw/zinc/56/34/51/600563451.db2.gz NZLYUSHJHCAHBB-IBGZPJMESA-N -1 3 335.407 2.815 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736662723 600594058 /nfs/dbraw/zinc/59/40/58/600594058.db2.gz SIOJWVRYZOIQKE-ZBEGNZNMSA-N -1 3 325.324 2.943 20 30 EFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736662720 600594202 /nfs/dbraw/zinc/59/42/02/600594202.db2.gz SIOJWVRYZOIQKE-BDJLRTHQSA-N -1 3 325.324 2.943 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000736663187 600597556 /nfs/dbraw/zinc/59/75/56/600597556.db2.gz WBRPVGSBLFARQP-HXPMCKFVSA-N -1 3 349.390 2.554 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822814563 607457334 /nfs/dbraw/zinc/45/73/34/607457334.db2.gz JJPDYLMMRRZAFJ-VMPITWQZSA-N -1 3 349.325 2.804 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822814563 607457335 /nfs/dbraw/zinc/45/73/35/607457335.db2.gz JJPDYLMMRRZAFJ-VMPITWQZSA-N -1 3 349.325 2.804 20 30 EFEDHM Fc1cc(F)c(NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000822753186 607465611 /nfs/dbraw/zinc/46/56/11/607465611.db2.gz IAAFFZTXENGMRF-UHFFFAOYSA-N -1 3 336.252 2.869 20 30 EFEDHM Fc1cc(F)c(NN=Cc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000822753186 607465612 /nfs/dbraw/zinc/46/56/12/607465612.db2.gz IAAFFZTXENGMRF-UHFFFAOYSA-N -1 3 336.252 2.869 20 30 EFEDHM C[C@](O)(CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(=O)[O-] ZINC000736669901 600763094 /nfs/dbraw/zinc/76/30/94/600763094.db2.gz BRGUYSVJXXILPV-IBGZPJMESA-N -1 3 342.370 2.535 20 30 EFEDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000826054923 601205245 /nfs/dbraw/zinc/20/52/45/601205245.db2.gz SKJVSVFCHXMYSC-ACJLOTCBSA-N -1 3 337.379 2.548 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833039219 601235850 /nfs/dbraw/zinc/23/58/50/601235850.db2.gz ZTBBFDSRNDTVHU-YNEHKIRRSA-N -1 3 325.368 2.641 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000830253866 601236190 /nfs/dbraw/zinc/23/61/90/601236190.db2.gz OSIRVBPVNGPREM-OFQRWUPVSA-N -1 3 342.395 2.787 20 30 EFEDHM Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000832970393 601236580 /nfs/dbraw/zinc/23/65/80/601236580.db2.gz JAYMZHYPFGXKDG-UMVBOHGHSA-N -1 3 328.368 2.533 20 30 EFEDHM CC(C)c1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000820206435 607499161 /nfs/dbraw/zinc/49/91/61/607499161.db2.gz KLHWWWNNYBHQRW-UHFFFAOYSA-N -1 3 339.384 2.571 20 30 EFEDHM CC(C)c1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC000820206435 607499163 /nfs/dbraw/zinc/49/91/63/607499163.db2.gz KLHWWWNNYBHQRW-UHFFFAOYSA-N -1 3 339.384 2.571 20 30 EFEDHM N#Cc1cccc([C@@H](NCc2ccc3c(c2)OCCCO3)C(=O)[O-])c1 ZINC000833074857 601304568 /nfs/dbraw/zinc/30/45/68/601304568.db2.gz FNOCTGGSULSFOM-GOSISDBHSA-N -1 3 338.363 2.635 20 30 EFEDHM O=C(OCC#Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823395999 607505098 /nfs/dbraw/zinc/50/50/98/607505098.db2.gz BWZHVXPMLRBUQS-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM O=C(OCC#Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823395999 607505100 /nfs/dbraw/zinc/50/51/00/607505100.db2.gz BWZHVXPMLRBUQS-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1O ZINC000832311257 601420859 /nfs/dbraw/zinc/42/08/59/601420859.db2.gz XPVTXZLXLGICSO-QGZVFWFLSA-N -1 3 326.352 2.530 20 30 EFEDHM COC[C@](C)(CC(=O)[O-])NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000831573723 601488589 /nfs/dbraw/zinc/48/85/89/601488589.db2.gz UMPLBKPRLNYELN-HNNXBMFYSA-N -1 3 329.318 2.526 20 30 EFEDHM C=CCCCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000825671037 601733868 /nfs/dbraw/zinc/73/38/68/601733868.db2.gz BFXMHHPLMAKXSE-IBGZPJMESA-N -1 3 330.428 2.578 20 30 EFEDHM N#Cc1cc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)ccn1 ZINC000826383640 607542977 /nfs/dbraw/zinc/54/29/77/607542977.db2.gz JRPMJVZUYLCJPM-UHFFFAOYSA-N -1 3 349.423 2.699 20 30 EFEDHM N#Cc1cc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)ccn1 ZINC000826383640 607542979 /nfs/dbraw/zinc/54/29/79/607542979.db2.gz JRPMJVZUYLCJPM-UHFFFAOYSA-N -1 3 349.423 2.699 20 30 EFEDHM CCC(CC)(CC(=O)[O-])NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000828803863 602212214 /nfs/dbraw/zinc/21/22/14/602212214.db2.gz CQYAGUOOEOIIGU-UHFFFAOYSA-N -1 3 328.372 2.731 20 30 EFEDHM C[C@]1(NCc2nnc(-c3cccc(C#N)c3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833568911 605072093 /nfs/dbraw/zinc/07/20/93/605072093.db2.gz IIFRAUIBSVSFBB-KSSFIOAISA-N -1 3 340.383 2.731 20 30 EFEDHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)O1 ZINC000833585953 605335608 /nfs/dbraw/zinc/33/56/08/605335608.db2.gz WAQOGOOAINGSBN-KRWDZBQOSA-N -1 3 342.395 2.549 20 30 EFEDHM C=CCOc1ccc(CN2CC[C@H](OC)C[C@@H]2C(=O)[O-])cc1Cl ZINC000833378054 605487670 /nfs/dbraw/zinc/48/76/70/605487670.db2.gz WXSSUWNGHIJVQG-DZGCQCFKSA-N -1 3 339.819 2.969 20 30 EFEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000833420050 605549153 /nfs/dbraw/zinc/54/91/53/605549153.db2.gz NYILOGWBXWTBSA-CQSZACIVSA-N -1 3 326.400 2.529 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1OC ZINC000821769202 606302034 /nfs/dbraw/zinc/30/20/34/606302034.db2.gz FGQRQXFFRYLIAC-SNAWJCMRSA-N -1 3 342.380 2.842 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1OC ZINC000821769202 606302036 /nfs/dbraw/zinc/30/20/36/606302036.db2.gz FGQRQXFFRYLIAC-SNAWJCMRSA-N -1 3 342.380 2.842 20 30 EFEDHM Cc1sc(NC(=O)c2cc(C#N)cs2)c(-c2nnn[n-]2)c1C ZINC000822563097 606478493 /nfs/dbraw/zinc/47/84/93/606478493.db2.gz DXHXBUUYEYBMHT-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Cc1sc(NC(=O)c2cc(C#N)cs2)c(-c2nn[n-]n2)c1C ZINC000822563097 606478495 /nfs/dbraw/zinc/47/84/95/606478495.db2.gz DXHXBUUYEYBMHT-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM C=CCOc1cccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819758681 606496707 /nfs/dbraw/zinc/49/67/07/606496707.db2.gz FVBKHBRUCBOVOS-UHFFFAOYSA-N -1 3 327.369 2.745 20 30 EFEDHM C=CCOc1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819758681 606496709 /nfs/dbraw/zinc/49/67/09/606496709.db2.gz FVBKHBRUCBOVOS-UHFFFAOYSA-N -1 3 327.369 2.745 20 30 EFEDHM Cc1cc(C#N)ccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822161412 606838297 /nfs/dbraw/zinc/83/82/97/606838297.db2.gz PERCFZQLHIHASS-UHFFFAOYSA-N -1 3 335.367 2.895 20 30 EFEDHM Cc1cc(C#N)ccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822161412 606838298 /nfs/dbraw/zinc/83/82/98/606838298.db2.gz PERCFZQLHIHASS-UHFFFAOYSA-N -1 3 335.367 2.895 20 30 EFEDHM CCc1nnc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C#N)c1CC ZINC000821528749 606920715 /nfs/dbraw/zinc/92/07/15/606920715.db2.gz QURAETWHVVDGPA-NSHDSACASA-N -1 3 348.414 2.826 20 30 EFEDHM CCc1nnc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C#N)c1CC ZINC000821528749 606920717 /nfs/dbraw/zinc/92/07/17/606920717.db2.gz QURAETWHVVDGPA-NSHDSACASA-N -1 3 348.414 2.826 20 30 EFEDHM C#CCSCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819709498 606938359 /nfs/dbraw/zinc/93/83/59/606938359.db2.gz HAOBPLIEZFQNHV-UHFFFAOYSA-N -1 3 327.335 2.664 20 30 EFEDHM C#CCSCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819709498 606938360 /nfs/dbraw/zinc/93/83/60/606938360.db2.gz HAOBPLIEZFQNHV-UHFFFAOYSA-N -1 3 327.335 2.664 20 30 EFEDHM C#CCCCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819692780 606987898 /nfs/dbraw/zinc/98/78/98/606987898.db2.gz KZUGXMJSVHXGAS-UHFFFAOYSA-N -1 3 340.431 2.590 20 30 EFEDHM C#CCCCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819692780 606987899 /nfs/dbraw/zinc/98/78/99/606987899.db2.gz KZUGXMJSVHXGAS-UHFFFAOYSA-N -1 3 340.431 2.590 20 30 EFEDHM CCCCCCCCNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825271394 607854576 /nfs/dbraw/zinc/85/45/76/607854576.db2.gz IWRPDAXVKWOAHL-UHFFFAOYSA-N -1 3 331.420 2.722 20 30 EFEDHM CCCCCCCCNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825271394 607854577 /nfs/dbraw/zinc/85/45/77/607854577.db2.gz IWRPDAXVKWOAHL-UHFFFAOYSA-N -1 3 331.420 2.722 20 30 EFEDHM Fc1ccccc1-c1n[nH]cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826378074 607886218 /nfs/dbraw/zinc/88/62/18/607886218.db2.gz TURBQBXCXHTSSD-UHFFFAOYSA-N -1 3 348.345 2.842 20 30 EFEDHM C(CCCOc1ccccc1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823867776 607888912 /nfs/dbraw/zinc/88/89/12/607888912.db2.gz HODRYUOESOCQOE-UHFFFAOYSA-N -1 3 336.399 2.801 20 30 EFEDHM C(CCCOc1ccccc1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823867776 607888913 /nfs/dbraw/zinc/88/89/13/607888913.db2.gz HODRYUOESOCQOE-UHFFFAOYSA-N -1 3 336.399 2.801 20 30 EFEDHM C(=NNCc1cnc2ccccc2c1)c1ccccc1-c1nnn[n-]1 ZINC000823862146 607888944 /nfs/dbraw/zinc/88/89/44/607888944.db2.gz YOAHSKZJHBBKQC-UHFFFAOYSA-N -1 3 329.367 2.539 20 30 EFEDHM C(=NNCc1cnc2ccccc2c1)c1ccccc1-c1nn[n-]n1 ZINC000823862146 607888945 /nfs/dbraw/zinc/88/89/45/607888945.db2.gz YOAHSKZJHBBKQC-UHFFFAOYSA-N -1 3 329.367 2.539 20 30 EFEDHM C#CCOc1ccc(-c2nc3cc(-c4nnn[n-]4)ccc3n2CC)cc1 ZINC000823856181 607975469 /nfs/dbraw/zinc/97/54/69/607975469.db2.gz LYYMIEYAUHSRMB-UHFFFAOYSA-N -1 3 344.378 2.915 20 30 EFEDHM C#CCOc1ccc(-c2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1 ZINC000823856181 607975470 /nfs/dbraw/zinc/97/54/70/607975470.db2.gz LYYMIEYAUHSRMB-UHFFFAOYSA-N -1 3 344.378 2.915 20 30 EFEDHM CC(N=Nc1ncnc2sccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823962481 608094597 /nfs/dbraw/zinc/09/45/97/608094597.db2.gz KPEIBQSTWYQMBL-UHFFFAOYSA-N -1 3 342.413 2.769 20 30 EFEDHM COc1cc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000826177406 608228920 /nfs/dbraw/zinc/22/89/20/608228920.db2.gz HAZFDAFBULQCDW-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1cc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000826177406 608228922 /nfs/dbraw/zinc/22/89/22/608228922.db2.gz HAZFDAFBULQCDW-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM C#CCCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000823837900 608300644 /nfs/dbraw/zinc/30/06/44/608300644.db2.gz IKZUJGPAEFCNRM-UHFFFAOYSA-N -1 3 325.416 2.797 20 30 EFEDHM C#CCCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823837900 608300646 /nfs/dbraw/zinc/30/06/46/608300646.db2.gz IKZUJGPAEFCNRM-UHFFFAOYSA-N -1 3 325.416 2.797 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC[C@@H](C)SC ZINC000823909384 608300801 /nfs/dbraw/zinc/30/08/01/608300801.db2.gz BADNJDGJBNZPEG-CYBMUJFWSA-N -1 3 345.472 2.913 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC[C@@H](C)SC ZINC000823909384 608300803 /nfs/dbraw/zinc/30/08/03/608300803.db2.gz BADNJDGJBNZPEG-CYBMUJFWSA-N -1 3 345.472 2.913 20 30 EFEDHM COc1c(C)cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000826167214 608342648 /nfs/dbraw/zinc/34/26/48/608342648.db2.gz UJDXZUSIRUBMEI-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1c(C)cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C ZINC000826167214 608342649 /nfs/dbraw/zinc/34/26/49/608342649.db2.gz UJDXZUSIRUBMEI-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM C=CCCO[C@H](C)C(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823898993 608343055 /nfs/dbraw/zinc/34/30/55/608343055.db2.gz HEHQPPWVNLLCRR-LLVKDONJSA-N -1 3 349.822 2.854 20 30 EFEDHM C=CCCO[C@H](C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823898993 608343057 /nfs/dbraw/zinc/34/30/57/608343057.db2.gz HEHQPPWVNLLCRR-LLVKDONJSA-N -1 3 349.822 2.854 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894595 608589837 /nfs/dbraw/zinc/58/98/37/608589837.db2.gz UNTKDRFGIHMGJK-OLZOCXBDSA-N -1 3 328.420 2.972 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894595 608589838 /nfs/dbraw/zinc/58/98/38/608589838.db2.gz UNTKDRFGIHMGJK-OLZOCXBDSA-N -1 3 328.420 2.972 20 30 EFEDHM C=CCC[C@H](C)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823894502 609258403 /nfs/dbraw/zinc/25/84/03/609258403.db2.gz RPTGPXYRUNMLJV-XJKSGUPXSA-N -1 3 341.415 2.733 20 30 EFEDHM CC(=NNCCc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823954105 609276870 /nfs/dbraw/zinc/27/68/70/609276870.db2.gz ZQRSSFPLDZOYFC-UHFFFAOYSA-N -1 3 342.353 2.701 20 30 EFEDHM CC(=NNCCc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823954105 609276872 /nfs/dbraw/zinc/27/68/72/609276872.db2.gz ZQRSSFPLDZOYFC-UHFFFAOYSA-N -1 3 342.353 2.701 20 30 EFEDHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1F ZINC000824613636 609334823 /nfs/dbraw/zinc/33/48/23/609334823.db2.gz WEUVJODFARCZTP-JTQLQIEISA-N -1 3 340.337 2.867 20 30 EFEDHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1F ZINC000824613636 609334826 /nfs/dbraw/zinc/33/48/26/609334826.db2.gz WEUVJODFARCZTP-JTQLQIEISA-N -1 3 340.337 2.867 20 30 EFEDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1F ZINC000824613637 609334879 /nfs/dbraw/zinc/33/48/79/609334879.db2.gz WEUVJODFARCZTP-SNVBAGLBSA-N -1 3 340.337 2.867 20 30 EFEDHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1F ZINC000824613637 609334881 /nfs/dbraw/zinc/33/48/81/609334881.db2.gz WEUVJODFARCZTP-SNVBAGLBSA-N -1 3 340.337 2.867 20 30 EFEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823873253 609380170 /nfs/dbraw/zinc/38/01/70/609380170.db2.gz KJEFKUTVDAECQW-UHFFFAOYSA-N -1 3 340.309 2.925 20 30 EFEDHM C=C(C)CN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823873253 609380172 /nfs/dbraw/zinc/38/01/72/609380172.db2.gz KJEFKUTVDAECQW-UHFFFAOYSA-N -1 3 340.309 2.925 20 30 EFEDHM CCCn1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000825361071 609473189 /nfs/dbraw/zinc/47/31/89/609473189.db2.gz AWDIYVVHNYSPNR-UHFFFAOYSA-N -1 3 330.783 2.573 20 30 EFEDHM CCCn1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000825361071 609473192 /nfs/dbraw/zinc/47/31/92/609473192.db2.gz AWDIYVVHNYSPNR-UHFFFAOYSA-N -1 3 330.783 2.573 20 30 EFEDHM C[C@@H](C#N)Oc1ccccc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824035315 609512014 /nfs/dbraw/zinc/51/20/14/609512014.db2.gz WTOHYZDQRBTLOU-NSHDSACASA-N -1 3 338.346 2.909 20 30 EFEDHM C[C@@H](C#N)Oc1ccccc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824035315 609512017 /nfs/dbraw/zinc/51/20/17/609512017.db2.gz WTOHYZDQRBTLOU-NSHDSACASA-N -1 3 338.346 2.909 20 30 EFEDHM Cc1c(Cl)cnc(N(C)Cc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000826236985 609530584 /nfs/dbraw/zinc/53/05/84/609530584.db2.gz KDOOJVFJJYETNZ-UHFFFAOYSA-N -1 3 339.790 2.732 20 30 EFEDHM Cc1c(Cl)cnc(N(C)Cc2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC000826236985 609530587 /nfs/dbraw/zinc/53/05/87/609530587.db2.gz KDOOJVFJJYETNZ-UHFFFAOYSA-N -1 3 339.790 2.732 20 30 EFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000851207877 1250865437 /nfs/dbraw/zinc/86/54/37/1250865437.db2.gz IYHOGAAEPQXMKO-JTQLQIEISA-N -1 3 342.392 2.682 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC000995796141 1254705016 /nfs/dbraw/zinc/70/50/16/1254705016.db2.gz UQMVTHRRIYGFIL-WJCADGGCSA-N -1 3 342.439 2.856 20 30 EFEDHM C[C@H](Nc1ccc(C#N)nc1)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065658000 1265915020 /nfs/dbraw/zinc/91/50/20/1265915020.db2.gz YLYSOGODZVLMGI-UONOGXRCSA-N -1 3 336.395 2.622 20 30 EFEDHM C=C1CCC(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107493948 1255974074 /nfs/dbraw/zinc/97/40/74/1255974074.db2.gz QQSFIMWYSYUBFA-IHWYPQMZSA-N -1 3 346.387 2.526 20 30 EFEDHM C[C@H](CNc1ncc(C#N)cc1Cl)NC(=O)c1ccccc1[O-] ZINC001107626664 1256325646 /nfs/dbraw/zinc/32/56/46/1256325646.db2.gz BWABMSYDTASUDN-SNVBAGLBSA-N -1 3 330.775 2.543 20 30 EFEDHM C#CCN(C(=O)NCc1ccc([O-])c(Br)c1)C(C)C ZINC000921524292 1256900481 /nfs/dbraw/zinc/90/04/81/1256900481.db2.gz DBQIQHYKUFFFIM-UHFFFAOYSA-N -1 3 325.206 2.708 20 30 EFEDHM Cc1nc(NC[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)ccc1C#N ZINC001060810982 1257165054 /nfs/dbraw/zinc/16/50/54/1257165054.db2.gz MEPNVUMKBHYLJP-AWEZNQCLSA-N -1 3 336.395 2.542 20 30 EFEDHM C=CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001272781689 1258011163 /nfs/dbraw/zinc/01/11/63/1258011163.db2.gz GCKJEPMVRQSKLB-CYBMUJFWSA-N -1 3 336.382 2.575 20 30 EFEDHM C#CCCCCC(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062015482 1260017150 /nfs/dbraw/zinc/01/71/50/1260017150.db2.gz PXPVFWHUXBKDMD-MRXNPFEDSA-N -1 3 342.439 2.697 20 30 EFEDHM C=CCN1CC[C@@]2(CCCN(Cc3ccccc3C(=O)[O-])CC2)C1=O ZINC001273172660 1261467207 /nfs/dbraw/zinc/46/72/07/1261467207.db2.gz RBUPEFPJEVPGSI-FQEVSTJZSA-N -1 3 342.439 2.775 20 30 EFEDHM C=CCCC(=O)N1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC001078830680 1262397889 /nfs/dbraw/zinc/39/78/89/1262397889.db2.gz CTNHYLNQVVDZHS-OAHLLOKOSA-N -1 3 330.428 2.812 20 30 EFEDHM CC(C)C#CC(=O)N1CCC[C@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC001078831623 1262400065 /nfs/dbraw/zinc/40/00/65/1262400065.db2.gz QGRGULVHOURWFP-INIZCTEOSA-N -1 3 342.439 2.505 20 30 EFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(F)ccc(F)c1[O-] ZINC001273205794 1263253574 /nfs/dbraw/zinc/25/35/74/1263253574.db2.gz DFHISNZVAMDHAI-HZPDHXFCSA-N -1 3 336.382 2.812 20 30 EFEDHM N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)cc1 ZINC001084196323 1263694612 /nfs/dbraw/zinc/69/46/12/1263694612.db2.gz FTFRQJVAKRBNBK-IEBWSBKVSA-N -1 3 347.418 2.610 20 30 EFEDHM CC(=NNc1nc2ccccc2c(=O)n1C)c1ccc([O-])cc1F ZINC000729932072 1264114132 /nfs/dbraw/zinc/11/41/32/1264114132.db2.gz BUBAMGFMBHKZPT-UHFFFAOYSA-N -1 3 326.331 2.614 20 30 EFEDHM O=C1CCCCN1CCC/N=C/c1cc(Br)ccc1[O-] ZINC000730147879 1264214534 /nfs/dbraw/zinc/21/45/34/1264214534.db2.gz VVKZUJFRVKRWIV-GZTJUZNOSA-N -1 3 339.233 2.976 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(C(=O)[O-])cc2)C1=O ZINC001272968531 1264326538 /nfs/dbraw/zinc/32/65/38/1264326538.db2.gz CIGKMYUQAIISCR-LJQANCHMSA-N -1 3 328.412 2.528 20 30 EFEDHM C=C(C)CN1CCC2(CCN(Cc3ccc(C(=O)[O-])cc3)CC2)C1=O ZINC001272969437 1264371708 /nfs/dbraw/zinc/37/17/08/1264371708.db2.gz ROYTVJMRCFHIGS-UHFFFAOYSA-N -1 3 342.439 2.775 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC[C@H]2CN(C)C(=O)c2ccccc2[O-])C1 ZINC001002976566 1264401195 /nfs/dbraw/zinc/40/11/95/1264401195.db2.gz MNMJNLOHTVKKKM-HNNXBMFYSA-N -1 3 342.439 2.812 20 30 EFEDHM C#CCOc1cccc([C@H](C)OC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000730702259 1264421491 /nfs/dbraw/zinc/42/14/91/1264421491.db2.gz ZSEAGIUQPJAMRG-ZDUSSCGKSA-N -1 3 340.379 2.658 20 30 EFEDHM C=CCCC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001078871925 1264896758 /nfs/dbraw/zinc/89/67/58/1264896758.db2.gz YDNFOCOREZCJIX-OAHLLOKOSA-N -1 3 330.428 2.812 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2C=CCCC2)ccc1F ZINC000733437923 1265229024 /nfs/dbraw/zinc/22/90/24/1265229024.db2.gz PEHOQVMNVKMDLA-ZDUSSCGKSA-N -1 3 339.388 2.556 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001032912702 1265339907 /nfs/dbraw/zinc/33/99/07/1265339907.db2.gz GRYBKHZOJDPLSY-ZDUSSCGKSA-N -1 3 341.436 2.672 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032922196 1265407235 /nfs/dbraw/zinc/40/72/35/1265407235.db2.gz UDVYWPRJBXVDPL-KRWDZBQOSA-N -1 3 335.407 2.610 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001032922960 1265408652 /nfs/dbraw/zinc/40/86/52/1265408652.db2.gz ZEACCLOUKVHIHW-QGZVFWFLSA-N -1 3 335.407 2.610 20 30 EFEDHM N#Cc1cnccc1N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001066109135 1266587785 /nfs/dbraw/zinc/58/77/85/1266587785.db2.gz CYEAPAPJOIQKNX-ROUUACIJSA-N -1 3 348.406 2.542 20 30 EFEDHM N#Cc1cnccc1N1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001066109133 1266587801 /nfs/dbraw/zinc/58/78/01/1266587801.db2.gz CYEAPAPJOIQKNX-MSOLQXFVSA-N -1 3 348.406 2.542 20 30 EFEDHM C=CCCCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000735527247 1267348871 /nfs/dbraw/zinc/34/88/71/1267348871.db2.gz IVWFPRDZLCDEPU-UHFFFAOYSA-N -1 3 329.393 2.635 20 30 EFEDHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(C#N)cc1 ZINC000735675991 1267402319 /nfs/dbraw/zinc/40/23/19/1267402319.db2.gz RGOVJAQLCDXUDQ-LBPRGKRZSA-N -1 3 344.392 2.848 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccncc1 ZINC000735965232 1267470035 /nfs/dbraw/zinc/47/00/35/1267470035.db2.gz PGCPSWDNQLLQGA-ZDUSSCGKSA-N -1 3 325.368 2.908 20 30 EFEDHM Cc1cc(C)c(NC(=O)[C@H](C)n2ccc(C=N[O-])nc2=O)c(Cl)c1 ZINC000736306095 1267574709 /nfs/dbraw/zinc/57/47/09/1267574709.db2.gz AYSFKKWWLXCSMO-NSHDSACASA-N -1 3 348.790 2.521 20 30 EFEDHM CN(C[C@@H]1CCN1CC#Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC001085488672 1267629513 /nfs/dbraw/zinc/62/95/13/1267629513.db2.gz DRCUCZYTRNMTGC-SFHVURJKSA-N -1 3 334.419 2.590 20 30 EFEDHM N#Cc1ccc(C(=O)[N-]c2nc3cc(Br)ccn3n2)s1 ZINC001273102955 1267696503 /nfs/dbraw/zinc/69/65/03/1267696503.db2.gz NQXAEWKMDUTXKG-UHFFFAOYSA-N -1 3 348.185 2.677 20 30 EFEDHM C=C(C)COc1cc(C=[NH+][N-]c2ncnc3[n-]cnc32)ccc1OC ZINC000747047991 1278411370 /nfs/dbraw/zinc/41/13/70/1278411370.db2.gz QKTJVEXUCZGNKZ-UHFFFAOYSA-N -1 3 338.371 2.762 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000739366859 1268680186 /nfs/dbraw/zinc/68/01/86/1268680186.db2.gz LSDCQJMOZMWBLD-KBRIMQKVSA-N -1 3 344.411 2.565 20 30 EFEDHM CC(C)C#CC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001078948937 1270248776 /nfs/dbraw/zinc/24/87/76/1270248776.db2.gz SVXFVCUESDQZND-MRXNPFEDSA-N -1 3 342.439 2.505 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCc2c1cccc2F ZINC000743448198 1270582497 /nfs/dbraw/zinc/58/24/97/1270582497.db2.gz DBKIBHOSSJYMIR-UHFFFAOYSA-N -1 3 332.400 2.638 20 30 EFEDHM C[C@@H]1C[C@H]1c1ccc(C=N[N-]S(=O)(=O)CCc2ccccc2)o1 ZINC000743448331 1270582527 /nfs/dbraw/zinc/58/25/27/1270582527.db2.gz KDLMVNJBTXDCOC-CZUORRHYSA-N -1 3 332.425 2.899 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(-n3cccn3)cc2)c1[O-] ZINC000743501997 1270602193 /nfs/dbraw/zinc/60/21/93/1270602193.db2.gz VGNBUBAUVQXRGY-GMDDEGIZSA-N -1 3 336.395 2.954 20 30 EFEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1C1CC1 ZINC000744025849 1270834895 /nfs/dbraw/zinc/83/48/95/1270834895.db2.gz QCVNEOMLHKSAAI-CYBMUJFWSA-N -1 3 342.786 2.912 20 30 EFEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1C1CC1 ZINC000744028270 1270836948 /nfs/dbraw/zinc/83/69/48/1270836948.db2.gz JMKGJGXVNMYXFP-LLVKDONJSA-N -1 3 342.786 2.912 20 30 EFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nnn(C)c2C)cc1 ZINC000744033494 1270847762 /nfs/dbraw/zinc/84/77/62/1270847762.db2.gz RUEXIMVIUICPHZ-ABAIWWIYSA-N -1 3 339.399 2.598 20 30 EFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2nnn(C)c2C)cc1 ZINC000744033496 1270848491 /nfs/dbraw/zinc/84/84/91/1270848491.db2.gz RUEXIMVIUICPHZ-NHYWBVRUSA-N -1 3 339.399 2.598 20 30 EFEDHM Cn1c2ccccc2c(C=NN2CC(=O)[N-]C2=O)c1-c1ccccc1 ZINC000744810439 1271177758 /nfs/dbraw/zinc/17/77/58/1271177758.db2.gz PJWDFQKEWHRKCB-UHFFFAOYSA-N -1 3 332.363 2.731 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cccc(-n3cccn3)c2)c1[O-] ZINC000745976881 1271707028 /nfs/dbraw/zinc/70/70/28/1271707028.db2.gz OLGSDGDJGSPORA-PUFAJPFRSA-N -1 3 336.395 2.954 20 30 EFEDHM CCOC(=O)c1nc2cc(NC=CC(=O)C(F)(F)F)ccc2[n-]1 ZINC001169481312 1272945749 /nfs/dbraw/zinc/94/57/49/1272945749.db2.gz YRPVSOLNSBCLMF-AATRIKPKSA-N -1 3 327.262 2.797 20 30 EFEDHM Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(NCc2ncccc2[O-])n1 ZINC001169730627 1273140795 /nfs/dbraw/zinc/14/07/95/1273140795.db2.gz FGOJORFJCVGSQE-LPSMDMKWSA-N -1 3 346.456 2.984 20 30 EFEDHM COC(=O)n1ncc(C#N)c1[N-]c1c(Cl)nnc(Cl)c1Cl ZINC001169964624 1273283183 /nfs/dbraw/zinc/28/31/83/1273283183.db2.gz FRFRLGSGQJHBCO-UHFFFAOYSA-N -1 3 347.549 2.863 20 30 EFEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C/C=C/c2ccccc2)cc1 ZINC000746492163 1273740480 /nfs/dbraw/zinc/74/04/80/1273740480.db2.gz UBYFXMZMDCTRJL-RCYQAAHFSA-N -1 3 345.380 2.713 20 30 EFEDHM Cc1ccc(C#N)c(NC[C@H](NC(=O)c2ccccc2[O-])C2CC2)n1 ZINC001109779214 1274626640 /nfs/dbraw/zinc/62/66/40/1274626640.db2.gz IFVFCJDKXHCIQL-INIZCTEOSA-N -1 3 336.395 2.588 20 30 EFEDHM CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786132962 1275320333 /nfs/dbraw/zinc/32/03/33/1275320333.db2.gz YQVNZHKYVMMVBV-LLVKDONJSA-N -1 3 346.408 2.772 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cnn(C(C)(C)C)c1C ZINC000787152862 1275687033 /nfs/dbraw/zinc/68/70/33/1275687033.db2.gz DUQIZQCXZKXMJR-UHFFFAOYSA-N -1 3 348.472 2.790 20 30 EFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cnn(C(C)C)c1C ZINC000787158558 1275696179 /nfs/dbraw/zinc/69/61/79/1275696179.db2.gz VDDMAFPAAIXACH-UHFFFAOYSA-N -1 3 348.472 2.659 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000788322254 1276144943 /nfs/dbraw/zinc/14/49/43/1276144943.db2.gz XFKMCCXOCRUPIS-SVZNOHIVSA-N -1 3 339.439 2.923 20 30 EFEDHM C#CCSc1ccc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000788411603 1276171415 /nfs/dbraw/zinc/17/14/15/1276171415.db2.gz KXIACGKPNOGVHQ-UHFFFAOYSA-N -1 3 342.420 2.810 20 30 EFEDHM Cc1nsc(N[C@@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])c1C#N ZINC001112911350 1276232391 /nfs/dbraw/zinc/23/23/91/1276232391.db2.gz ONYHQDJMLCJUPY-ZJUUUORDSA-N -1 3 330.413 2.648 20 30 EFEDHM C[C@@H](NC(=O)c1ccccc1[O-])[C@@H](C)Nc1ncc(C#N)cc1Cl ZINC001112912085 1276233411 /nfs/dbraw/zinc/23/34/11/1276233411.db2.gz VMZBWLFBTGJKGM-GHMZBOCLSA-N -1 3 344.802 2.931 20 30 EFEDHM COc1c2ccccc2oc1C/N=C\c1c([O-])c(C)ncc1CO ZINC000788674248 1276254422 /nfs/dbraw/zinc/25/44/22/1276254422.db2.gz GXURUOWOTZUTOT-UWVJOHFNSA-N -1 3 326.352 2.962 20 30 EFEDHM C#Cc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000792633342 1279014455 /nfs/dbraw/zinc/01/44/55/1279014455.db2.gz DQLFJQRPSUDOLA-UHFFFAOYSA-N -1 3 334.383 2.714 20 30 EFEDHM C=C[C@@H](C)[C@H](C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062570345 1276272412 /nfs/dbraw/zinc/27/24/12/1276272412.db2.gz VLIBIZDGRJEIEJ-KGLIPLIRSA-N -1 3 330.428 2.619 20 30 EFEDHM CCCCCCCN1CCN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC001112992652 1276429696 /nfs/dbraw/zinc/42/96/96/1276429696.db2.gz LGYHFQLKHQIXJA-UHFFFAOYSA-N -1 3 346.475 2.788 20 30 EFEDHM O=C(CCCc1ccc2ccccc2c1)N[C@@H]1CCCN([O-])C1=O ZINC000820475996 1277188257 /nfs/dbraw/zinc/18/82/57/1277188257.db2.gz FHEHPGYMVUUZLJ-QGZVFWFLSA-N -1 3 326.396 2.659 20 30 EFEDHM C/C(=C/C(=O)N[C@H]1CCCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000820477296 1277188760 /nfs/dbraw/zinc/18/87/60/1277188760.db2.gz WXHLPMDMOCGCFC-KJJQSCHISA-N -1 3 342.317 2.605 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1Sc1ccccc1 ZINC000820482924 1277191423 /nfs/dbraw/zinc/19/14/23/1277191423.db2.gz UJFXNZOOPJJJKJ-HNNXBMFYSA-N -1 3 342.420 2.948 20 30 EFEDHM Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000820481937 1277191450 /nfs/dbraw/zinc/19/14/50/1277191450.db2.gz BJXYZOZSQSFCHU-CQSZACIVSA-N -1 3 330.409 2.834 20 30 EFEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000820798191 1277330466 /nfs/dbraw/zinc/33/04/66/1277330466.db2.gz ZWPWXTFUAQGMQR-UHFFFAOYSA-N -1 3 336.638 2.793 20 30 EFEDHM CC(C)(C)n1ncc2c1nc(NN=Cc1ccc([O-])cc1F)[nH]c2=O ZINC000844581410 1279100968 /nfs/dbraw/zinc/10/09/68/1279100968.db2.gz ONONNJXIUFGJKJ-UHFFFAOYSA-N -1 3 344.350 2.578 20 30 EFEDHM COC(=O)[C@H](COCc1ccccc1)Nc1cccc(/C=N/[O-])c1 ZINC001170142210 1277715345 /nfs/dbraw/zinc/71/53/45/1277715345.db2.gz RRCWZZDGTUPZTN-WAKXPGHKSA-N -1 3 328.368 2.665 20 30 EFEDHM COc1ccc(CCC(=O)[N-]OCCOc2cccc(C#N)c2)cc1 ZINC000871798459 1287297655 /nfs/dbraw/zinc/29/76/55/1287297655.db2.gz XFEDOKRHISIWBL-UHFFFAOYSA-N -1 3 340.379 2.626 20 30 EFEDHM CCOC(=O)c1nn(C)cc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@@H]1C ZINC000792871350 1279206365 /nfs/dbraw/zinc/20/63/65/1279206365.db2.gz VQVABKWCYIDUJR-MDXIRLPMSA-N -1 3 344.342 2.825 20 30 EFEDHM N#CC1(CCCOC(=O)c2ccc(N)c(Cl)c2[O-])CCOCC1 ZINC000845191620 1279481885 /nfs/dbraw/zinc/48/18/85/1279481885.db2.gz KGYSHKMGZWDCBL-UHFFFAOYSA-N -1 3 338.791 2.885 20 30 EFEDHM N#Cc1ccc([O-])c(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000845886994 1279913366 /nfs/dbraw/zinc/91/33/66/1279913366.db2.gz HMEMUCXNMFMCHG-QWRGUYRKSA-N -1 3 328.290 2.950 20 30 EFEDHM N#Cc1ccc([O-])c(NC(=O)C(C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000845886995 1279913610 /nfs/dbraw/zinc/91/36/10/1279913610.db2.gz HMEMUCXNMFMCHG-WDEREUQCSA-N -1 3 328.290 2.950 20 30 EFEDHM C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144654400 1279960128 /nfs/dbraw/zinc/96/01/28/1279960128.db2.gz KEJKSDLSBGDBDD-KDOFPFPSSA-N -1 3 339.382 2.997 20 30 EFEDHM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000846148963 1280037005 /nfs/dbraw/zinc/03/70/05/1280037005.db2.gz CYJDXJHBYHXGLZ-AWEZNQCLSA-N -1 3 345.443 2.609 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000846545523 1280239847 /nfs/dbraw/zinc/23/98/47/1280239847.db2.gz HDBAFMHSQQFWKU-RYUDHWBXSA-N -1 3 332.429 2.530 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000846544954 1280240570 /nfs/dbraw/zinc/24/05/70/1280240570.db2.gz CTJAMSDUNJKBFH-MRVPVSSYSA-N -1 3 329.150 2.522 20 30 EFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)[N-]OC3CCCCC3)C2)c(F)c1 ZINC000804580165 1280301300 /nfs/dbraw/zinc/30/13/00/1280301300.db2.gz XAXJRZXEUVNMEQ-CQSZACIVSA-N -1 3 331.391 2.904 20 30 EFEDHM O=C1COc2c(N=Cc3ccc(O)c([O-])c3O)cc(Cl)cc2N1 ZINC000804599216 1280317624 /nfs/dbraw/zinc/31/76/24/1280317624.db2.gz WJKSBDNSFKYOOU-UHFFFAOYSA-N -1 3 334.715 2.538 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc2ccccc2s1 ZINC000805006167 1280426833 /nfs/dbraw/zinc/42/68/33/1280426833.db2.gz YRTLADSHXRFVMY-SECBINFHSA-N -1 3 333.394 2.800 20 30 EFEDHM C=CCCCCCC[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000805105368 1280441017 /nfs/dbraw/zinc/44/10/17/1280441017.db2.gz SWFDLSXTHBJHFD-UHFFFAOYSA-N -1 3 331.463 2.516 20 30 EFEDHM N#CC(CCOC(=O)c1cnn[n-]1)(c1ccccc1)c1ccccc1 ZINC000805605185 1280632232 /nfs/dbraw/zinc/63/22/32/1280632232.db2.gz WAPXNIVCJIMDPB-UHFFFAOYSA-N -1 3 332.363 2.861 20 30 EFEDHM N#CC(CCOC(=O)c1c[n-]nn1)(c1ccccc1)c1ccccc1 ZINC000805605185 1280632235 /nfs/dbraw/zinc/63/22/35/1280632235.db2.gz WAPXNIVCJIMDPB-UHFFFAOYSA-N -1 3 332.363 2.861 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2scnc2C)c(C)c1[O-] ZINC001147386033 1281161397 /nfs/dbraw/zinc/16/13/97/1281161397.db2.gz MGHIKTWECMTJEW-UHFFFAOYSA-N -1 3 345.380 2.766 20 30 EFEDHM CC(C)(CCC#N)c1ccc(C(=O)N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC001148900800 1281798972 /nfs/dbraw/zinc/79/89/72/1281798972.db2.gz LGVFPKLXRBSNNP-UHFFFAOYSA-N -1 3 334.383 2.560 20 30 EFEDHM COc1cccc2c(C(=O)OCc3ccc(OCC#N)cc3)n[n-]c21 ZINC000808675768 1281862231 /nfs/dbraw/zinc/86/22/31/1281862231.db2.gz RUMGEARKKLFMEG-UHFFFAOYSA-N -1 3 337.335 2.831 20 30 EFEDHM COc1cccc2c(C(=O)OCc3ccc(OCC#N)cc3)[n-]nc21 ZINC000808675768 1281862234 /nfs/dbraw/zinc/86/22/34/1281862234.db2.gz RUMGEARKKLFMEG-UHFFFAOYSA-N -1 3 337.335 2.831 20 30 EFEDHM N#CC(=C([O-])c1ccnc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000808978035 1281979077 /nfs/dbraw/zinc/97/90/77/1281979077.db2.gz DALTVHWVBCXKIU-LLVKDONJSA-N -1 3 349.316 2.908 20 30 EFEDHM Cc1csc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1C#N ZINC000809003847 1281998920 /nfs/dbraw/zinc/99/89/20/1281998920.db2.gz YAZVDRVUZORORV-UHFFFAOYSA-N -1 3 332.297 2.997 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc2cc(Br)ccc2s1 ZINC001171365670 1282091392 /nfs/dbraw/zinc/09/13/92/1282091392.db2.gz HCRJXQIZNGFWLY-WKEGUHRASA-N -1 3 342.218 2.707 20 30 EFEDHM N#Cc1cccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1F ZINC000810066281 1282846873 /nfs/dbraw/zinc/84/68/73/1282846873.db2.gz JDMWDTAJGOWQHA-NSHDSACASA-N -1 3 343.324 2.588 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nnc3ccccc3n2)cc1 ZINC000810531068 1283323424 /nfs/dbraw/zinc/32/34/24/1283323424.db2.gz JOBGDBLPGGIHFB-AWEZNQCLSA-N -1 3 345.362 2.548 20 30 EFEDHM Cc1ncccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000810885620 1283788369 /nfs/dbraw/zinc/78/83/69/1283788369.db2.gz IUKNHRRDDFVHPB-UHFFFAOYSA-N -1 3 325.368 2.655 20 30 EFEDHM COC(=O)c1oc([C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1C ZINC000811185745 1284093212 /nfs/dbraw/zinc/09/32/12/1284093212.db2.gz SMKBLUYTRVXIHP-JTQLQIEISA-N -1 3 329.308 2.870 20 30 EFEDHM CC(C)CO[C@H](C)c1noc(COC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000811184379 1284093288 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1286825216 /nfs/dbraw/zinc/82/52/16/1286825216.db2.gz DHIYTLSDLLIFEI-UHFFFAOYSA-N -1 3 348.403 2.702 20 30 EFEDHM COc1ccc(CC(C)N=Nc2nc(C)cc(=O)[n-]2)c(C)c1OC ZINC000814681486 1286891774 /nfs/dbraw/zinc/89/17/74/1286891774.db2.gz OLCULIOECGGYAL-UHFFFAOYSA-N -1 3 330.388 2.847 20 30 EFEDHM Cc1cc(=O)[n-]c(N=NC2CCCN(Cc3ccccc3)[C@@H]2C)n1 ZINC000814681710 1286893281 /nfs/dbraw/zinc/89/32/81/1286893281.db2.gz YRRYEHLBSAEZJU-CQSZACIVSA-N -1 3 325.416 2.943 20 30 EFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnnn2CC)cc1 ZINC000815908125 1287878041 /nfs/dbraw/zinc/87/80/41/1287878041.db2.gz TWQJCOULMREKEL-HNNXBMFYSA-N -1 3 339.399 2.602 20 30 EFEDHM CCn1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)n1 ZINC000815909316 1287878915 /nfs/dbraw/zinc/87/89/15/1287878915.db2.gz XCPPKUSDCYDDTO-OAHLLOKOSA-N -1 3 347.378 2.721 20 30 EFEDHM N#Cc1cc(Nc2cc(C(=O)N3CCOCC3)ccc2F)ccc1[O-] ZINC001176251471 1287928309 /nfs/dbraw/zinc/92/83/09/1287928309.db2.gz ZOJXUVUUDWAJTN-UHFFFAOYSA-N -1 3 341.342 2.619 20 30 EFEDHM O=C(NO)c1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)cc1 ZINC000816404108 1288112116 /nfs/dbraw/zinc/11/21/16/1288112116.db2.gz PCUKZPHXZOFYJI-UHFFFAOYSA-N -1 3 336.347 2.594 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000816755792 1288265736 /nfs/dbraw/zinc/26/57/36/1288265736.db2.gz JMIDRYYACWSCLP-INIZCTEOSA-N -1 3 346.333 2.742 20 30 EFEDHM Cc1sc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1-c1ccc(F)cc1 ZINC000816757634 1288265928 /nfs/dbraw/zinc/26/59/28/1288265928.db2.gz XWFYYLGGMILOTL-CQSZACIVSA-N -1 3 348.399 2.973 20 30 EFEDHM CC[C@@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816758251 1288266558 /nfs/dbraw/zinc/26/65/58/1288266558.db2.gz LDWCHZJSFNAWSF-OLZOCXBDSA-N -1 3 344.333 2.695 20 30 EFEDHM CCOC(=O)c1c(C)[nH]cc1CCC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001177834957 1288564160 /nfs/dbraw/zinc/56/41/60/1288564160.db2.gz UBMBISZXQLHYGN-UHFFFAOYSA-N -1 3 341.367 2.648 20 30 EFEDHM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000823161067 1289231943 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20 30 EFEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nnc2n1CCCCC2 ZINC000091440892 1290071744 /nfs/dbraw/zinc/07/17/44/1290071744.db2.gz XWPJRXHTVVMLKB-VUDGCMKMSA-N -1 3 341.802 2.943 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3cc(C#N)ccc3[O-])C[C@@H]21 ZINC001232675029 1312758480 /nfs/dbraw/zinc/75/84/80/1312758480.db2.gz KBAOSONKLKFEDI-HOCLYGCPSA-N -1 3 343.427 2.705 20 30 EFEDHM N#Cc1ccc([O-])c(CN2CCC(O)(c3ccccc3F)CC2)c1 ZINC001232676572 1312758905 /nfs/dbraw/zinc/75/89/05/1312758905.db2.gz MLGRKTFWSAWVSJ-UHFFFAOYSA-N -1 3 326.371 2.887 20 30 EFEDHM C=C[C@H]1C[C@@]1([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)OCC ZINC001182890764 1290270600 /nfs/dbraw/zinc/27/06/00/1290270600.db2.gz SYWYGGDWGDARRX-BONVTDFDSA-N -1 3 327.302 2.542 20 30 EFEDHM C=CCC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CCC1 ZINC001110327568 1290302765 /nfs/dbraw/zinc/30/27/65/1290302765.db2.gz ZPQAHNBIWRFHRE-UHFFFAOYSA-N -1 3 346.387 2.503 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H](C)CSC)c(C)c1[O-] ZINC001183214218 1290310745 /nfs/dbraw/zinc/31/07/45/1290310745.db2.gz MPVJWYLIXJOQRI-VIFPVBQESA-N -1 3 336.413 2.687 20 30 EFEDHM C#C[C@@H]1CCCN(Cc2ccc([O-])c(I)c2)C1 ZINC001232870302 1312799719 /nfs/dbraw/zinc/79/97/19/1312799719.db2.gz OJRUGKLINJONJX-LLVKDONJSA-N -1 3 341.192 2.842 20 30 EFEDHM C[C@H](C#N)N(C)C(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185932788 1290796722 /nfs/dbraw/zinc/79/67/22/1290796722.db2.gz HCUKYRQVMFUXNG-OAHLLOKOSA-N -1 3 345.443 2.833 20 30 EFEDHM C=CCN1C(=O)CCC12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001232972490 1312821929 /nfs/dbraw/zinc/82/19/29/1312821929.db2.gz OCVXUFGIJJPHME-UHFFFAOYSA-N -1 3 336.382 2.813 20 30 EFEDHM N#Cc1ccc([O-])c(Nc2cnn(CCO[C@H]3CCCCO3)c2)c1 ZINC001212952765 1290978300 /nfs/dbraw/zinc/97/83/00/1290978300.db2.gz UFEBZGBTYVPTOQ-KRWDZBQOSA-N -1 3 328.372 2.747 20 30 EFEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccccc1-c1nnn[n-]1 ZINC001187007641 1291070805 /nfs/dbraw/zinc/07/08/05/1291070805.db2.gz FDUPOKWVEQTQIW-CYBMUJFWSA-N -1 3 349.394 2.923 20 30 EFEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccccc1-c1nn[n-]n1 ZINC001187007641 1291070813 /nfs/dbraw/zinc/07/08/13/1291070813.db2.gz FDUPOKWVEQTQIW-CYBMUJFWSA-N -1 3 349.394 2.923 20 30 EFEDHM N#Cc1cc(F)c(NC(=O)c2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001187008696 1291071875 /nfs/dbraw/zinc/07/18/75/1291071875.db2.gz ITJHXTZSOGPHKQ-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(F)c(NC(=O)c2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001187008696 1291071882 /nfs/dbraw/zinc/07/18/82/1291071882.db2.gz ITJHXTZSOGPHKQ-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 ZINC001187979836 1291277798 /nfs/dbraw/zinc/27/77/98/1291277798.db2.gz LFXQBTPVBHRURW-DTORHVGOSA-N -1 3 334.228 2.749 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC001188087632 1291309267 /nfs/dbraw/zinc/30/92/67/1291309267.db2.gz NJEDFSCBHPXVII-DTORHVGOSA-N -1 3 334.228 2.749 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc(-c3cnc(N)nc3)c2)ccc1[O-] ZINC001188462596 1291394756 /nfs/dbraw/zinc/39/47/56/1291394756.db2.gz MWNOQUQAMKOHPU-UHFFFAOYSA-N -1 3 331.335 2.555 20 30 EFEDHM O=C(Nc1ccccc1-c1cccs1)N[C@H]1CCCN([O-])C1=O ZINC000878105103 1291498575 /nfs/dbraw/zinc/49/85/75/1291498575.db2.gz WHIGSANAFPTRTQ-ZDUSSCGKSA-N -1 3 331.397 2.917 20 30 EFEDHM Cc1nc(NC(=O)c2ccc(C#C[Si](C)(C)C)cc2)cc(=O)[n-]1 ZINC001189163410 1291586989 /nfs/dbraw/zinc/58/69/89/1291586989.db2.gz NPYBNMIIPPKPSB-UHFFFAOYSA-N -1 3 325.444 2.972 20 30 EFEDHM COc1cc([O-])c(CN2CC[C@](C)(C#N)C2)cc1Br ZINC001233142923 1312866198 /nfs/dbraw/zinc/86/61/98/1312866198.db2.gz RJOKEDDEJUVTGB-CQSZACIVSA-N -1 3 325.206 2.899 20 30 EFEDHM CCCOc1ccc(Cl)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878329330 1291628005 /nfs/dbraw/zinc/62/80/05/1291628005.db2.gz XIUYEMZFTOINIF-NSHDSACASA-N -1 3 341.795 2.631 20 30 EFEDHM CCCOc1ccc(Cl)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878329328 1291628379 /nfs/dbraw/zinc/62/83/79/1291628379.db2.gz XIUYEMZFTOINIF-LLVKDONJSA-N -1 3 341.795 2.631 20 30 EFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC000795927789 1291683969 /nfs/dbraw/zinc/68/39/69/1291683969.db2.gz HRMKKLAIYBCTKZ-UHFFFAOYSA-N -1 3 329.393 2.637 20 30 EFEDHM N#Cc1cnc([N-]S(=O)(=O)Cc2cccc(F)c2F)c(Cl)c1 ZINC001189416898 1291717114 /nfs/dbraw/zinc/71/71/14/1291717114.db2.gz GTTXWEKPTCCRMO-UHFFFAOYSA-N -1 3 343.742 2.827 20 30 EFEDHM C#CC1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CC1 ZINC001189771558 1291851323 /nfs/dbraw/zinc/85/13/23/1291851323.db2.gz JUYFWSQGUKJIDB-UHFFFAOYSA-N -1 3 334.622 2.547 20 30 EFEDHM Cc1c(NC(=O)N[C@@H]2CCCN([O-])C2=O)cccc1C(F)(F)F ZINC000878937156 1291879375 /nfs/dbraw/zinc/87/93/75/1291879375.db2.gz RVHUOKFTLMMOJE-LLVKDONJSA-N -1 3 331.294 2.516 20 30 EFEDHM C=CC(C)(C)CC(=O)N[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001114795321 1292029408 /nfs/dbraw/zinc/02/94/08/1292029408.db2.gz AXRMNKPAMBIZGG-HAQNSBGRSA-N -1 3 348.403 2.604 20 30 EFEDHM C=C(C)Cc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001190232714 1292055914 /nfs/dbraw/zinc/05/59/14/1292055914.db2.gz GNXLIUPWAXKSJS-UHFFFAOYSA-N -1 3 333.395 2.915 20 30 EFEDHM C=C(C)Cc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001190232714 1292055924 /nfs/dbraw/zinc/05/59/24/1292055924.db2.gz GNXLIUPWAXKSJS-UHFFFAOYSA-N -1 3 333.395 2.915 20 30 EFEDHM Cc1cc(-c2ncccc2NC(=O)N[C@H]2CCCN([O-])C2=O)cs1 ZINC000879317333 1292068772 /nfs/dbraw/zinc/06/87/72/1292068772.db2.gz GNDBJINGTYGCJA-ZDUSSCGKSA-N -1 3 346.412 2.620 20 30 EFEDHM Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCCN([O-])C2=O)cs1 ZINC000879447518 1292137420 /nfs/dbraw/zinc/13/74/20/1292137420.db2.gz MUXKSJCVAIHLPA-ZDUSSCGKSA-N -1 3 346.412 2.620 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3)c2)ccc1[O-] ZINC001190557961 1292219361 /nfs/dbraw/zinc/21/93/61/1292219361.db2.gz UUEGGTUDHHCYDT-UHFFFAOYSA-N -1 3 345.358 2.726 20 30 EFEDHM Cc1nc2ccc(F)cn2c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190619409 1292228815 /nfs/dbraw/zinc/22/88/15/1292228815.db2.gz LBRYHLYBQPTUPT-UHFFFAOYSA-N -1 3 348.334 2.593 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cnc3ccccc3c2)c1 ZINC001190661170 1292250128 /nfs/dbraw/zinc/25/01/28/1292250128.db2.gz MRVZTSDYEZSGCL-UHFFFAOYSA-N -1 3 341.367 2.724 20 30 EFEDHM CC1(C)CC([N-]S(=O)(=O)c2cc(C#N)ccc2F)CC(C)(C)O1 ZINC001190669385 1292254468 /nfs/dbraw/zinc/25/44/68/1292254468.db2.gz PMUXTUKJWWFPGZ-UHFFFAOYSA-N -1 3 340.420 2.712 20 30 EFEDHM C[C@@H](CCc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190669646 1292255564 /nfs/dbraw/zinc/25/55/64/1292255564.db2.gz VYMHKCPNEODQAY-LBPRGKRZSA-N -1 3 348.399 2.703 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc3cnccc32)c1 ZINC001190677931 1292282479 /nfs/dbraw/zinc/28/24/79/1292282479.db2.gz WKSDGCSDEOPABC-UHFFFAOYSA-N -1 3 341.367 2.724 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccnc(F)c2)C2CC2)c1 ZINC001190678054 1292282709 /nfs/dbraw/zinc/28/27/09/1292282709.db2.gz ZKJQZCKAGJNFHR-INIZCTEOSA-N -1 3 349.362 2.661 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cnc3cc(C(F)(F)F)nn3c2)CC1 ZINC001190774146 1292308755 /nfs/dbraw/zinc/30/87/55/1292308755.db2.gz ZBLJSPAYBMRCMX-UHFFFAOYSA-N -1 3 346.334 2.599 20 30 EFEDHM CCOC[C@@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2cnn(CC)c21 ZINC001233384966 1312918859 /nfs/dbraw/zinc/91/88/59/1312918859.db2.gz PEEWFYUEHWRREV-KRWDZBQOSA-N -1 3 340.427 2.616 20 30 EFEDHM CC(C)(C)OC(=O)N1CCCC12CN(Cc1ccc(C#N)cc1[O-])C2 ZINC001233383981 1312918941 /nfs/dbraw/zinc/91/89/41/1312918941.db2.gz CKGZAVWKFDXIIF-UHFFFAOYSA-N -1 3 343.427 2.849 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1ccc(C#N)cc1[O-] ZINC001233384527 1312919084 /nfs/dbraw/zinc/91/90/84/1312919084.db2.gz YQUJPVCMWHCZJZ-CVEARBPZSA-N -1 3 343.427 2.848 20 30 EFEDHM O=C(Nc1nc(C2CCCCC2)cs1)N[C@H]1CCCN([O-])C1=O ZINC000880244350 1292424466 /nfs/dbraw/zinc/42/44/66/1292424466.db2.gz CWZIXNNZZFHPAD-NSHDSACASA-N -1 3 338.433 2.693 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2[nH]cc(C)c2C)c(C)c1[O-] ZINC001191160056 1292485638 /nfs/dbraw/zinc/48/56/38/1292485638.db2.gz XERPVAXDEVEEEA-UHFFFAOYSA-N -1 3 341.367 2.946 20 30 EFEDHM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000880973658 1292705317 /nfs/dbraw/zinc/70/53/17/1292705317.db2.gz GLYKLDGQFFQRNZ-NSHDSACASA-N -1 3 345.321 2.824 20 30 EFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)cc1F ZINC000903619578 1312953769 /nfs/dbraw/zinc/95/37/69/1312953769.db2.gz HROOPNUGXKRHMH-BMIGLBTASA-N -1 3 344.383 2.724 20 30 EFEDHM N#Cc1ccc([O-])c(Nc2ccc(F)c(C(=O)N3CCOCC3)c2)c1 ZINC001192212681 1292826641 /nfs/dbraw/zinc/82/66/41/1292826641.db2.gz YKCYCVVSMLMCLM-UHFFFAOYSA-N -1 3 341.342 2.619 20 30 EFEDHM C[C@H](CCCNc1ncc(C#N)cc1F)NC(=O)c1ccccc1[O-] ZINC001114842101 1292831277 /nfs/dbraw/zinc/83/12/77/1292831277.db2.gz KPRRZMJHOPOORZ-GFCCVEGCSA-N -1 3 342.374 2.809 20 30 EFEDHM C#CCN(C)Cc1cc(Br)cc(Br)c1[O-] ZINC001203568246 1312958469 /nfs/dbraw/zinc/95/84/69/1312958469.db2.gz GVFOMDISQOOSBJ-UHFFFAOYSA-N -1 3 333.023 2.982 20 30 EFEDHM N#Cc1ccnc(N2CCC(Oc3ccc4occ([O-])c4c3)CC2)c1 ZINC001233680899 1312969215 /nfs/dbraw/zinc/96/92/15/1312969215.db2.gz PDLCHSYXXGILGV-UHFFFAOYSA-N -1 3 335.363 2.576 20 30 EFEDHM N#Cc1ccccc1CN1CC[C@@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233681365 1312969725 /nfs/dbraw/zinc/96/97/25/1312969725.db2.gz WANYIBXQBQLOKR-QGZVFWFLSA-N -1 3 334.375 2.787 20 30 EFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1c(F)c(F)c(F)cc1Br ZINC001193146581 1293186229 /nfs/dbraw/zinc/18/62/29/1293186229.db2.gz PHXPSFSNMRUSFY-SCSAIBSYSA-N -1 3 343.124 2.520 20 30 EFEDHM COC(=O)c1ccc(-c2cccc([N-]S(=O)(=O)[C@H](C)C#N)c2)cc1 ZINC001193150771 1293187011 /nfs/dbraw/zinc/18/70/11/1293187011.db2.gz JECXLODVLXJUBT-GFCCVEGCSA-N -1 3 344.392 2.794 20 30 EFEDHM N#Cc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)ccc1[O-] ZINC001193511212 1293339876 /nfs/dbraw/zinc/33/98/76/1293339876.db2.gz ADUUVEIDUDLWMU-SFHVURJKSA-N -1 3 335.407 2.831 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000883047808 1293441913 /nfs/dbraw/zinc/44/19/13/1293441913.db2.gz BEHYBMYIZCBBNE-NWDGAFQWSA-N -1 3 337.288 2.849 20 30 EFEDHM Cc1cc(C#N)ccc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194044885 1293510873 /nfs/dbraw/zinc/51/08/73/1293510873.db2.gz PTBMOHCZVYJVEC-UHFFFAOYSA-N -1 3 327.365 2.950 20 30 EFEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC001194094514 1293530002 /nfs/dbraw/zinc/53/00/02/1293530002.db2.gz DNGBRWOXQSFDGO-UHFFFAOYSA-N -1 3 327.365 2.950 20 30 EFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2Cc1sccc1C(=O)[O-] ZINC001273679197 1293664481 /nfs/dbraw/zinc/66/44/81/1293664481.db2.gz IEICTQXYMMNPBC-SFHVURJKSA-N -1 3 348.468 2.979 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCCN2Cc2sccc2C(=O)[O-])C1=O ZINC001273679653 1293674931 /nfs/dbraw/zinc/67/49/31/1293674931.db2.gz NFRRUAHATCUEDV-QGZVFWFLSA-N -1 3 334.441 2.589 20 30 EFEDHM CCc1ncc(Br)c(C(=O)Nc2ccc([O-])c(C#N)c2)n1 ZINC001195160736 1293833820 /nfs/dbraw/zinc/83/38/20/1293833820.db2.gz QEMRZEHXVMEHLM-UHFFFAOYSA-N -1 3 347.172 2.631 20 30 EFEDHM Cc1coc([N-]C(=O)c2cn(Cc3c(F)cccc3F)nn2)c1C#N ZINC001195377075 1293913350 /nfs/dbraw/zinc/91/33/50/1293913350.db2.gz LZWXIZSBZJVQFE-UHFFFAOYSA-N -1 3 343.293 2.630 20 30 EFEDHM N#Cc1ccc(COC(=O)c2cccc3nn[n-]c32)c(OC(F)F)c1 ZINC000800208022 1293957248 /nfs/dbraw/zinc/95/72/48/1293957248.db2.gz ANEQOAFGYPJXIL-UHFFFAOYSA-N -1 3 344.277 2.788 20 30 EFEDHM N#Cc1ccc(COC(=O)c2cccc3[n-]nnc32)c(OC(F)F)c1 ZINC000800208022 1293957252 /nfs/dbraw/zinc/95/72/52/1293957252.db2.gz ANEQOAFGYPJXIL-UHFFFAOYSA-N -1 3 344.277 2.788 20 30 EFEDHM N#Cc1ccc(COC(=O)c2cccc3n[n-]nc32)c(OC(F)F)c1 ZINC000800208022 1293957257 /nfs/dbraw/zinc/95/72/57/1293957257.db2.gz ANEQOAFGYPJXIL-UHFFFAOYSA-N -1 3 344.277 2.788 20 30 EFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000102119575 1294001071 /nfs/dbraw/zinc/00/10/71/1294001071.db2.gz TUQCNTNHRVYRDW-ZDUSSCGKSA-N -1 3 339.307 2.565 20 30 EFEDHM CN1CCC(N(C(=O)c2ccc(C#N)cc2[O-])C2CCCC2)CC1 ZINC001195751332 1294029814 /nfs/dbraw/zinc/02/98/14/1294029814.db2.gz SDSFCRMKEKEATP-UHFFFAOYSA-N -1 3 327.428 2.743 20 30 EFEDHM CC1(COc2ccc(C(=O)Nc3ccc([O-])c(C#N)c3)cc2)COC1 ZINC001196036326 1294118356 /nfs/dbraw/zinc/11/83/56/1294118356.db2.gz UNBGPTHBXNHIMX-UHFFFAOYSA-N -1 3 338.363 2.931 20 30 EFEDHM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(F)n1 ZINC001196648053 1294318143 /nfs/dbraw/zinc/31/81/43/1294318143.db2.gz PNPBTSRBNJCACF-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM C=C1CCC(C(=O)N(C)C2CC(NC(=O)c3ccccc3[O-])C2)CC1 ZINC001016975895 1313067030 /nfs/dbraw/zinc/06/70/30/1313067030.db2.gz CINFLHZJRXUEDS-UHFFFAOYSA-N -1 3 342.439 2.858 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)c1cscn1 ZINC001196698161 1294332737 /nfs/dbraw/zinc/33/27/37/1294332737.db2.gz PATKEPTUKQEJDO-QMMMGPOBSA-N -1 3 327.818 2.708 20 30 EFEDHM CC(C)(C)OC(=O)N1CCCO[C@H](COc2cc([O-])cc(C#N)c2)C1 ZINC001234143188 1313067508 /nfs/dbraw/zinc/06/75/08/1313067508.db2.gz APZFJSLECNSZMB-INIZCTEOSA-N -1 3 348.399 2.669 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc([O-])cc(C#N)c2)C[C@H]1C#N ZINC001234144631 1313067654 /nfs/dbraw/zinc/06/76/54/1313067654.db2.gz RQLUXVBVUAROPJ-SWLSCSKDSA-N -1 3 329.356 2.544 20 30 EFEDHM Cc1cnc(Cl)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1 ZINC000885168174 1294342831 /nfs/dbraw/zinc/34/28/31/1294342831.db2.gz SVIOEJZFIVGMHV-UHFFFAOYSA-N -1 3 327.837 2.652 20 30 EFEDHM Cc1cc(N2CC[C@@H](Oc3cc([O-])cc(C#N)c3)C2)nc(Cl)n1 ZINC001234144774 1313068373 /nfs/dbraw/zinc/06/83/73/1313068373.db2.gz VXFMPMBABBRREI-CYBMUJFWSA-N -1 3 330.775 2.673 20 30 EFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC001196690329 1294346528 /nfs/dbraw/zinc/34/65/28/1294346528.db2.gz KRWIXDNOTIHTQD-SECBINFHSA-N -1 3 334.775 2.925 20 30 EFEDHM COc1ccc(F)c(S(=O)(=O)[N-][C@H](C#N)c2ccc(F)cc2)c1 ZINC001196785262 1294364956 /nfs/dbraw/zinc/36/49/56/1294364956.db2.gz SFSZWUYLGNFLTA-CQSZACIVSA-N -1 3 338.335 2.517 20 30 EFEDHM COc1cc([O-])ccc1C(=O)Nc1c(C#N)cnnc1-c1ccccc1 ZINC001197151961 1294469696 /nfs/dbraw/zinc/46/96/96/1294469696.db2.gz AJXDLYGZVMQWHE-UHFFFAOYSA-N -1 3 346.346 2.982 20 30 EFEDHM COc1cc([O-])ccc1C(=O)Nc1ncc(C#N)cc1Br ZINC001197153052 1294469821 /nfs/dbraw/zinc/46/98/21/1294469821.db2.gz BRTWSVFDMSFBIG-UHFFFAOYSA-N -1 3 348.156 2.682 20 30 EFEDHM C#CCSCC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000885894119 1294546954 /nfs/dbraw/zinc/54/69/54/1294546954.db2.gz IMICCPCVJWTVLA-SECBINFHSA-N -1 3 336.438 2.984 20 30 EFEDHM C=C[C@@H]1O[C@@H](Oc2c(Cl)ccc([O-])c2F)[C@H]2OC(C)(C)O[C@@H]12 ZINC001234263001 1313091259 /nfs/dbraw/zinc/09/12/59/1313091259.db2.gz OAIRDFYAEQZMSH-HBEIAFGSSA-N -1 3 330.739 2.995 20 30 EFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc2c1[N-]C(=O)C2=O ZINC001152448200 1295037327 /nfs/dbraw/zinc/03/73/27/1295037327.db2.gz GKUBMYBGJGOSAL-UHFFFAOYSA-N -1 3 336.351 2.502 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000959222994 1295077676 /nfs/dbraw/zinc/07/76/76/1295077676.db2.gz XTHJBSOVOYHQNK-HUUCEWRRSA-N -1 3 344.455 2.961 20 30 EFEDHM N#Cc1cccc2nc(=O)[n-]c(OC[C@@H]3CC[C@@]4(CCCCO4)O3)c12 ZINC001234514504 1313142743 /nfs/dbraw/zinc/14/27/43/1313142743.db2.gz XAFOJDHFSKWVCK-SCLBCKFNSA-N 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CC(C)(C)OC(=O)NC(C)(C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375780 1310266061 /nfs/dbraw/zinc/26/60/61/1310266061.db2.gz MYFJAYNMVKUZLM-UHFFFAOYSA-N -1 3 326.368 2.847 20 30 EFEDHM O=C(c1cccc(N2CCCC2=O)c1)N([O-])Cc1ccc(F)cc1 ZINC000901376285 1310267401 /nfs/dbraw/zinc/26/74/01/1310267401.db2.gz SKTIRLSDAMWRKA-UHFFFAOYSA-N -1 3 328.343 2.984 20 30 EFEDHM Cc1nn(C)c2nc(C)cc(C(=O)N([O-])Cc3ccc(F)cc3)c12 ZINC000901376713 1310267549 /nfs/dbraw/zinc/26/75/49/1310267549.db2.gz YXOQHKGBEJKSNH-UHFFFAOYSA-N -1 3 328.347 2.756 20 30 EFEDHM C=CCn1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nn1 ZINC000901379305 1310275911 /nfs/dbraw/zinc/27/59/11/1310275911.db2.gz ZHCQLDCGWXEGDM-UHFFFAOYSA-N -1 3 327.171 2.803 20 30 EFEDHM COc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c(OC)c1OC ZINC000901379452 1310277663 /nfs/dbraw/zinc/27/76/63/1310277663.db2.gz ZURALVDZHCFFKS-UHFFFAOYSA-N -1 3 335.331 2.883 20 30 EFEDHM N#Cc1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1Cl ZINC000801524841 1310464495 /nfs/dbraw/zinc/46/44/95/1310464495.db2.gz 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CO[C@H](CS(=O)(=O)[N-]c1[nH]c2ccccc2c1C#N)C1CCCC1 ZINC000903179033 1312434898 /nfs/dbraw/zinc/43/48/98/1312434898.db2.gz LFEFTFODVWXALD-MRXNPFEDSA-N -1 3 347.440 2.986 20 30 EFEDHM N#Cc1c(Cl)nc2cccc(F)c2c1NCCCc1c[n-][nH]c1=O ZINC001164373931 1312502858 /nfs/dbraw/zinc/50/28/58/1312502858.db2.gz FIHXUXHTCUUZBK-SECBINFHSA-N -1 3 345.765 2.823 20 30 EFEDHM C=CCOC(=O)N1CCN(Cc2ccc([O-])c(C(F)(F)F)c2)CC1 ZINC001231525946 1312518709 /nfs/dbraw/zinc/51/87/09/1312518709.db2.gz JJVOJAJYWJFFJJ-UHFFFAOYSA-N -1 3 344.333 2.851 20 30 EFEDHM C#Cc1nc(Br)cnc1Nc1cc(F)c([O-])cc1F ZINC001215570467 1314852206 /nfs/dbraw/zinc/85/22/06/1314852206.db2.gz HIEATSXMLGCHRM-UHFFFAOYSA-N -1 3 326.100 2.948 20 30 EFEDHM N#Cc1ccc(-c2noc([C@@H](N)Cc3ccc([O-])c(Cl)c3)n2)nc1 ZINC001248250653 1314912655 /nfs/dbraw/zinc/91/26/55/1314912655.db2.gz VTMTYXAMJGOJEM-LBPRGKRZSA-N -1 3 341.758 2.605 20 30 EFEDHM N#Cc1ccc(F)c(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC001216117607 1314915047 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N=C(c1ccccc1N)N([O-])C(=O)[C@@H](N)Cc1cccc2ccccc21 ZINC001218968530 1315265452 /nfs/dbraw/zinc/26/54/52/1315265452.db2.gz MPHXBKDVGRQXQJ-SFHVURJKSA-N -1 3 348.406 2.535 20 30 EFEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1ccc(F)cc1 ZINC001251030719 1315312486 /nfs/dbraw/zinc/31/24/86/1315312486.db2.gz NIFCPOSNVXIWRC-HNNXBMFYSA-N -1 3 341.367 2.917 20 30 EFEDHM Cc1nc[n-]c(=O)c1CCC(=O)Nc1cccc(OCCCC#N)c1 ZINC001251162461 1315326670 /nfs/dbraw/zinc/32/66/70/1315326670.db2.gz VDKPMCVXWUGDST-UHFFFAOYSA-N -1 3 340.383 2.745 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1c(C)nc2sccn21 ZINC001251257338 1315336047 /nfs/dbraw/zinc/33/60/47/1315336047.db2.gz OERPVXCRDKGHAM-UHFFFAOYSA-N -1 3 348.453 2.548 20 30 EFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1cccnc1C ZINC001251619163 1315360220 /nfs/dbraw/zinc/36/02/20/1315360220.db2.gz AQNYEYDMXPMJMO-UHFFFAOYSA-N -1 3 340.408 2.744 20 30 EFEDHM C=CCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001056238060 1315611767 /nfs/dbraw/zinc/61/17/67/1315611767.db2.gz RGPPSERESCWFQN-HZPDHXFCSA-N -1 3 328.412 2.564 20 30 EFEDHM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001254991924 1315769125 /nfs/dbraw/zinc/76/91/25/1315769125.db2.gz OGEAMPZKMNSMRL-XQRVVYSFSA-N -1 3 345.701 2.793 20 30 EFEDHM C=CCN1CCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001257785565 1316092955 /nfs/dbraw/zinc/09/29/55/1316092955.db2.gz JCTLWUFRARQIOI-NSHDSACASA-N -1 3 349.283 2.922 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)cc1 ZINC001258135584 1316123682 /nfs/dbraw/zinc/12/36/82/1316123682.db2.gz BRXOGTVKUPXVHL-UHFFFAOYSA-N -1 3 337.282 2.648 20 30 EFEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-][C@@H](C#N)c1ccccc1)C(=O)C2 ZINC001258966279 1316197866 /nfs/dbraw/zinc/19/78/66/1316197866.db2.gz AXMKISZFHQQWDI-MPGHIAIKSA-N -1 3 346.452 2.566 20 30 EFEDHM C#Cc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC001259043634 1316201946 /nfs/dbraw/zinc/20/19/46/1316201946.db2.gz TXGBJCIOSKERNE-UHFFFAOYSA-N -1 3 325.311 2.564 20 30 EFEDHM N#Cc1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cs1 ZINC001259044599 1316201987 /nfs/dbraw/zinc/20/19/87/1316201987.db2.gz RBGXAUWKEXOMRU-UHFFFAOYSA-N -1 3 332.328 2.516 20 30 EFEDHM N#Cc1cc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)ccc1F ZINC001259081606 1316205774 /nfs/dbraw/zinc/20/57/74/1316205774.db2.gz GKFCCZYLZJNADB-UHFFFAOYSA-N -1 3 344.289 2.593 20 30 EFEDHM N#Cc1csc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC001259083575 1316206588 /nfs/dbraw/zinc/20/65/88/1316206588.db2.gz NBVROWGHZRVQPJ-UHFFFAOYSA-N -1 3 332.328 2.516 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(Cl)[nH]ccc2=O)c(Cl)c1 ZINC001259107702 1316210674 /nfs/dbraw/zinc/21/06/74/1316210674.db2.gz MOKAKRWYBYCSGZ-UHFFFAOYSA-N -1 3 344.179 2.766 20 30 EFEDHM N#CCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1F ZINC001259357859 1316232720 /nfs/dbraw/zinc/23/27/20/1316232720.db2.gz VYLIOURVCVUNLG-UHFFFAOYSA-N -1 3 332.356 2.627 20 30 EFEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1F ZINC001259369250 1316233925 /nfs/dbraw/zinc/23/39/25/1316233925.db2.gz SSHYUIKMOUYPNN-UHFFFAOYSA-N -1 3 342.355 2.684 20 30 EFEDHM COc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259412643 1316239260 /nfs/dbraw/zinc/23/92/60/1316239260.db2.gz NYZDFLPCSIICNL-UHFFFAOYSA-N -1 3 341.751 2.555 20 30 EFEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1F ZINC001259417365 1316239717 /nfs/dbraw/zinc/23/97/17/1316239717.db2.gz QDMPFKKEFCHQFQ-UHFFFAOYSA-N -1 3 337.282 2.648 20 30 EFEDHM N#CC12CCC([N-]S(=O)(=O)c3cc(F)c(F)c(F)c3)(CC1)CC2 ZINC001259503974 1316252852 /nfs/dbraw/zinc/25/28/52/1316252852.db2.gz ZORHEYVJLLRWMU-UHFFFAOYSA-N -1 3 344.358 2.999 20 30 EFEDHM N#Cc1csc(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC001259505565 1316253066 /nfs/dbraw/zinc/25/30/66/1316253066.db2.gz QQXKVDWVYDQNTM-UHFFFAOYSA-N -1 3 332.328 2.516 20 30 EFEDHM N#Cc1cc(F)c([N-]S(=O)(=O)CCc2ccc(F)cc2)cc1F ZINC001259760123 1316274073 /nfs/dbraw/zinc/27/40/73/1316274073.db2.gz KAXSIXLPKRZNIQ-UHFFFAOYSA-N -1 3 340.326 2.960 20 30 EFEDHM COCCS(=O)(=O)[N-]c1cc(C(F)(F)F)c(C#N)cc1Cl ZINC001259972864 1316303252 /nfs/dbraw/zinc/30/32/52/1316303252.db2.gz DIEVSMOCRYDNMC-UHFFFAOYSA-N -1 3 342.726 2.619 20 30 EFEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2ccccc2C)ccc1C#N ZINC001260023346 1316308000 /nfs/dbraw/zinc/30/80/00/1316308000.db2.gz CIDMXTDUETZLOR-UHFFFAOYSA-N -1 3 344.392 2.595 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2nc(Cl)cnc2Cl)cc1 ZINC001260038541 1316310185 /nfs/dbraw/zinc/31/01/85/1316310185.db2.gz LSJGMTMNLBPDMC-UHFFFAOYSA-N -1 3 343.195 2.597 20 30 EFEDHM O=C1C=C([N-]S(=O)(=O)c2ccc(-c3ccccn3)s2)CCC1 ZINC001260535499 1316344364 /nfs/dbraw/zinc/34/43/64/1316344364.db2.gz FFJOGBLMRBPMQS-UHFFFAOYSA-N -1 3 334.422 2.725 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C#N)c2)cc1C ZINC001260637506 1316351526 /nfs/dbraw/zinc/35/15/26/1316351526.db2.gz DUSSTZLJUOIWKE-UHFFFAOYSA-N -1 3 332.381 2.685 20 30 EFEDHM Cn1cc(N2CC[C@H](/N=C/c3cc(Br)ccc3[O-])C2)cn1 ZINC001318566482 1328640088 /nfs/dbraw/zinc/64/00/88/1328640088.db2.gz KWBRYGBBEAFNJR-SRYMZENNSA-N -1 3 349.232 2.586 20 30 EFEDHM O=S(=O)([N-]CCCCCCS)c1ccc(Cl)c2nonc21 ZINC001261075369 1316388234 /nfs/dbraw/zinc/38/82/34/1316388234.db2.gz WBMKCNMTWADULE-UHFFFAOYSA-N -1 3 349.865 2.645 20 30 EFEDHM C=CCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001073728142 1316469105 /nfs/dbraw/zinc/46/91/05/1316469105.db2.gz NRKLGCFNCJBUSY-HOCLYGCPSA-N -1 3 330.428 2.715 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(C)C ZINC000384462518 1316572571 /nfs/dbraw/zinc/57/25/71/1316572571.db2.gz FZKSDOFXSVLNMX-NSHDSACASA-N -1 3 334.210 2.524 20 30 EFEDHM CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001279284736 1317225631 /nfs/dbraw/zinc/22/56/31/1317225631.db2.gz FYVGKYFAYBJQQU-KDURUIRLSA-N -1 3 347.418 2.849 20 30 EFEDHM N#CCOc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC001319026790 1328766364 /nfs/dbraw/zinc/76/63/64/1328766364.db2.gz HIOXDZYXNGOUPR-UHFFFAOYSA-N -1 3 339.376 2.938 20 30 EFEDHM COc1cccc2cc(C[N-]S(=O)(=O)c3ccc(C#N)s3)oc21 ZINC001321592361 1329397804 /nfs/dbraw/zinc/39/78/04/1329397804.db2.gz SPUUVNNWEFYXMK-UHFFFAOYSA-N -1 3 348.405 2.853 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)CCc1c(C)nc[n-]c1=O ZINC001318028575 1328478517 /nfs/dbraw/zinc/47/85/17/1328478517.db2.gz YVRGQHSYYHJMRV-UHFFFAOYSA-N -1 3 325.412 2.681 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc([C@H](C)CC)o2)ccc1F ZINC001322310376 1329445789 /nfs/dbraw/zinc/44/57/89/1329445789.db2.gz ALQGVCQKOWKITC-SNVBAGLBSA-N -1 3 339.392 2.854 20 30 EFEDHM COc1ccc(C=NNCC2CCOCC2)c(Br)c1[O-] ZINC001323889970 1329583464 /nfs/dbraw/zinc/58/34/64/1329583464.db2.gz VFEHPUQFGRWIEM-UHFFFAOYSA-N -1 3 343.221 2.513 20 30 EFEDHM C=CCCn1cc(CNC[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])nn1 ZINC001327066259 1330408336 /nfs/dbraw/zinc/40/83/36/1330408336.db2.gz KPGUFEDGQWIENB-CQSZACIVSA-N -1 3 348.834 2.541 20 30 EFEDHM C=CCO[C@@H]1CCN(c2c(C(=O)[O-])cnc3ccc(OC)cc32)C1 ZINC001327205673 1330442050 /nfs/dbraw/zinc/44/20/50/1330442050.db2.gz HPAMYKBVHIKSAL-CYBMUJFWSA-N -1 3 328.368 2.723 20 30 EFEDHM C=CC[C@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC001331950162 1330895816 /nfs/dbraw/zinc/89/58/16/1330895816.db2.gz KDSDVUYTKQVIOC-LBPRGKRZSA-N -1 3 332.381 2.658 20 30 EFEDHM CCCN1c2ccc(C)cc2C(=N[N-]c2nncc(N)c2Cl)C1=O ZINC001332320762 1330957344 /nfs/dbraw/zinc/95/73/44/1330957344.db2.gz YDAZBDOFMNYZRU-UHFFFAOYSA-N -1 3 344.806 2.593 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(CCC(C)C)C1CC1 ZINC001338833721 1331743980 /nfs/dbraw/zinc/74/39/80/1331743980.db2.gz DDIMXJICJXOUED-UHFFFAOYSA-N -1 3 328.420 2.642 20 30 EFEDHM C=CCN(CC1CCCCC1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C ZINC001339577098 1331903709 /nfs/dbraw/zinc/90/37/09/1331903709.db2.gz AROXDPQWASUMKD-UHFFFAOYSA-N -1 3 342.447 2.859 20 30 EFEDHM Cc1cc2cc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)ccc2[nH]1 ZINC001340981599 1332224762 /nfs/dbraw/zinc/22/47/62/1332224762.db2.gz PNMBVYDRZHACNB-UHFFFAOYSA-N -1 3 325.393 2.715 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC)CCC1CC1 ZINC001341738683 1332280910 /nfs/dbraw/zinc/28/09/10/1332280910.db2.gz CKUHWOCUQQKYKM-UHFFFAOYSA-N -1 3 342.447 2.952 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)nc2)c1 ZINC001343468358 1332349089 /nfs/dbraw/zinc/34/90/89/1332349089.db2.gz AINDSGCCIJLBKE-CYBMUJFWSA-N -1 3 329.743 2.705 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](C)C[C@@H](C)C1 ZINC001343580987 1332359658 /nfs/dbraw/zinc/35/96/58/1332359658.db2.gz KWHOURJGCIGHCN-ZIAGYGMSSA-N -1 3 342.447 2.889 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H]2CCCC[C@@H]2C1 ZINC001343642943 1332365517 /nfs/dbraw/zinc/36/55/17/1332365517.db2.gz ZJOBVXBDODTUHK-BETUJISGSA-N -1 3 329.404 2.841 20 30 EFEDHM C#CC[C@@H](C)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001344645587 1332469526 /nfs/dbraw/zinc/46/95/26/1332469526.db2.gz XQHNZDWUYLPILM-SECBINFHSA-N -1 3 349.330 2.646 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(OC)c(Br)n1 ZINC001344864951 1332488939 /nfs/dbraw/zinc/48/89/39/1332488939.db2.gz WMFQEFSWEAIRFP-VIFPVBQESA-N -1 3 349.188 2.559 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H](C)c1ccco1 ZINC001346354841 1332628534 /nfs/dbraw/zinc/62/85/34/1332628534.db2.gz GTSDNEPPCOVNES-GFCCVEGCSA-N -1 3 340.387 2.807 20 30 EFEDHM C=C1CCN(c2nnc(-c3c[n-]oc3=O)n2Cc2cccs2)CC1 ZINC001348460444 1332839157 /nfs/dbraw/zinc/83/91/57/1332839157.db2.gz HENCDBMJTUGMHT-UHFFFAOYSA-N -1 3 343.412 2.905 20 30 EFEDHM C=CCCCCCN(C)c1nnc(-c2cnc[n-]c2=O)n1CC=C ZINC001351723197 1333275392 /nfs/dbraw/zinc/27/53/92/1333275392.db2.gz ORIUTCZCGYTLKE-UHFFFAOYSA-N -1 3 328.420 2.809 20 30 EFEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1nc2ncccn2n1 ZINC001353185248 1333993942 /nfs/dbraw/zinc/99/39/42/1333993942.db2.gz OGSAGTYHXNUQBS-LLVKDONJSA-N -1 3 338.396 2.628 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cn(C(C)C)nc1C ZINC000847624617 1334023310 /nfs/dbraw/zinc/02/33/10/1334023310.db2.gz UYMSTAHBMNFDBX-ZDUSSCGKSA-N -1 3 340.383 2.742 20 30 EFEDHM CC(C)(CC(=O)N[C@H]1CCCN([O-])C1=O)Cc1ccc(Cl)cc1 ZINC000848133543 1334346471 /nfs/dbraw/zinc/34/64/71/1334346471.db2.gz ARVRUPUKDKVFDS-AWEZNQCLSA-N -1 3 338.835 2.795 20 30 EFEDHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@@H]2CCCN([O-])C2=O)C1 ZINC000848134767 1334346872 /nfs/dbraw/zinc/34/68/72/1334346872.db2.gz DNLOJRCHVQTUDJ-OWCLPIDISA-N -1 3 340.464 2.639 20 30 EFEDHM Cc1nc(C2CCCCC2)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848136034 1334348462 /nfs/dbraw/zinc/34/84/62/1334348462.db2.gz RSWHNCVQDHRXKZ-LBPRGKRZSA-N -1 3 337.445 2.609 20 30 EFEDHM CCCCCCOc1ccc(CC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848138043 1334349766 /nfs/dbraw/zinc/34/97/66/1334349766.db2.gz JAIVPRJAYSSDPM-QGZVFWFLSA-N -1 3 348.443 2.685 20 30 EFEDHM N#Cc1cc(NCc2ccc([O-])c(F)c2)ccc1N1CCC(O)CC1 ZINC001355234494 1334722170 /nfs/dbraw/zinc/72/21/70/1334722170.db2.gz XNARHVQMSOWKPU-UHFFFAOYSA-N -1 3 341.386 2.976 20 30 EFEDHM CCCCOC(=O)C(C)(C)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000848506855 1334763953 /nfs/dbraw/zinc/76/39/53/1334763953.db2.gz ZUUATHKWNHMIJO-UHFFFAOYSA-N -1 3 344.477 2.502 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCCO[C@H](C)C3)n2C)c1[O-] ZINC001355742573 1334861905 /nfs/dbraw/zinc/86/19/05/1334861905.db2.gz BEMYDSCTOODZRB-CQSZACIVSA-N -1 3 342.443 2.922 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCOCC3)n2CC)c1[O-] ZINC001356583604 1335057216 /nfs/dbraw/zinc/05/72/16/1335057216.db2.gz XTLHUYWNBXJWNA-UHFFFAOYSA-N -1 3 328.416 2.626 20 30 EFEDHM C=CCN(c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC(C)C)C1CC1 ZINC001358105049 1335360794 /nfs/dbraw/zinc/36/07/94/1335360794.db2.gz OARWOYKYELMZCB-UHFFFAOYSA-N -1 3 328.420 2.560 20 30 EFEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCC#N)c1)C1CCCC1 ZINC000849304059 1335590747 /nfs/dbraw/zinc/59/07/47/1335590747.db2.gz MQQVVXLSADCEGG-INIZCTEOSA-N -1 3 338.429 2.536 20 30 EFEDHM Cc1[nH]c(C#N)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC001362260422 1336577760 /nfs/dbraw/zinc/57/77/60/1336577760.db2.gz KHJPBALZSPQHPI-UHFFFAOYSA-N -1 3 334.173 2.593 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)[n-]n1 ZINC001418160462 1373706029 /nfs/dbraw/zinc/70/60/29/1373706029.db2.gz FKCZDNWPSHJVJF-UHFFFAOYSA-N -1 3 348.309 2.767 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)n[n-]1 ZINC001418160462 1373706033 /nfs/dbraw/zinc/70/60/33/1373706033.db2.gz FKCZDNWPSHJVJF-UHFFFAOYSA-N -1 3 348.309 2.767 20 30 EFEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001470789859 1397122032 /nfs/dbraw/zinc/12/20/32/1397122032.db2.gz VZPFTBXZSSCEOR-CQSZACIVSA-N -1 3 332.367 2.578 20 30 EFEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001470789859 1397122037 /nfs/dbraw/zinc/12/20/37/1397122037.db2.gz VZPFTBXZSSCEOR-CQSZACIVSA-N -1 3 332.367 2.578 20 30 EFEDHM C#CCOc1ccccc1CN[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823861936 1426507849 /nfs/dbraw/zinc/50/78/49/1426507849.db2.gz UEQOBTOXNJHRPH-AWEZNQCLSA-N -1 3 333.395 2.730 20 30 EFEDHM C#CCOc1ccccc1CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823861936 1426507856 /nfs/dbraw/zinc/50/78/56/1426507856.db2.gz UEQOBTOXNJHRPH-AWEZNQCLSA-N -1 3 333.395 2.730 20 30 EFEDHM CC(=NNc1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450905 1443079688 /nfs/dbraw/zinc/07/96/88/1443079688.db2.gz JKDYYLFNBDPFFB-UHFFFAOYSA-N -1 3 330.355 2.646 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccnc(C#N)c1 ZINC000824261100 1449070680 /nfs/dbraw/zinc/07/06/80/1449070680.db2.gz AEESRJIJEFVLRZ-UHFFFAOYSA-N -1 3 347.426 2.792 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccnc(C#N)c1 ZINC000824261100 1449070683 /nfs/dbraw/zinc/07/06/83/1449070683.db2.gz AEESRJIJEFVLRZ-UHFFFAOYSA-N -1 3 347.426 2.792 20 30 EFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000023346331 712903603 /nfs/dbraw/zinc/90/36/03/712903603.db2.gz WFKFGJXZZWQWCJ-QLJPJBMISA-N -1 3 333.413 2.829 20 30 EFEDHM C[C@@H](NC(=O)c1ccccc1[O-])C1CN(Cc2ccc(C#N)cc2)C1 ZINC000969314453 713033077 /nfs/dbraw/zinc/03/30/77/713033077.db2.gz XEBUHFKQMCEBBN-CQSZACIVSA-N -1 3 335.407 2.514 20 30 EFEDHM CCS(=O)(=O)[N-]c1ccc(N=Cc2ccccc2O)cc1OC ZINC000254993822 713226922 /nfs/dbraw/zinc/22/69/22/713226922.db2.gz QCRDOUVBHYFWAZ-UHFFFAOYSA-N -1 3 334.397 2.913 20 30 EFEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nnc2n1CCCCC2 ZINC000255212958 714281069 /nfs/dbraw/zinc/28/10/69/714281069.db2.gz XWPJRXHTVVMLKB-SCXUMTSISA-N -1 3 341.802 2.943 20 30 EFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cn(CCC(C)C)nn2)c1 ZINC000158707384 715692836 /nfs/dbraw/zinc/69/28/36/715692836.db2.gz CNIXORSEKNZNFP-HNNXBMFYSA-N -1 3 339.399 2.594 20 30 EFEDHM N#Cc1ccccc1CN1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001023240340 716240622 /nfs/dbraw/zinc/24/06/22/716240622.db2.gz IGQXDADAZHHKLT-MRXNPFEDSA-N -1 3 349.434 2.906 20 30 EFEDHM C=CCN(CC(=O)OCC)Cc1cc(Br)ccc1[O-] ZINC000091773218 716328619 /nfs/dbraw/zinc/32/86/19/716328619.db2.gz HUJGURWDFZBOPK-UHFFFAOYSA-N -1 3 328.206 2.706 20 30 EFEDHM CC1(C)CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000972815448 717356781 /nfs/dbraw/zinc/35/67/81/717356781.db2.gz SVNYOSSNZOZKEK-LJQANCHMSA-N -1 3 349.434 2.904 20 30 EFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C/c1ccccc1C#N ZINC000024893183 717554073 /nfs/dbraw/zinc/55/40/73/717554073.db2.gz MDIVNRPWIKFYRL-ZHACJKMWSA-N -1 3 341.392 2.582 20 30 EFEDHM N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000980730588 717653223 /nfs/dbraw/zinc/65/32/23/717653223.db2.gz ISLOOHMQRRIZFF-UHFFFAOYSA-N -1 3 341.436 2.673 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(C)n2)c1 ZINC000177597852 718119650 /nfs/dbraw/zinc/11/96/50/718119650.db2.gz TVZSORKUWAEWMN-AWEZNQCLSA-N -1 3 340.383 2.513 20 30 EFEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)c1 ZINC000177597778 718119756 /nfs/dbraw/zinc/11/97/56/718119756.db2.gz SNKOSJKSMJKUSS-CYBMUJFWSA-N -1 3 330.365 2.726 20 30 EFEDHM C=C1CCC(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC000936688106 718485389 /nfs/dbraw/zinc/48/53/89/718485389.db2.gz VEFFPHSAQKURGV-MRXNPFEDSA-N -1 3 342.439 2.812 20 30 EFEDHM O=C1CN(N=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)[N-]1 ZINC000256007466 718509184 /nfs/dbraw/zinc/50/91/84/718509184.db2.gz VRYHPJFTKIBSCP-UHFFFAOYSA-N -1 3 337.257 2.851 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(C)C ZINC000798472039 724579709 /nfs/dbraw/zinc/57/97/09/724579709.db2.gz IUAMPRCPBFORBX-SNVBAGLBSA-N -1 3 334.210 2.524 20 30 EFEDHM C=C(Cl)CN1C[C@]2(C)CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC000982214427 719671642 /nfs/dbraw/zinc/67/16/42/719671642.db2.gz KUONLPYXUGSHSQ-HDICACEKSA-N -1 3 334.847 2.929 20 30 EFEDHM N#C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2OC1)C1CCCCC1 ZINC000191549018 720758506 /nfs/dbraw/zinc/75/85/06/720758506.db2.gz SLAYHWMUFHBMPL-INIZCTEOSA-N -1 3 332.425 2.812 20 30 EFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1csc([C@H]2CCCO2)n1 ZINC000330166005 720832793 /nfs/dbraw/zinc/83/27/93/720832793.db2.gz XOPJKCAJTQMLNP-SSDOTTSWSA-N -1 3 347.322 2.636 20 30 EFEDHM CC(=O)N1CCC(/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000017309419 722635063 /nfs/dbraw/zinc/63/50/63/722635063.db2.gz FWMJPPBTVRVGSD-CXUHLZMHSA-N -1 3 325.206 2.585 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N/CCc1nnc2ccccn21 ZINC000017309530 722635069 /nfs/dbraw/zinc/63/50/69/722635069.db2.gz GFOXPOOZPRYXNQ-LICLKQGHSA-N -1 3 345.200 2.859 20 30 EFEDHM N#Cc1nc(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)sc1Cl ZINC001059153178 722659104 /nfs/dbraw/zinc/65/91/04/722659104.db2.gz HIROMPMMCGUDMI-KYZUINATSA-N -1 3 348.815 2.747 20 30 EFEDHM C#CCCCCC(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059187910 722866776 /nfs/dbraw/zinc/86/67/76/722866776.db2.gz MPLORKXMJYMYFP-MRXNPFEDSA-N -1 3 342.439 2.554 20 30 EFEDHM C=CCC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059195495 722886060 /nfs/dbraw/zinc/88/60/60/722886060.db2.gz DTPMRWZUBKCQHC-OAHLLOKOSA-N -1 3 344.455 2.963 20 30 EFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@]1(C#N)CCSC1 ZINC000154493293 728776886 /nfs/dbraw/zinc/77/68/86/728776886.db2.gz ULVUHHKBEUJJCB-AWEZNQCLSA-N -1 3 326.368 2.693 20 30 EFEDHM Cc1cccc(C)c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000127010785 723089186 /nfs/dbraw/zinc/08/91/86/723089186.db2.gz RWDOOSMDKPNVPJ-UHFFFAOYSA-N -1 3 345.380 2.562 20 30 EFEDHM C=C1CC(C)(C(=O)N(C)[C@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000983911869 723220038 /nfs/dbraw/zinc/22/00/38/723220038.db2.gz IVRUMWNAFMWZJI-HNNXBMFYSA-N -1 3 342.439 2.812 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCc2cc(C(F)(F)F)ccn2)c1[O-] ZINC000840704408 723431933 /nfs/dbraw/zinc/43/19/33/723431933.db2.gz ABCLWLAYMZEQGB-DNTJNYDQSA-N -1 3 339.317 2.663 20 30 EFEDHM O=C1[C@H](NCc2cc(Cl)ccc2Br)CCCN1[O-] ZINC000895164438 723503565 /nfs/dbraw/zinc/50/35/65/723503565.db2.gz GJYZSCBDOWFOLB-LLVKDONJSA-N -1 3 333.613 2.572 20 30 EFEDHM CO[C@@H]1COCC[C@H]1C/N=C\c1cc(Br)ccc1[O-] ZINC000840705005 723513365 /nfs/dbraw/zinc/51/33/65/723513365.db2.gz BJKLZBBICNXESE-SCDYTWBZSA-N -1 3 328.206 2.625 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)c1 ZINC000127057372 723589551 /nfs/dbraw/zinc/58/95/51/723589551.db2.gz YOBBMOOBBUCQBA-ZDUSSCGKSA-N -1 3 329.381 2.730 20 30 EFEDHM COc1cc(F)cc(C[C@@H](C)/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000840708463 723849357 /nfs/dbraw/zinc/84/93/57/723849357.db2.gz BMDYDAMQIFZBDN-ISZXUTBVSA-N -1 3 332.375 2.786 20 30 EFEDHM COc1cc(C=NNc2cnc3ccccc3n2)c([N+](=O)[O-])cc1[O-] ZINC000727256236 723875568 /nfs/dbraw/zinc/87/55/68/723875568.db2.gz NFDWOYAZNNQNNN-UHFFFAOYSA-N -1 3 339.311 2.698 20 30 EFEDHM O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])C[C@@H]2CCCCN12 ZINC000840709980 723897156 /nfs/dbraw/zinc/89/71/56/723897156.db2.gz NFKYAUNVYQYIKB-YDCWUURFSA-N -1 3 337.217 2.727 20 30 EFEDHM CC(C)(CC/N=C\c1cc(Br)ccc1[O-])S(C)(=O)=O ZINC000840714379 724056057 /nfs/dbraw/zinc/05/60/57/724056057.db2.gz ZRNHUTCVDRQLDJ-DHDCSXOGSA-N -1 3 348.262 2.787 20 30 EFEDHM Cc1ncc(CO)c(C=NNc2ccc([N+](=O)[O-])cc2Cl)c1[O-] ZINC000727649247 724290682 /nfs/dbraw/zinc/29/06/82/724290682.db2.gz CQZUOWMNHRDVRS-UHFFFAOYSA-N -1 3 336.735 2.596 20 30 EFEDHM Cc1cc(C(=O)NC(C)C)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000918712547 728914519 /nfs/dbraw/zinc/91/45/19/728914519.db2.gz BDBPPCARNACTAW-UHFFFAOYSA-N -1 3 341.411 2.785 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1OC ZINC000130057999 725477318 /nfs/dbraw/zinc/47/73/18/725477318.db2.gz XCDCJIDJKOWNQQ-ZDUSSCGKSA-N -1 3 328.324 2.566 20 30 EFEDHM C=C1CCC(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001059805781 725734214 /nfs/dbraw/zinc/73/42/14/725734214.db2.gz SVJBFIOIJKJUKJ-BETUJISGSA-N -1 3 346.387 2.501 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(F)c1 ZINC000151609980 725789506 /nfs/dbraw/zinc/78/95/06/725789506.db2.gz GDUUDLDVCBGBDG-ZDUSSCGKSA-N -1 3 327.315 2.581 20 30 EFEDHM COc1cc(C=NOC[C@@H]2CCOC2)cc(Br)c1[O-] ZINC000788035271 726863605 /nfs/dbraw/zinc/86/36/05/726863605.db2.gz ZAAOJKCURKHGDT-SECBINFHSA-N -1 3 330.178 2.550 20 30 EFEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1 ZINC000731768459 726931687 /nfs/dbraw/zinc/93/16/87/726931687.db2.gz KPFMZFNNLXJEEK-MRXNPFEDSA-N -1 3 345.362 2.537 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-]Cc2nc3ccccc3o2)CCCCC1 ZINC000915773217 727135030 /nfs/dbraw/zinc/13/50/30/727135030.db2.gz ZDXHHJROBUZQBN-UHFFFAOYSA-N -1 3 333.413 2.721 20 30 EFEDHM NC(=O)c1ccccc1N1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000732529000 727145113 /nfs/dbraw/zinc/14/51/13/727145113.db2.gz JPVOQEWFNWMIND-YYLUKMIBSA-N -1 3 343.814 2.842 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC000908407891 727180240 /nfs/dbraw/zinc/18/02/40/727180240.db2.gz XTJCFBFGRMLETQ-OBIHZWKSSA-N -1 3 346.280 2.512 20 30 EFEDHM CCCCCCC[C@@]1(C)NC(=O)N(N=C([O-])NCCCC)C1=O ZINC000915876688 727246674 /nfs/dbraw/zinc/24/66/74/727246674.db2.gz GIBZNJPAVICCDF-MRXNPFEDSA-N -1 3 326.441 2.672 20 30 EFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)NCCCC)C1=O ZINC000915876688 727246675 /nfs/dbraw/zinc/24/66/75/727246675.db2.gz GIBZNJPAVICCDF-MRXNPFEDSA-N -1 3 326.441 2.672 20 30 EFEDHM C=CCC[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908751082 727256595 /nfs/dbraw/zinc/25/65/95/727256595.db2.gz ISCRQKKXDJSNTK-IRXDYDNUSA-N -1 3 345.443 2.542 20 30 EFEDHM N#Cc1ccc(NC[C@H]2CCCCN2C(=O)c2ccccc2[O-])nc1 ZINC001060204621 727305251 /nfs/dbraw/zinc/30/52/51/727305251.db2.gz YXHAXCURKGMZHE-OAHLLOKOSA-N -1 3 336.395 2.766 20 30 EFEDHM C#CCN1CCC(C(=O)Nc2cc3ccccc3c(C(=O)[O-])c2)CC1 ZINC000910359923 727433941 /nfs/dbraw/zinc/43/39/41/727433941.db2.gz PCQYBTUUFZCCLS-UHFFFAOYSA-N -1 3 336.391 2.822 20 30 EFEDHM O=C1Nc2cc([O-])ccc2C1=NNC(=S)Nc1cccc(Cl)c1 ZINC000915946701 727641738 /nfs/dbraw/zinc/64/17/38/727641738.db2.gz SGQMVRMEFBWQJJ-UHFFFAOYSA-N -1 3 346.799 2.688 20 30 EFEDHM CCC(=O)Nc1ccc(C)c(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000915978239 727644849 /nfs/dbraw/zinc/64/48/49/727644849.db2.gz DAUKFMMADQVQDV-UHFFFAOYSA-N -1 3 327.384 2.995 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1[O-] ZINC000915981502 727645112 /nfs/dbraw/zinc/64/51/12/727645112.db2.gz DNZIULFQRVFTHQ-LBUZSKGWSA-N -1 3 339.395 2.653 20 30 EFEDHM CCOc1cc(CN=Nc2ncnc3c2cnn3C)cc(Cl)c1[O-] ZINC000915963932 727645687 /nfs/dbraw/zinc/64/56/87/727645687.db2.gz HYDVBTWGNHPYJZ-UHFFFAOYSA-N -1 3 346.778 2.567 20 30 EFEDHM COc1cc(C=NNC(=S)Nc2cccnc2)cc(Cl)c1[O-] ZINC000916298268 727674743 /nfs/dbraw/zinc/67/47/43/727674743.db2.gz IHPXEZIBRZGZBB-UHFFFAOYSA-N -1 3 336.804 2.770 20 30 EFEDHM C=CCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])CC1 ZINC001060686798 727766467 /nfs/dbraw/zinc/76/64/67/727766467.db2.gz LKWNAIBEYFOTGP-SHTZXODSSA-N -1 3 330.428 2.763 20 30 EFEDHM C=CCOC(=O)c1sc2[n-]c(-c3ccccn3)nc(=O)c2c1C ZINC000046703522 728296925 /nfs/dbraw/zinc/29/69/25/728296925.db2.gz ODXMNXFGRTURTI-UHFFFAOYSA-N -1 3 327.365 2.698 20 30 EFEDHM Cc1cccc2c1CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C2 ZINC000171539388 728539098 /nfs/dbraw/zinc/53/90/98/728539098.db2.gz YHVSTRKBXQVRCT-UHFFFAOYSA-N -1 3 349.434 2.689 20 30 EFEDHM COc1ccc2c(c1)CCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920382873 729178277 /nfs/dbraw/zinc/17/82/77/729178277.db2.gz BMOQGMPMITYNID-UHFFFAOYSA-N -1 3 344.436 2.855 20 30 EFEDHM O=C1CN(N=Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C(=O)[N-]1 ZINC000921258995 729281329 /nfs/dbraw/zinc/28/13/29/729281329.db2.gz UDIGCJPXJLNICE-UHFFFAOYSA-N -1 3 331.278 2.643 20 30 EFEDHM C=C(C)CN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000180407771 729736599 /nfs/dbraw/zinc/73/65/99/729736599.db2.gz NIKNHYOBXJWJAX-UHFFFAOYSA-N -1 3 342.436 2.551 20 30 EFEDHM Cc1cccc2[nH]cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c21 ZINC000822331304 946057715 /nfs/dbraw/zinc/05/77/15/946057715.db2.gz CIRLKEGSWWMRSG-UHFFFAOYSA-N -1 3 331.383 2.780 20 30 EFEDHM Cc1cccc2[nH]cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c21 ZINC000822331304 946057730 /nfs/dbraw/zinc/05/77/30/946057730.db2.gz CIRLKEGSWWMRSG-UHFFFAOYSA-N -1 3 331.383 2.780 20 30 EFEDHM Fc1c(Cl)cccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822736348 946166787 /nfs/dbraw/zinc/16/67/87/946166787.db2.gz DKKNUWOVQIWLAU-UHFFFAOYSA-N -1 3 330.754 2.783 20 30 EFEDHM Fc1c(Cl)cccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822736348 946166797 /nfs/dbraw/zinc/16/67/97/946166797.db2.gz DKKNUWOVQIWLAU-UHFFFAOYSA-N -1 3 330.754 2.783 20 30 EFEDHM C=C[C@@H](CC)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823883751 946497529 /nfs/dbraw/zinc/49/75/29/946497529.db2.gz ZPXNGQSDXLZQDD-AWEZNQCLSA-N -1 3 330.388 2.924 20 30 EFEDHM C=C[C@@H](CC)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823883751 946497534 /nfs/dbraw/zinc/49/75/34/946497534.db2.gz ZPXNGQSDXLZQDD-AWEZNQCLSA-N -1 3 330.388 2.924 20 30 EFEDHM C=C[C@H](CC)OC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000823883660 946497781 /nfs/dbraw/zinc/49/77/81/946497781.db2.gz WXLJABVBFBFUHS-CYBMUJFWSA-N -1 3 346.387 2.542 20 30 EFEDHM C=C[C@H](CC)OC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000823883660 946497787 /nfs/dbraw/zinc/49/77/87/946497787.db2.gz WXLJABVBFBFUHS-CYBMUJFWSA-N -1 3 346.387 2.542 20 30 EFEDHM C=CCCOCCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823898952 946509408 /nfs/dbraw/zinc/50/94/08/946509408.db2.gz GMHXZQSLLQZROA-UHFFFAOYSA-N -1 3 347.394 2.732 20 30 EFEDHM C=CCCOCCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823898952 946509410 /nfs/dbraw/zinc/50/94/10/946509410.db2.gz GMHXZQSLLQZROA-UHFFFAOYSA-N -1 3 347.394 2.732 20 30 EFEDHM C#CC[C@@H]1CCCN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001573285014 946764895 /nfs/dbraw/zinc/76/48/95/946764895.db2.gz PZDSRLDPLRMRNA-LLVKDONJSA-N -1 3 346.232 2.869 20 30 EFEDHM C#CC[C@@H]1CCCN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001573285014 946764901 /nfs/dbraw/zinc/76/49/01/946764901.db2.gz PZDSRLDPLRMRNA-LLVKDONJSA-N -1 3 346.232 2.869 20 30 EFEDHM C=C(Br)COc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001573292727 946937496 /nfs/dbraw/zinc/93/74/96/946937496.db2.gz AGQJQZBHFFHFFR-UHFFFAOYSA-N -1 3 338.209 2.847 20 30 EFEDHM C=C(Br)COc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001573292727 946937519 /nfs/dbraw/zinc/93/75/19/946937519.db2.gz AGQJQZBHFFHFFR-UHFFFAOYSA-N -1 3 338.209 2.847 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001573306846 947176931 /nfs/dbraw/zinc/17/69/31/947176931.db2.gz NQIUYKPGCRJETB-UHFFFAOYSA-N -1 3 342.447 2.655 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001573306846 947176938 /nfs/dbraw/zinc/17/69/38/947176938.db2.gz NQIUYKPGCRJETB-UHFFFAOYSA-N -1 3 342.447 2.655 20 30 EFEDHM C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001573319599 947335458 /nfs/dbraw/zinc/33/54/58/947335458.db2.gz PUOCYVJGRVYKTA-LSDHHAIUSA-N -1 3 325.416 2.689 20 30 EFEDHM C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001573319599 947335473 /nfs/dbraw/zinc/33/54/73/947335473.db2.gz PUOCYVJGRVYKTA-LSDHHAIUSA-N -1 3 325.416 2.689 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001573327935 947399407 /nfs/dbraw/zinc/39/94/07/947399407.db2.gz OMCMICYNMPSJNM-UHFFFAOYSA-N -1 3 329.404 2.598 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001573327935 947399418 /nfs/dbraw/zinc/39/94/18/947399418.db2.gz OMCMICYNMPSJNM-UHFFFAOYSA-N -1 3 329.404 2.598 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)C1 ZINC001573330133 947429942 /nfs/dbraw/zinc/42/99/42/947429942.db2.gz URYCFYXYGXPDMV-CQSZACIVSA-N -1 3 340.431 2.673 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)C1 ZINC001573330133 947429951 /nfs/dbraw/zinc/42/99/51/947429951.db2.gz URYCFYXYGXPDMV-CQSZACIVSA-N -1 3 340.431 2.673 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c(C#N)c2n1CCC2 ZINC000826234264 947686702 /nfs/dbraw/zinc/68/67/02/947686702.db2.gz OHLPJARCIBPIHM-CMDGGOBGSA-N -1 3 344.378 2.691 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c(C#N)c2n1CCC2 ZINC000826234264 947686708 /nfs/dbraw/zinc/68/67/08/947686708.db2.gz OHLPJARCIBPIHM-CMDGGOBGSA-N -1 3 344.378 2.691 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1sccc1C#N ZINC001575187925 952445498 /nfs/dbraw/zinc/44/54/98/952445498.db2.gz GCZCAEBBSOOOEL-JTQLQIEISA-N -1 3 338.396 2.617 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1sccc1C#N ZINC001575187925 952445500 /nfs/dbraw/zinc/44/55/00/952445500.db2.gz GCZCAEBBSOOOEL-JTQLQIEISA-N -1 3 338.396 2.617 20 30 EFEDHM N#Cc1ccccc1NC(=O)CCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001594632170 956350916 /nfs/dbraw/zinc/35/09/16/956350916.db2.gz SBRXIZFADSAVIA-QGZVFWFLSA-N -1 3 349.390 2.571 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)nc1 ZINC000903709086 956906617 /nfs/dbraw/zinc/90/66/17/956906617.db2.gz ANLVINIQICJCAE-CYBMUJFWSA-N -1 3 342.424 2.789 20 30 EFEDHM C=CCOc1c(Cl)cc(CN2CCC[C@H]2C(=O)[O-])cc1OC ZINC000901475383 969432965 /nfs/dbraw/zinc/43/29/65/969432965.db2.gz OOXOTCAPTDZJMR-ZDUSSCGKSA-N -1 3 325.792 2.962 20 30 EFEDHM Cc1ccc(N(CCC#N)C(=O)CN(CCC(=O)[O-])C(C)C)cc1C ZINC000832936129 979057895 /nfs/dbraw/zinc/05/78/95/979057895.db2.gz XMMBFJUZBCJBGL-UHFFFAOYSA-N -1 3 345.443 2.735 20 30 EFEDHM C#CCC1(O)CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001588432003 983466912 /nfs/dbraw/zinc/46/69/12/983466912.db2.gz UQVNTTVFFRNFTR-UHFFFAOYSA-N -1 3 339.391 2.995 20 30 EFEDHM C#CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC001588457926 983483003 /nfs/dbraw/zinc/48/30/03/983483003.db2.gz JVONUUKALYATNZ-GOSISDBHSA-N -1 3 325.364 2.710 20 30 EFEDHM C=C[C@@H](Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)C(=O)[O-] ZINC001588701837 983916669 /nfs/dbraw/zinc/91/66/69/983916669.db2.gz AVZIOQWMKCUQTF-QGZVFWFLSA-N -1 3 345.443 2.942 20 30 EFEDHM C=CC[C@H](C(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001588730689 984001159 /nfs/dbraw/zinc/00/11/59/984001159.db2.gz VDWFBHKEWMTBJK-CQSZACIVSA-N -1 3 337.807 2.519 20 30 EFEDHM C=CC[C@@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC001588752300 984080231 /nfs/dbraw/zinc/08/02/31/984080231.db2.gz VKFFUGFZWMYSON-MRXNPFEDSA-N -1 3 331.412 2.861 20 30 EFEDHM C=CCC1([NH2+]Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[n-]2)CCCC1 ZINC001588769285 984132837 /nfs/dbraw/zinc/13/28/37/984132837.db2.gz RHWOTWULXVGDGC-UHFFFAOYSA-N -1 3 347.440 2.970 20 30 EFEDHM C=CCCCCCCCCNC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001588798526 984236441 /nfs/dbraw/zinc/23/64/41/984236441.db2.gz IVOXHGNWHZAEIE-INIZCTEOSA-N -1 3 339.480 2.561 20 30 EFEDHM C=CCN(C)CCN(CC)C(=O)c1[nH]c(C)c(C(=O)[O-])c1CCC ZINC001588822302 984288774 /nfs/dbraw/zinc/28/87/74/984288774.db2.gz FRBZIVVRYUSSNR-UHFFFAOYSA-N -1 3 335.448 2.554 20 30 EFEDHM CC(=O)[C@](C#N)(CCN1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001589021157 985011541 /nfs/dbraw/zinc/01/15/41/985011541.db2.gz MGZHYDUEACUMJE-YLJYHZDGSA-N -1 3 340.423 2.614 20 30 EFEDHM Cc1c(C(=O)[O-])cc(CN=Nc2nc3cc(F)c(F)cc3[nH]2)n1C ZINC001599984552 986211384 /nfs/dbraw/zinc/21/13/84/986211384.db2.gz QAIFKZJUFREYTB-UHFFFAOYSA-N -1 3 333.298 2.632 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNCc2ccc(C(=O)[O-])n2C)c1 ZINC001594724888 987223807 /nfs/dbraw/zinc/22/38/07/987223807.db2.gz FCSYUKJQSOAMMW-HNNXBMFYSA-N -1 3 327.384 2.694 20 30 EFEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)(C)CC(=O)[O-] ZINC001598376005 991564014 /nfs/dbraw/zinc/56/40/14/991564014.db2.gz LEOAFPGDDOJNRB-LLVKDONJSA-N -1 3 345.424 2.658 20 30 EFEDHM CN(CCOCc1ccc(C#N)cc1)Cc1cc(C(=O)[O-])cs1 ZINC001598498293 992393404 /nfs/dbraw/zinc/39/34/04/992393404.db2.gz SMZCZXSMEYISST-UHFFFAOYSA-N -1 3 330.409 2.967 20 30 EFEDHM CN(Cc1ccc(F)cc1C(=O)[O-])C[C@H](O)c1cccc(C#N)c1 ZINC001598518465 992648650 /nfs/dbraw/zinc/64/86/50/992648650.db2.gz FFMRPCGDQYAQQQ-KRWDZBQOSA-N -1 3 328.343 2.561 20 30 EFEDHM CN1CC[C@H](NCc2cccc(C(=O)[O-])c2C#N)[C@@H]1c1ccccc1 ZINC001598588536 993418434 /nfs/dbraw/zinc/41/84/34/993418434.db2.gz ZNGQDIWCOOEFLX-OALUTQOASA-N -1 3 335.407 2.791 20 30 EFEDHM CN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC001598610760 993768963 /nfs/dbraw/zinc/76/89/63/993768963.db2.gz FECORNNZTKHUES-PMACEKPBSA-N -1 3 349.434 2.543 20 30 EFEDHM CN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC001598610781 993769207 /nfs/dbraw/zinc/76/92/07/993769207.db2.gz FECORNNZTKHUES-VQTJNVASSA-N -1 3 349.434 2.543 20 30 EFEDHM COc1cc(CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1C#N ZINC001599415317 997496728 /nfs/dbraw/zinc/49/67/28/997496728.db2.gz OWTDAKVVJDLIAN-ZDUSSCGKSA-N -1 3 340.379 2.709 20 30 EFEDHM COc1ccc([C@H](NCCC2(C#N)CCCCC2)C(=O)[O-])cc1O ZINC001599529876 997631328 /nfs/dbraw/zinc/63/13/28/997631328.db2.gz VFJAXSLLSDHZQP-INIZCTEOSA-N -1 3 332.400 2.980 20 30 EFEDHM COC(=O)c1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001598972287 998540654 /nfs/dbraw/zinc/54/06/54/998540654.db2.gz RUOLOHPMTRGWPE-KRWDZBQOSA-N -1 3 338.363 2.603 20 30 EFEDHM C[C@H](Nc1cccc(C#N)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001575434574 1088468299 /nfs/dbraw/zinc/46/82/99/1088468299.db2.gz BTQLIUSFBYGGGU-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1cccc(C#N)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001575434574 1088468304 /nfs/dbraw/zinc/46/83/04/1088468304.db2.gz BTQLIUSFBYGGGU-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM CCCCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001577506257 1090018716 /nfs/dbraw/zinc/01/87/16/1090018716.db2.gz UKRMRLYXVDLZLJ-UHFFFAOYSA-N -1 3 332.408 2.967 20 30 EFEDHM CCCCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001577506257 1090018728 /nfs/dbraw/zinc/01/87/28/1090018728.db2.gz UKRMRLYXVDLZLJ-UHFFFAOYSA-N -1 3 332.408 2.967 20 30 EFEDHM CN(CC#Cc1ccc(F)cc1)Cc1cc(-c2nnn[n-]2)cs1 ZINC001579004951 1090496562 /nfs/dbraw/zinc/49/65/62/1090496562.db2.gz WXJYWUCWHNCKNW-UHFFFAOYSA-N -1 3 327.388 2.551 20 30 EFEDHM CN(CC#Cc1ccc(F)cc1)Cc1cc(-c2nn[n-]n2)cs1 ZINC001579004951 1090496566 /nfs/dbraw/zinc/49/65/66/1090496566.db2.gz WXJYWUCWHNCKNW-UHFFFAOYSA-N -1 3 327.388 2.551 20 30 EFEDHM COCc1csc(CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001579839837 1090701115 /nfs/dbraw/zinc/70/11/15/1090701115.db2.gz YJFCZUOZMOUCAL-UHFFFAOYSA-N -1 3 326.385 2.558 20 30 EFEDHM COCc1csc(CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001579839837 1090701118 /nfs/dbraw/zinc/70/11/18/1090701118.db2.gz YJFCZUOZMOUCAL-UHFFFAOYSA-N -1 3 326.385 2.558 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC001579882555 1090712740 /nfs/dbraw/zinc/71/27/40/1090712740.db2.gz KQQIAVSYDIRLQT-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC001579882555 1090712748 /nfs/dbraw/zinc/71/27/48/1090712748.db2.gz KQQIAVSYDIRLQT-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1cc(C#N)sc1[N+](=O)[O-] ZINC001579886999 1090715350 /nfs/dbraw/zinc/71/53/50/1090715350.db2.gz CQGIPJZYUHQDJS-UHFFFAOYSA-N -1 3 344.312 2.509 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1cc(C#N)sc1[N+](=O)[O-] ZINC001579886999 1090715353 /nfs/dbraw/zinc/71/53/53/1090715353.db2.gz CQGIPJZYUHQDJS-UHFFFAOYSA-N -1 3 344.312 2.509 20 30 EFEDHM C[C@@H](OC(=O)c1ccc(F)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001580310976 1090858502 /nfs/dbraw/zinc/85/85/02/1090858502.db2.gz ZLZRDLKJVUBHGR-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1ccc(F)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001580310976 1090858509 /nfs/dbraw/zinc/85/85/09/1090858509.db2.gz ZLZRDLKJVUBHGR-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1cccc(C#N)c1 ZINC001580310813 1090858807 /nfs/dbraw/zinc/85/88/07/1090858807.db2.gz PXXWKXUXOJQTSY-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1cccc(C#N)c1 ZINC001580310813 1090858813 /nfs/dbraw/zinc/85/88/13/1090858813.db2.gz PXXWKXUXOJQTSY-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2sccc2C#N)c1-c1nnn[n-]1 ZINC001580523713 1090932397 /nfs/dbraw/zinc/93/23/97/1090932397.db2.gz KOVYXLIYLXZAGM-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2sccc2C#N)c1-c1nn[n-]n1 ZINC001580523713 1090932402 /nfs/dbraw/zinc/93/24/02/1090932402.db2.gz KOVYXLIYLXZAGM-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(-c3nnn[n-]3)s2)c1C#N ZINC001580554444 1090946391 /nfs/dbraw/zinc/94/63/91/1090946391.db2.gz KHVFADDSPKYMLN-UHFFFAOYSA-N -1 3 331.792 2.769 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(C)c1C#N ZINC001580821425 1091020471 /nfs/dbraw/zinc/02/04/71/1091020471.db2.gz ARWAWSWPSPMYHX-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(C)c1C#N ZINC001580821425 1091020478 /nfs/dbraw/zinc/02/04/78/1091020478.db2.gz ARWAWSWPSPMYHX-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM N#Cc1c(F)cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1F ZINC001581860962 1091322015 /nfs/dbraw/zinc/32/20/15/1091322015.db2.gz BDXNKBIHVNAXBC-UHFFFAOYSA-N -1 3 347.716 2.677 20 30 EFEDHM N#Cc1c(F)cc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1F ZINC001581860962 1091322024 /nfs/dbraw/zinc/32/20/24/1091322024.db2.gz BDXNKBIHVNAXBC-UHFFFAOYSA-N -1 3 347.716 2.677 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001581866736 1091323454 /nfs/dbraw/zinc/32/34/54/1091323454.db2.gz SBBPLORIJFKQRA-QAPCUYQASA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001581866736 1091323461 /nfs/dbraw/zinc/32/34/61/1091323461.db2.gz SBBPLORIJFKQRA-QAPCUYQASA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1cc(C(=O)N(c2cccc(-c3nnn[n-]3)c2)C2CCC2)co1 ZINC001581863616 1091323965 /nfs/dbraw/zinc/32/39/65/1091323965.db2.gz YJKZCYBDVNMWDZ-UHFFFAOYSA-N -1 3 334.339 2.531 20 30 EFEDHM N#Cc1cc(C(=O)N(c2cccc(-c3nn[n-]n3)c2)C2CCC2)co1 ZINC001581863616 1091323979 /nfs/dbraw/zinc/32/39/79/1091323979.db2.gz YJKZCYBDVNMWDZ-UHFFFAOYSA-N -1 3 334.339 2.531 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCOc1cccc(F)c1 ZINC001581874139 1091329019 /nfs/dbraw/zinc/32/90/19/1091329019.db2.gz GDICYNCOLISUQS-UHFFFAOYSA-N -1 3 338.346 2.758 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCOc1cccc(F)c1 ZINC001581874139 1091329028 /nfs/dbraw/zinc/32/90/28/1091329028.db2.gz GDICYNCOLISUQS-UHFFFAOYSA-N -1 3 338.346 2.758 20 30 EFEDHM O=C(CC#Cc1ccccc1)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001581955590 1091339453 /nfs/dbraw/zinc/33/94/53/1091339453.db2.gz BARWATOGPSJWTB-UHFFFAOYSA-N -1 3 343.390 2.588 20 30 EFEDHM O=C(CC#Cc1ccccc1)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001581955590 1091339463 /nfs/dbraw/zinc/33/94/63/1091339463.db2.gz BARWATOGPSJWTB-UHFFFAOYSA-N -1 3 343.390 2.588 20 30 EFEDHM O=C(c1ccc(-c2nnn[n-]2)s1)N(O)CCCCc1ccccc1 ZINC001582701570 1091633059 /nfs/dbraw/zinc/63/30/59/1091633059.db2.gz PXQPPMSHFLXTGD-UHFFFAOYSA-N -1 3 343.412 2.783 20 30 EFEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3csc(C(N)=O)c3)on2)c1 ZINC001583805487 1092070552 /nfs/dbraw/zinc/07/05/52/1092070552.db2.gz ZEHXZSGBQWXFNA-UHFFFAOYSA-N -1 3 338.348 2.626 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001584019002 1092098319 /nfs/dbraw/zinc/09/83/19/1092098319.db2.gz YSWLQUSNNXOHJR-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001584019002 1092098331 /nfs/dbraw/zinc/09/83/31/1092098331.db2.gz YSWLQUSNNXOHJR-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM CCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@H](O)c1ccccc1 ZINC001649782845 1092676648 /nfs/dbraw/zinc/67/66/48/1092676648.db2.gz DKUNSCCHERALNP-DOTOQJQBSA-N -1 3 344.436 2.627 20 30 EFEDHM C#C[C@](C)(CC)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588325773 1092922970 /nfs/dbraw/zinc/92/29/70/1092922970.db2.gz VJSHXQIADQMKSR-GOSISDBHSA-N -1 3 337.427 2.597 20 30 EFEDHM C#C[C@](C)(CC)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588325773 1092922985 /nfs/dbraw/zinc/92/29/85/1092922985.db2.gz VJSHXQIADQMKSR-GOSISDBHSA-N -1 3 337.427 2.597 20 30 EFEDHM C#C[C@H](NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588330353 1092924753 /nfs/dbraw/zinc/92/47/53/1092924753.db2.gz ZRSZKMVHAVCMLI-HNNXBMFYSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@H](NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588330353 1092924761 /nfs/dbraw/zinc/92/47/61/1092924761.db2.gz ZRSZKMVHAVCMLI-HNNXBMFYSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@H](NC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588327374 1092924998 /nfs/dbraw/zinc/92/49/98/1092924998.db2.gz HUKYRHLCXYVHDF-KRWDZBQOSA-N -1 3 345.406 2.635 20 30 EFEDHM C#C[C@H](NC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588327374 1092925009 /nfs/dbraw/zinc/92/50/09/1092925009.db2.gz HUKYRHLCXYVHDF-KRWDZBQOSA-N -1 3 345.406 2.635 20 30 EFEDHM C#C[C@H](Nc1nnc(CC)c(CC)c1-c1nnn[n-]1)c1ccccc1 ZINC001588328810 1092926268 /nfs/dbraw/zinc/92/62/68/1092926268.db2.gz RDAACZWDGJRNHC-AWEZNQCLSA-N -1 3 333.399 2.568 20 30 EFEDHM C#C[C@H](Nc1nnc(CC)c(CC)c1-c1nn[n-]n1)c1ccccc1 ZINC001588328810 1092926278 /nfs/dbraw/zinc/92/62/78/1092926278.db2.gz RDAACZWDGJRNHC-AWEZNQCLSA-N -1 3 333.399 2.568 20 30 EFEDHM C#C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1F ZINC001588328906 1092926681 /nfs/dbraw/zinc/92/66/81/1092926681.db2.gz TUUCMXPTFAJNNC-ZDUSSCGKSA-N -1 3 328.738 2.841 20 30 EFEDHM C#C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1F ZINC001588328906 1092926688 /nfs/dbraw/zinc/92/66/88/1092926688.db2.gz TUUCMXPTFAJNNC-ZDUSSCGKSA-N -1 3 328.738 2.841 20 30 EFEDHM C#CCC1(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001588334732 1092927931 /nfs/dbraw/zinc/92/79/31/1092927931.db2.gz IPTXCSJCEUNODK-UHFFFAOYSA-N -1 3 337.427 2.642 20 30 EFEDHM C#CCC1(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001588334732 1092927938 /nfs/dbraw/zinc/92/79/38/1092927938.db2.gz IPTXCSJCEUNODK-UHFFFAOYSA-N -1 3 337.427 2.642 20 30 EFEDHM C#C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC001588333123 1092928223 /nfs/dbraw/zinc/92/82/23/1092928223.db2.gz YPOVGJLJCKGIPX-NSHDSACASA-N -1 3 338.802 2.918 20 30 EFEDHM C#C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC001588333123 1092928230 /nfs/dbraw/zinc/92/82/30/1092928230.db2.gz YPOVGJLJCKGIPX-NSHDSACASA-N -1 3 338.802 2.918 20 30 EFEDHM C#C[C@@H]1CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588332680 1092928475 /nfs/dbraw/zinc/92/84/75/1092928475.db2.gz PIEHAJFHMMMMPR-SNVBAGLBSA-N -1 3 346.847 2.562 20 30 EFEDHM C#C[C@@H]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588332680 1092928490 /nfs/dbraw/zinc/92/84/90/1092928490.db2.gz PIEHAJFHMMMMPR-SNVBAGLBSA-N -1 3 346.847 2.562 20 30 EFEDHM C#CCOc1cc(F)ccc1NCc1csc(-c2nnn[n-]2)c1 ZINC001588363645 1092931529 /nfs/dbraw/zinc/93/15/29/1092931529.db2.gz RWBLPISEIWUGGO-UHFFFAOYSA-N -1 3 329.360 2.691 20 30 EFEDHM C#CCOc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2CC)cc1 ZINC001588361951 1092932075 /nfs/dbraw/zinc/93/20/75/1092932075.db2.gz NHISUTMVPXQEOC-UHFFFAOYSA-N -1 3 348.362 2.660 20 30 EFEDHM C#CCOc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2CC)cc1 ZINC001588361951 1092932082 /nfs/dbraw/zinc/93/20/82/1092932082.db2.gz NHISUTMVPXQEOC-UHFFFAOYSA-N -1 3 348.362 2.660 20 30 EFEDHM C#CCCCNC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588345439 1092932107 /nfs/dbraw/zinc/93/21/07/1092932107.db2.gz GZTPZBZAAXBWJI-UHFFFAOYSA-N -1 3 325.397 2.533 20 30 EFEDHM C#CCCCNC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588345439 1092932118 /nfs/dbraw/zinc/93/21/18/1092932118.db2.gz GZTPZBZAAXBWJI-UHFFFAOYSA-N -1 3 325.397 2.533 20 30 EFEDHM C#CCN(C(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C)C1CC1 ZINC001588349008 1092932728 /nfs/dbraw/zinc/93/27/28/1092932728.db2.gz YFUBCPNQGWUVQW-UHFFFAOYSA-N -1 3 337.408 2.628 20 30 EFEDHM C#CCN(C(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C)C1CC1 ZINC001588349008 1092932735 /nfs/dbraw/zinc/93/27/35/1092932735.db2.gz YFUBCPNQGWUVQW-UHFFFAOYSA-N -1 3 337.408 2.628 20 30 EFEDHM C#Cc1cccc(N(CC)Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001588374882 1092933641 /nfs/dbraw/zinc/93/36/41/1092933641.db2.gz UTTNLPJQHVBFRS-UHFFFAOYSA-N -1 3 348.366 2.783 20 30 EFEDHM C#Cc1cccc(N(CC)Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001588374882 1092933648 /nfs/dbraw/zinc/93/36/48/1092933648.db2.gz UTTNLPJQHVBFRS-UHFFFAOYSA-N -1 3 348.366 2.783 20 30 EFEDHM C#Cc1cccc(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001588374934 1092933668 /nfs/dbraw/zinc/93/36/68/1092933668.db2.gz XATGSPMNHWPTQF-UHFFFAOYSA-N -1 3 338.302 2.507 20 30 EFEDHM C#Cc1cccc(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001588374934 1092933678 /nfs/dbraw/zinc/93/36/78/1092933678.db2.gz XATGSPMNHWPTQF-UHFFFAOYSA-N -1 3 338.302 2.507 20 30 EFEDHM C#Cc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1 ZINC001588374792 1092934253 /nfs/dbraw/zinc/93/42/53/1092934253.db2.gz ODUZAWOILALTPI-UHFFFAOYSA-N -1 3 344.300 2.874 20 30 EFEDHM C#Cc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)c1 ZINC001588374792 1092934264 /nfs/dbraw/zinc/93/42/64/1092934264.db2.gz ODUZAWOILALTPI-UHFFFAOYSA-N -1 3 344.300 2.874 20 30 EFEDHM C#Cc1ccc(NC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001588373850 1092934368 /nfs/dbraw/zinc/93/43/68/1092934368.db2.gz VHOZEKQLLZQQDR-UHFFFAOYSA-N -1 3 347.353 2.657 20 30 EFEDHM C#Cc1ccc(NC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001588373850 1092934375 /nfs/dbraw/zinc/93/43/75/1092934375.db2.gz VHOZEKQLLZQQDR-UHFFFAOYSA-N -1 3 347.353 2.657 20 30 EFEDHM C#Cc1ccc(C(=O)NC(C)(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588365120 1092934927 /nfs/dbraw/zinc/93/49/27/1092934927.db2.gz RYBYXZUKOFVSJG-UHFFFAOYSA-N -1 3 331.379 2.513 20 30 EFEDHM C#Cc1ccc(C(=O)NC(C)(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588365120 1092934929 /nfs/dbraw/zinc/93/49/29/1092934929.db2.gz RYBYXZUKOFVSJG-UHFFFAOYSA-N -1 3 331.379 2.513 20 30 EFEDHM C#Cc1ccc(NC(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)cc1 ZINC001588374969 1092934969 /nfs/dbraw/zinc/93/49/69/1092934969.db2.gz YWPBNGZNLWTCBE-UHFFFAOYSA-N -1 3 328.335 2.582 20 30 EFEDHM C#Cc1ccc(NC(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)cc1 ZINC001588374969 1092934981 /nfs/dbraw/zinc/93/49/81/1092934981.db2.gz YWPBNGZNLWTCBE-UHFFFAOYSA-N -1 3 328.335 2.582 20 30 EFEDHM C#Cc1cccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588375435 1092935722 /nfs/dbraw/zinc/93/57/22/1092935722.db2.gz WMXZWIKFEHKBBD-UHFFFAOYSA-N -1 3 349.419 2.720 20 30 EFEDHM C#Cc1cccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588375435 1092935730 /nfs/dbraw/zinc/93/57/30/1092935730.db2.gz WMXZWIKFEHKBBD-UHFFFAOYSA-N -1 3 349.419 2.720 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)c1 ZINC001588374630 1092935832 /nfs/dbraw/zinc/93/58/32/1092935832.db2.gz FGQSWIXJSGMBSF-UHFFFAOYSA-N -1 3 345.406 2.670 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC001588374630 1092935837 /nfs/dbraw/zinc/93/58/37/1092935837.db2.gz FGQSWIXJSGMBSF-UHFFFAOYSA-N -1 3 345.406 2.670 20 30 EFEDHM C=C(C)[C@H](CC(=O)OCc1ccc(C)c(-c2nnn[n-]2)c1)OCC ZINC001588401151 1092940218 /nfs/dbraw/zinc/94/02/18/1092940218.db2.gz MIQHCDRPOUTOID-HNNXBMFYSA-N -1 3 330.388 2.590 20 30 EFEDHM C=C(C)[C@H](CC(=O)OCc1ccc(C)c(-c2nn[n-]n2)c1)OCC ZINC001588401151 1092940227 /nfs/dbraw/zinc/94/02/27/1092940227.db2.gz MIQHCDRPOUTOID-HNNXBMFYSA-N -1 3 330.388 2.590 20 30 EFEDHM C=C(C)[C@H](Nc1cc(-c2nnn[n-]2)cnn1)c1ccc(F)c(F)c1 ZINC001588401155 1092940817 /nfs/dbraw/zinc/94/08/17/1092940817.db2.gz MKTSDBYPAXVPCY-AWEZNQCLSA-N -1 3 329.314 2.664 20 30 EFEDHM C=C(C)[C@H](Nc1cc(-c2nn[n-]n2)cnn1)c1ccc(F)c(F)c1 ZINC001588401155 1092940824 /nfs/dbraw/zinc/94/08/24/1092940824.db2.gz MKTSDBYPAXVPCY-AWEZNQCLSA-N -1 3 329.314 2.664 20 30 EFEDHM C=C(C)[C@@H](Nc1cc(-c2nnn[n-]2)cnn1)c1ccc(F)c(F)c1 ZINC001588401156 1092941384 /nfs/dbraw/zinc/94/13/84/1092941384.db2.gz MKTSDBYPAXVPCY-CQSZACIVSA-N -1 3 329.314 2.664 20 30 EFEDHM C=C(C)[C@@H](Nc1cc(-c2nn[n-]n2)cnn1)c1ccc(F)c(F)c1 ZINC001588401156 1092941394 /nfs/dbraw/zinc/94/13/94/1092941394.db2.gz MKTSDBYPAXVPCY-CQSZACIVSA-N -1 3 329.314 2.664 20 30 EFEDHM C=C(C)[C@H](CC(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21)OCC ZINC001588403094 1092943302 /nfs/dbraw/zinc/94/33/02/1092943302.db2.gz VAVVNGYVGHJGQM-INIZCTEOSA-N -1 3 341.415 2.517 20 30 EFEDHM C=C(C)[C@H](CC(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21)OCC ZINC001588403094 1092943314 /nfs/dbraw/zinc/94/33/14/1092943314.db2.gz VAVVNGYVGHJGQM-INIZCTEOSA-N -1 3 341.415 2.517 20 30 EFEDHM C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1)OCC ZINC001588402678 1092943332 /nfs/dbraw/zinc/94/33/32/1092943332.db2.gz JNOCRCJWXPSKQO-XJKSGUPXSA-N -1 3 343.431 2.757 20 30 EFEDHM C=C(C)[C@@H](CC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1)OCC ZINC001588402678 1092943340 /nfs/dbraw/zinc/94/33/40/1092943340.db2.gz JNOCRCJWXPSKQO-XJKSGUPXSA-N -1 3 343.431 2.757 20 30 EFEDHM C=C(C)CNC(=S)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588430172 1092944023 /nfs/dbraw/zinc/94/40/23/1092944023.db2.gz NDRCGIVXZJUAMB-UHFFFAOYSA-N -1 3 346.460 2.907 20 30 EFEDHM C=C(C)CNC(=S)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588430172 1092944026 /nfs/dbraw/zinc/94/40/26/1092944026.db2.gz NDRCGIVXZJUAMB-UHFFFAOYSA-N -1 3 346.460 2.907 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588425420 1092944316 /nfs/dbraw/zinc/94/43/16/1092944316.db2.gz DNBGEDWLCXZBJV-NSHDSACASA-N -1 3 349.822 2.712 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588425420 1092944322 /nfs/dbraw/zinc/94/43/22/1092944322.db2.gz DNBGEDWLCXZBJV-NSHDSACASA-N -1 3 349.822 2.712 20 30 EFEDHM C=C(C)CN(CC)C(=O)CSc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588426113 1092944533 /nfs/dbraw/zinc/94/45/33/1092944533.db2.gz MNQBYHNXEPATKP-UHFFFAOYSA-N -1 3 331.445 2.692 20 30 EFEDHM C=C(C)CN(CC)C(=O)CSc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588426113 1092944545 /nfs/dbraw/zinc/94/45/45/1092944545.db2.gz MNQBYHNXEPATKP-UHFFFAOYSA-N -1 3 331.445 2.692 20 30 EFEDHM C=C(C)CCOc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001588424161 1092945033 /nfs/dbraw/zinc/94/50/33/1092945033.db2.gz GPCNPRYGPOZAJI-UHFFFAOYSA-N -1 3 341.371 2.777 20 30 EFEDHM C=C(C)CCc1noc([C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001588423795 1092945431 /nfs/dbraw/zinc/94/54/31/1092945431.db2.gz BIBOXYWEMMBVLR-CQSZACIVSA-N -1 3 335.371 2.608 20 30 EFEDHM C=C(C)CCc1noc([C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001588423795 1092945441 /nfs/dbraw/zinc/94/54/41/1092945441.db2.gz BIBOXYWEMMBVLR-CQSZACIVSA-N -1 3 335.371 2.608 20 30 EFEDHM C=C1CC(c2noc(C3(c4cc(F)cc(-c5nnn[n-]5)c4)CC3)n2)C1 ZINC001588455577 1092946322 /nfs/dbraw/zinc/94/63/22/1092946322.db2.gz AAVGNQIPIKUDPJ-UHFFFAOYSA-N -1 3 338.346 2.902 20 30 EFEDHM C=C1CC(c2noc(C3(c4cc(F)cc(-c5nn[n-]n5)c4)CC3)n2)C1 ZINC001588455577 1092946333 /nfs/dbraw/zinc/94/63/33/1092946333.db2.gz AAVGNQIPIKUDPJ-UHFFFAOYSA-N -1 3 338.346 2.902 20 30 EFEDHM C=C(CC)COc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001588444328 1092947211 /nfs/dbraw/zinc/94/72/11/1092947211.db2.gz XKKLETKZMZCPFK-UHFFFAOYSA-N -1 3 341.371 2.777 20 30 EFEDHM C=C(CNC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588443963 1092947315 /nfs/dbraw/zinc/94/73/15/1092947315.db2.gz BXHLXRXPQFUOGU-CQSZACIVSA-N -1 3 347.422 2.875 20 30 EFEDHM C=C(CNC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588443963 1092947324 /nfs/dbraw/zinc/94/73/24/1092947324.db2.gz BXHLXRXPQFUOGU-CQSZACIVSA-N -1 3 347.422 2.875 20 30 EFEDHM C=C(CC)COC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588444367 1092947755 /nfs/dbraw/zinc/94/77/55/1092947755.db2.gz YWDOGJHNHDLXLL-UHFFFAOYSA-N -1 3 325.328 2.645 20 30 EFEDHM C=C(CC)COC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588444367 1092947762 /nfs/dbraw/zinc/94/77/62/1092947762.db2.gz YWDOGJHNHDLXLL-UHFFFAOYSA-N -1 3 325.328 2.645 20 30 EFEDHM C=C(CNC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001588443979 1092948058 /nfs/dbraw/zinc/94/80/58/1092948058.db2.gz CXXRDNPVBLILCN-UHFFFAOYSA-N -1 3 336.424 2.867 20 30 EFEDHM C=C(CNC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001588443979 1092948061 /nfs/dbraw/zinc/94/80/61/1092948061.db2.gz CXXRDNPVBLILCN-UHFFFAOYSA-N -1 3 336.424 2.867 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588456773 1092948126 /nfs/dbraw/zinc/94/81/26/1092948126.db2.gz VDEOLKPAUAYDFF-GASCZTMLSA-N -1 3 338.415 2.568 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588456773 1092948133 /nfs/dbraw/zinc/94/81/33/1092948133.db2.gz VDEOLKPAUAYDFF-GASCZTMLSA-N -1 3 338.415 2.568 20 30 EFEDHM C=C[C@@H](C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588467096 1092949098 /nfs/dbraw/zinc/94/90/98/1092949098.db2.gz CCZOLABZLKDQLN-GOSISDBHSA-N -1 3 347.422 2.837 20 30 EFEDHM C=C[C@@H](C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588467096 1092949109 /nfs/dbraw/zinc/94/91/09/1092949109.db2.gz CCZOLABZLKDQLN-GOSISDBHSA-N -1 3 347.422 2.837 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588486876 1092949242 /nfs/dbraw/zinc/94/92/42/1092949242.db2.gz LMVBTMGAMAXBMQ-LBPRGKRZSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588486876 1092949253 /nfs/dbraw/zinc/94/92/53/1092949253.db2.gz LMVBTMGAMAXBMQ-LBPRGKRZSA-N -1 3 328.420 2.829 20 30 EFEDHM C=C1CCN(c2ccc(-c3nnn[n-]3)c(Br)c2F)CC1 ZINC001588462717 1092950166 /nfs/dbraw/zinc/95/01/66/1092950166.db2.gz OTUUKOVDXYERSP-UHFFFAOYSA-N -1 3 338.184 2.925 20 30 EFEDHM C=C1CCN(c2ccc(-c3nn[n-]n3)c(Br)c2F)CC1 ZINC001588462717 1092950171 /nfs/dbraw/zinc/95/01/71/1092950171.db2.gz OTUUKOVDXYERSP-UHFFFAOYSA-N -1 3 338.184 2.925 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001588498671 1092952004 /nfs/dbraw/zinc/95/20/04/1092952004.db2.gz CBAZDUFCWNIERW-HNNXBMFYSA-N -1 3 335.433 2.712 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC001588498671 1092952010 /nfs/dbraw/zinc/95/20/10/1092952010.db2.gz CBAZDUFCWNIERW-HNNXBMFYSA-N -1 3 335.433 2.712 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588500473 1092953781 /nfs/dbraw/zinc/95/37/81/1092953781.db2.gz XWRXXLBTLLOKRG-HNNXBMFYSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588500473 1092953790 /nfs/dbraw/zinc/95/37/90/1092953790.db2.gz XWRXXLBTLLOKRG-HNNXBMFYSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001588497248 1092953840 /nfs/dbraw/zinc/95/38/40/1092953840.db2.gz YMFIFSMDIXVJKJ-KRWDZBQOSA-N -1 3 325.372 2.765 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001588497248 1092953849 /nfs/dbraw/zinc/95/38/49/1092953849.db2.gz YMFIFSMDIXVJKJ-KRWDZBQOSA-N -1 3 325.372 2.765 20 30 EFEDHM C=CCC(C)(C)COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588539318 1092954985 /nfs/dbraw/zinc/95/49/85/1092954985.db2.gz GRNOYRJJSALUJY-GFCCVEGCSA-N -1 3 330.388 2.780 20 30 EFEDHM C=CC[C@H](CC)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588541770 1092955612 /nfs/dbraw/zinc/95/56/12/1092955612.db2.gz RVIONWAQNFGSRJ-XJKSGUPXSA-N -1 3 343.431 2.741 20 30 EFEDHM C=CC[C@H](CC)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588541770 1092955615 /nfs/dbraw/zinc/95/56/15/1092955615.db2.gz RVIONWAQNFGSRJ-XJKSGUPXSA-N -1 3 343.431 2.741 20 30 EFEDHM C=CCC1(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001588556914 1092956850 /nfs/dbraw/zinc/95/68/50/1092956850.db2.gz GMFWCQBAVSKSHI-JKSUJKDBSA-N -1 3 337.427 2.975 20 30 EFEDHM C=CCC1(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001588556914 1092956861 /nfs/dbraw/zinc/95/68/61/1092956861.db2.gz GMFWCQBAVSKSHI-JKSUJKDBSA-N -1 3 337.427 2.975 20 30 EFEDHM C=CCC1(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCCC1 ZINC001588552988 1092957441 /nfs/dbraw/zinc/95/74/41/1092957441.db2.gz IDIWWBIDSRLDOH-UHFFFAOYSA-N -1 3 329.379 2.759 20 30 EFEDHM C=CCC1(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCCC1 ZINC001588552988 1092957447 /nfs/dbraw/zinc/95/74/47/1092957447.db2.gz IDIWWBIDSRLDOH-UHFFFAOYSA-N -1 3 329.379 2.759 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588545754 1092957517 /nfs/dbraw/zinc/95/75/17/1092957517.db2.gz NEEARBZIMOKWMM-KRWDZBQOSA-N -1 3 333.395 2.784 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588545754 1092957525 /nfs/dbraw/zinc/95/75/25/1092957525.db2.gz NEEARBZIMOKWMM-KRWDZBQOSA-N -1 3 333.395 2.784 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)CCCC1 ZINC001588553660 1092958147 /nfs/dbraw/zinc/95/81/47/1092958147.db2.gz RYVUMQQRUFNTTK-UHFFFAOYSA-N -1 3 329.379 2.759 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)CCCC1 ZINC001588553660 1092958158 /nfs/dbraw/zinc/95/81/58/1092958158.db2.gz RYVUMQQRUFNTTK-UHFFFAOYSA-N -1 3 329.379 2.759 20 30 EFEDHM C=CCC1(CNc2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCC1 ZINC001588557674 1092959790 /nfs/dbraw/zinc/95/97/90/1092959790.db2.gz SKNNZTYFFWZPSK-UHFFFAOYSA-N -1 3 329.364 2.718 20 30 EFEDHM C=CCC1(CNc2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCC1 ZINC001588557674 1092959800 /nfs/dbraw/zinc/95/98/00/1092959800.db2.gz SKNNZTYFFWZPSK-UHFFFAOYSA-N -1 3 329.364 2.718 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC001588559772 1092960018 /nfs/dbraw/zinc/96/00/18/1092960018.db2.gz LJFXBNWNTHCFNW-ZDUSSCGKSA-N -1 3 326.404 2.995 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC001588559772 1092960027 /nfs/dbraw/zinc/96/00/27/1092960027.db2.gz LJFXBNWNTHCFNW-ZDUSSCGKSA-N -1 3 326.404 2.995 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588560537 1092961111 /nfs/dbraw/zinc/96/11/11/1092961111.db2.gz SEYRKUXPLRGEQQ-BBRMVZONSA-N -1 3 340.431 2.530 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001588560410 1092961746 /nfs/dbraw/zinc/96/17/46/1092961746.db2.gz PYSOVNHMSXGSNP-PWSUYJOCSA-N -1 3 346.822 2.780 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588559714 1092962199 /nfs/dbraw/zinc/96/21/99/1092962199.db2.gz LCJWBTIPGJUIAW-TZMCWYRMSA-N -1 3 327.388 2.862 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588559714 1092962207 /nfs/dbraw/zinc/96/22/07/1092962207.db2.gz LCJWBTIPGJUIAW-TZMCWYRMSA-N -1 3 327.388 2.862 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588583468 1092963902 /nfs/dbraw/zinc/96/39/02/1092963902.db2.gz XOUFQUUTSMZUPW-OAHLLOKOSA-N -1 3 340.431 2.504 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588583468 1092963910 /nfs/dbraw/zinc/96/39/10/1092963910.db2.gz XOUFQUUTSMZUPW-OAHLLOKOSA-N -1 3 340.431 2.504 20 30 EFEDHM C=CCCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588593417 1092964271 /nfs/dbraw/zinc/96/42/71/1092964271.db2.gz DMGJMALILJIZMH-UHFFFAOYSA-N -1 3 330.436 2.852 20 30 EFEDHM C=CCCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588593417 1092964282 /nfs/dbraw/zinc/96/42/82/1092964282.db2.gz DMGJMALILJIZMH-UHFFFAOYSA-N -1 3 330.436 2.852 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588580024 1092964593 /nfs/dbraw/zinc/96/45/93/1092964593.db2.gz XOYHSJHZIZXSKM-UKRRQHHQSA-N -1 3 341.415 2.591 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588580023 1092965041 /nfs/dbraw/zinc/96/50/41/1092965041.db2.gz XOYHSJHZIZXSKM-HIFRSBDPSA-N -1 3 341.415 2.591 20 30 EFEDHM C=CCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)[nH]c1C)c1ccccc1 ZINC001588579208 1092965193 /nfs/dbraw/zinc/96/51/93/1092965193.db2.gz KOKNOTDHJGTJAP-OAHLLOKOSA-N -1 3 336.399 2.941 20 30 EFEDHM C=CCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)[nH]c1C)c1ccccc1 ZINC001588579208 1092965203 /nfs/dbraw/zinc/96/52/03/1092965203.db2.gz KOKNOTDHJGTJAP-OAHLLOKOSA-N -1 3 336.399 2.941 20 30 EFEDHM C=CCCCC(=O)NC[C@@H](CC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588586134 1092965283 /nfs/dbraw/zinc/96/52/83/1092965283.db2.gz FAGONUQRLWXPQL-GFCCVEGCSA-N -1 3 346.410 2.669 20 30 EFEDHM C=CCCCC(=O)NC[C@@H](CC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588586134 1092965288 /nfs/dbraw/zinc/96/52/88/1092965288.db2.gz FAGONUQRLWXPQL-GFCCVEGCSA-N -1 3 346.410 2.669 20 30 EFEDHM C=CCCCCCCNC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588593644 1092965477 /nfs/dbraw/zinc/96/54/77/1092965477.db2.gz GBVRVLXSKLTKIR-UHFFFAOYSA-N -1 3 329.408 2.828 20 30 EFEDHM C=CCCCCCCNC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588593644 1092965488 /nfs/dbraw/zinc/96/54/88/1092965488.db2.gz GBVRVLXSKLTKIR-UHFFFAOYSA-N -1 3 329.408 2.828 20 30 EFEDHM C=CCCN(C)c1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001588603659 1092966280 /nfs/dbraw/zinc/96/62/80/1092966280.db2.gz UOUAKNGWZHETKB-UHFFFAOYSA-N -1 3 326.173 2.781 20 30 EFEDHM C=CCCN(C)c1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001588603659 1092966287 /nfs/dbraw/zinc/96/62/87/1092966287.db2.gz UOUAKNGWZHETKB-UHFFFAOYSA-N -1 3 326.173 2.781 20 30 EFEDHM C=CCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588596697 1092967586 /nfs/dbraw/zinc/96/75/86/1092967586.db2.gz YBJCVDOXMCMCEK-UHFFFAOYSA-N -1 3 330.392 2.743 20 30 EFEDHM C=CCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588596697 1092967595 /nfs/dbraw/zinc/96/75/95/1092967595.db2.gz YBJCVDOXMCMCEK-UHFFFAOYSA-N -1 3 330.392 2.743 20 30 EFEDHM C=CCCC[C@@H](C)n1cc(COc2ccccc2-c2nnn[n-]2)nn1 ZINC001588594638 1092968178 /nfs/dbraw/zinc/96/81/78/1092968178.db2.gz QAZKFCCBIPROGH-CYBMUJFWSA-N -1 3 339.403 2.955 20 30 EFEDHM C=CCCC[C@@H](C)n1cc(COc2ccccc2-c2nn[n-]n2)nn1 ZINC001588594638 1092968188 /nfs/dbraw/zinc/96/81/88/1092968188.db2.gz QAZKFCCBIPROGH-CYBMUJFWSA-N -1 3 339.403 2.955 20 30 EFEDHM C=CCCc1ccccc1NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588620999 1092969414 /nfs/dbraw/zinc/96/94/14/1092969414.db2.gz QAJSOBSESBUCNZ-UHFFFAOYSA-N -1 3 334.383 2.941 20 30 EFEDHM C=CCCc1ccccc1NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588620999 1092969426 /nfs/dbraw/zinc/96/94/26/1092969426.db2.gz QAJSOBSESBUCNZ-UHFFFAOYSA-N -1 3 334.383 2.941 20 30 EFEDHM C=CCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC001588616124 1092970012 /nfs/dbraw/zinc/97/00/12/1092970012.db2.gz WKHYUIAGOKECHR-UHFFFAOYSA-N -1 3 347.444 2.728 20 30 EFEDHM C=CCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC001588616124 1092970021 /nfs/dbraw/zinc/97/00/21/1092970021.db2.gz WKHYUIAGOKECHR-UHFFFAOYSA-N -1 3 347.444 2.728 20 30 EFEDHM C=CCN(CC=C)c1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588631719 1092971920 /nfs/dbraw/zinc/97/19/20/1092971920.db2.gz LDRIYGZMIILRTM-UHFFFAOYSA-N -1 3 338.184 2.947 20 30 EFEDHM C=CCN(CC=C)c1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588631719 1092971931 /nfs/dbraw/zinc/97/19/31/1092971931.db2.gz LDRIYGZMIILRTM-UHFFFAOYSA-N -1 3 338.184 2.947 20 30 EFEDHM C=CCN(CC=C)c1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001588631920 1092972359 /nfs/dbraw/zinc/97/23/59/1092972359.db2.gz ODXCRLABYCMJEP-UHFFFAOYSA-N -1 3 338.184 2.947 20 30 EFEDHM C=CCN(CC=C)c1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001588631920 1092972367 /nfs/dbraw/zinc/97/23/67/1092972367.db2.gz ODXCRLABYCMJEP-UHFFFAOYSA-N -1 3 338.184 2.947 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@H]1C ZINC001588640086 1092972418 /nfs/dbraw/zinc/97/24/18/1092972418.db2.gz JQLCSXRAEPACHG-CQSZACIVSA-N -1 3 340.431 2.849 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@H]1C ZINC001588640086 1092972422 /nfs/dbraw/zinc/97/24/22/1092972422.db2.gz JQLCSXRAEPACHG-CQSZACIVSA-N -1 3 340.431 2.849 20 30 EFEDHM C=CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588653294 1092974111 /nfs/dbraw/zinc/97/41/11/1092974111.db2.gz BDLYZZMDZLJMBK-UHFFFAOYSA-N -1 3 336.355 2.968 20 30 EFEDHM C=CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588653294 1092974120 /nfs/dbraw/zinc/97/41/20/1092974120.db2.gz BDLYZZMDZLJMBK-UHFFFAOYSA-N -1 3 336.355 2.968 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588653536 1092976257 /nfs/dbraw/zinc/97/62/57/1092976257.db2.gz LBHRQROEYWZIQX-UHFFFAOYSA-N -1 3 349.398 2.790 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588653536 1092976267 /nfs/dbraw/zinc/97/62/67/1092976267.db2.gz LBHRQROEYWZIQX-UHFFFAOYSA-N -1 3 349.398 2.790 20 30 EFEDHM C=CCOCCNc1cc(C(F)(F)F)c(F)cc1-c1nnn[n-]1 ZINC001588683256 1092977888 /nfs/dbraw/zinc/97/78/88/1092977888.db2.gz PPALTJMNUURCRU-UHFFFAOYSA-N -1 3 331.273 2.639 20 30 EFEDHM C=CCOCCNc1cc(C(F)(F)F)c(F)cc1-c1nn[n-]n1 ZINC001588683256 1092977896 /nfs/dbraw/zinc/97/78/96/1092977896.db2.gz PPALTJMNUURCRU-UHFFFAOYSA-N -1 3 331.273 2.639 20 30 EFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)CCCC ZINC001588696694 1092980053 /nfs/dbraw/zinc/98/00/53/1092980053.db2.gz OUVXRGHTYLZLCF-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)CCCC ZINC001588696694 1092980063 /nfs/dbraw/zinc/98/00/63/1092980063.db2.gz OUVXRGHTYLZLCF-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=CCn1c(C)cc(C(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001588703013 1092980346 /nfs/dbraw/zinc/98/03/46/1092980346.db2.gz GOCTTXMLQUBBNY-UHFFFAOYSA-N -1 3 337.383 2.733 20 30 EFEDHM CC#CCN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588747751 1092982686 /nfs/dbraw/zinc/98/26/86/1092982686.db2.gz TVZNIPYFKZNESH-UHFFFAOYSA-N -1 3 347.378 2.754 20 30 EFEDHM CC#CCN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588747751 1092982695 /nfs/dbraw/zinc/98/26/95/1092982695.db2.gz TVZNIPYFKZNESH-UHFFFAOYSA-N -1 3 347.378 2.754 20 30 EFEDHM CC#CCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588747728 1092984028 /nfs/dbraw/zinc/98/40/28/1092984028.db2.gz SJOWZDBCHKVDKB-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM CC#CCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588747728 1092984037 /nfs/dbraw/zinc/98/40/37/1092984037.db2.gz SJOWZDBCHKVDKB-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nnn[n-]2)s1 ZINC001588780520 1092991989 /nfs/dbraw/zinc/99/19/89/1092991989.db2.gz CUWZRFSRROTHAK-UHFFFAOYSA-N -1 3 343.372 2.981 20 30 EFEDHM CC(=NN[C@@H](C)COc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001588776387 1092992155 /nfs/dbraw/zinc/99/21/55/1092992155.db2.gz KUYAZPLXCBPCPV-ZDUSSCGKSA-N -1 3 336.399 2.648 20 30 EFEDHM CC(=NN[C@@H](C)COc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001588776387 1092992165 /nfs/dbraw/zinc/99/21/65/1092992165.db2.gz KUYAZPLXCBPCPV-ZDUSSCGKSA-N -1 3 336.399 2.648 20 30 EFEDHM CC(=NNc1ccncc1Cl)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588781090 1092993226 /nfs/dbraw/zinc/99/32/26/1092993226.db2.gz CRLCSCMPMNTYSZ-UHFFFAOYSA-N -1 3 348.197 2.827 20 30 EFEDHM CC(=NNc1ccncc1Cl)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588781090 1092993234 /nfs/dbraw/zinc/99/32/34/1092993234.db2.gz CRLCSCMPMNTYSZ-UHFFFAOYSA-N -1 3 348.197 2.827 20 30 EFEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(C#N)cc1F ZINC001588918794 1093011018 /nfs/dbraw/zinc/01/10/18/1093011018.db2.gz QVSZTVDTQVSVKM-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(C#N)cc1F ZINC001588918794 1093011024 /nfs/dbraw/zinc/01/10/24/1093011024.db2.gz QVSZTVDTQVSVKM-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(C)c(C#N)c1 ZINC001588918386 1093011652 /nfs/dbraw/zinc/01/16/52/1093011652.db2.gz ALXVZNYTJHIAIE-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(C)c(C#N)c1 ZINC001588918386 1093011659 /nfs/dbraw/zinc/01/16/59/1093011659.db2.gz ALXVZNYTJHIAIE-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM C[C@@H](C#N)CNc1c(Br)cc(Cl)cc1-c1nnn[n-]1 ZINC001588934890 1093013557 /nfs/dbraw/zinc/01/35/57/1093013557.db2.gz YQWDGVGASVCWKB-LURJTMIESA-N -1 3 341.600 2.854 20 30 EFEDHM C[C@@H](C#N)CNc1c(Br)cc(Cl)cc1-c1nn[n-]n1 ZINC001588934890 1093013562 /nfs/dbraw/zinc/01/35/62/1093013562.db2.gz YQWDGVGASVCWKB-LURJTMIESA-N -1 3 341.600 2.854 20 30 EFEDHM C[C@H](C#N)CNc1c(Br)cc(Cl)cc1-c1nnn[n-]1 ZINC001588934891 1093015932 /nfs/dbraw/zinc/01/59/32/1093015932.db2.gz YQWDGVGASVCWKB-ZCFIWIBFSA-N -1 3 341.600 2.854 20 30 EFEDHM C[C@H](C#N)CNc1c(Br)cc(Cl)cc1-c1nn[n-]n1 ZINC001588934891 1093015941 /nfs/dbraw/zinc/01/59/41/1093015941.db2.gz YQWDGVGASVCWKB-ZCFIWIBFSA-N -1 3 341.600 2.854 20 30 EFEDHM CC(C)(C#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001589033247 1093020230 /nfs/dbraw/zinc/02/02/30/1093020230.db2.gz BNMUTIFNUWEWPZ-UHFFFAOYSA-N -1 3 349.354 2.542 20 30 EFEDHM CC(C)(C#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001589033247 1093020237 /nfs/dbraw/zinc/02/02/37/1093020237.db2.gz BNMUTIFNUWEWPZ-UHFFFAOYSA-N -1 3 349.354 2.542 20 30 EFEDHM CC(C)(C(=O)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589065077 1093024670 /nfs/dbraw/zinc/02/46/70/1093024670.db2.gz ZPCIPESSYKKWCJ-UHFFFAOYSA-N -1 3 333.351 2.622 20 30 EFEDHM CC(C)(C(=O)Oc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589065077 1093024678 /nfs/dbraw/zinc/02/46/78/1093024678.db2.gz ZPCIPESSYKKWCJ-UHFFFAOYSA-N -1 3 333.351 2.622 20 30 EFEDHM CC(C)(C)[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCO1 ZINC001589095584 1093027617 /nfs/dbraw/zinc/02/76/17/1093027617.db2.gz BZGFYBHERRAUAP-NSHDSACASA-N -1 3 349.826 2.908 20 30 EFEDHM CC(C)(C)[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCO1 ZINC001589095584 1093027627 /nfs/dbraw/zinc/02/76/27/1093027627.db2.gz BZGFYBHERRAUAP-NSHDSACASA-N -1 3 349.826 2.908 20 30 EFEDHM CC(C)(C)c1ccc(C#N)c(N2Cc3ccc(-c4nnn[n-]4)cc3C2)n1 ZINC001589222192 1093050584 /nfs/dbraw/zinc/05/05/84/1093050584.db2.gz URZAOYLWYIPWGS-UHFFFAOYSA-N -1 3 345.410 2.951 20 30 EFEDHM CC(C)(C)c1ccc(C#N)c(N2Cc3ccc(-c4nn[n-]n4)cc3C2)n1 ZINC001589222192 1093050594 /nfs/dbraw/zinc/05/05/94/1093050594.db2.gz URZAOYLWYIPWGS-UHFFFAOYSA-N -1 3 345.410 2.951 20 30 EFEDHM CC(C)(CC#N)CNc1c(Br)cccc1-c1nnn[n-]1 ZINC001589267184 1093059683 /nfs/dbraw/zinc/05/96/83/1093059683.db2.gz KIXJNQINRCMKFZ-UHFFFAOYSA-N -1 3 335.209 2.981 20 30 EFEDHM CC(C)(CC#N)CNc1c(Br)cccc1-c1nn[n-]n1 ZINC001589267184 1093059688 /nfs/dbraw/zinc/05/96/88/1093059688.db2.gz KIXJNQINRCMKFZ-UHFFFAOYSA-N -1 3 335.209 2.981 20 30 EFEDHM CC(C)(CCC#N)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589272858 1093061814 /nfs/dbraw/zinc/06/18/14/1093061814.db2.gz QNRYKZSKZMYUIM-UHFFFAOYSA-N -1 3 347.810 2.972 20 30 EFEDHM CC(C)(CCC#N)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589272858 1093061819 /nfs/dbraw/zinc/06/18/19/1093061819.db2.gz QNRYKZSKZMYUIM-UHFFFAOYSA-N -1 3 347.810 2.972 20 30 EFEDHM CC(C)(F)CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001589312880 1093069713 /nfs/dbraw/zinc/06/97/13/1093069713.db2.gz XGEASLPZXIBXGM-UHFFFAOYSA-N -1 3 343.410 2.952 20 30 EFEDHM CC(C)(F)CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589312880 1093069724 /nfs/dbraw/zinc/06/97/24/1093069724.db2.gz XGEASLPZXIBXGM-UHFFFAOYSA-N -1 3 343.410 2.952 20 30 EFEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001589541216 1093104935 /nfs/dbraw/zinc/10/49/35/1093104935.db2.gz BZPIKASQBRRLLB-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001589541216 1093104937 /nfs/dbraw/zinc/10/49/37/1093104937.db2.gz BZPIKASQBRRLLB-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)Cn1nccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC001589671329 1093122893 /nfs/dbraw/zinc/12/28/93/1093122893.db2.gz AFXDFAQAIKRUHV-GXDHUFHOSA-N -1 3 348.410 2.932 20 30 EFEDHM CC(C)Cn1nccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC001589671329 1093122900 /nfs/dbraw/zinc/12/29/00/1093122900.db2.gz AFXDFAQAIKRUHV-GXDHUFHOSA-N -1 3 348.410 2.932 20 30 EFEDHM CC(C)c1ccc2ncc(-c3nnn[n-]3)c(NCC(C)(C)C#N)c2c1 ZINC001589770961 1093141022 /nfs/dbraw/zinc/14/10/22/1093141022.db2.gz PXVOMPBYNAJBRH-UHFFFAOYSA-N -1 3 335.415 2.922 20 30 EFEDHM CC(C)c1ccc2ncc(-c3nn[n-]n3)c(NCC(C)(C)C#N)c2c1 ZINC001589770961 1093141024 /nfs/dbraw/zinc/14/10/24/1093141024.db2.gz PXVOMPBYNAJBRH-UHFFFAOYSA-N -1 3 335.415 2.922 20 30 EFEDHM C[C@H](CC#N)Nc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589788270 1093148555 /nfs/dbraw/zinc/14/85/55/1093148555.db2.gz VXUBWVIZUJIADU-LLVKDONJSA-N -1 3 336.403 2.506 20 30 EFEDHM C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589797043 1093150285 /nfs/dbraw/zinc/15/02/85/1093150285.db2.gz UAFPOKPYSJNMBO-BYCMXARLSA-N -1 3 339.399 2.842 20 30 EFEDHM C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589797043 1093150288 /nfs/dbraw/zinc/15/02/88/1093150288.db2.gz UAFPOKPYSJNMBO-BYCMXARLSA-N -1 3 339.399 2.842 20 30 EFEDHM C[C@H](CC(C)(C)C#N)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589794696 1093151138 /nfs/dbraw/zinc/15/11/38/1093151138.db2.gz FJHIRUHDAVMYEV-IDVQTMNDSA-N -1 3 325.372 2.751 20 30 EFEDHM C[C@H](CC(C)(C)C#N)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589794696 1093151141 /nfs/dbraw/zinc/15/11/41/1093151141.db2.gz FJHIRUHDAVMYEV-IDVQTMNDSA-N -1 3 325.372 2.751 20 30 EFEDHM C[C@@H](COc1ccccc1)NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001589884827 1093164859 /nfs/dbraw/zinc/16/48/59/1093164859.db2.gz ILHLAKCJAULVGH-ZDUSSCGKSA-N -1 3 348.410 2.574 20 30 EFEDHM C[C@@H](COc1ccccc1)NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001589884827 1093164863 /nfs/dbraw/zinc/16/48/63/1093164863.db2.gz ILHLAKCJAULVGH-ZDUSSCGKSA-N -1 3 348.410 2.574 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(C)(C)CCC#N ZINC001589894009 1093168088 /nfs/dbraw/zinc/16/80/88/1093168088.db2.gz JCCPQTSGFPFNPV-CYBMUJFWSA-N -1 3 341.415 2.918 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(C)(C)CCC#N ZINC001589894009 1093168090 /nfs/dbraw/zinc/16/80/90/1093168090.db2.gz JCCPQTSGFPFNPV-CYBMUJFWSA-N -1 3 341.415 2.918 20 30 EFEDHM C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589920158 1093178141 /nfs/dbraw/zinc/17/81/41/1093178141.db2.gz UUBSAMKXIAOTRV-SUMWQHHRSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589920158 1093178144 /nfs/dbraw/zinc/17/81/44/1093178144.db2.gz UUBSAMKXIAOTRV-SUMWQHHRSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@@H](OC(=O)C1(C#N)CCSCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590004469 1093216419 /nfs/dbraw/zinc/21/64/19/1093216419.db2.gz INACDCATFIVKGF-LLVKDONJSA-N -1 3 343.412 2.508 20 30 EFEDHM C[C@@H](OC(=O)C1(C#N)CCSCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590004469 1093216422 /nfs/dbraw/zinc/21/64/22/1093216422.db2.gz INACDCATFIVKGF-LLVKDONJSA-N -1 3 343.412 2.508 20 30 EFEDHM C[C@H](OC(=O)c1cccc(F)c1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590011588 1093220586 /nfs/dbraw/zinc/22/05/86/1093220586.db2.gz VXMNACQRBMOFRF-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](OC(=O)c1cccc(F)c1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590011588 1093220592 /nfs/dbraw/zinc/22/05/92/1093220592.db2.gz VXMNACQRBMOFRF-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC001590012656 1093221292 /nfs/dbraw/zinc/22/12/92/1093221292.db2.gz DCZTWGHIDNUWLC-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC001590012656 1093221301 /nfs/dbraw/zinc/22/13/01/1093221301.db2.gz DCZTWGHIDNUWLC-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C1CCCCC1 ZINC001590038188 1093233150 /nfs/dbraw/zinc/23/31/50/1093233150.db2.gz ZZSZZBDVOVUXEO-VIFPVBQESA-N -1 3 329.433 2.776 20 30 EFEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)C1CCCCC1 ZINC001590038188 1093233162 /nfs/dbraw/zinc/23/31/62/1093233162.db2.gz ZZSZZBDVOVUXEO-VIFPVBQESA-N -1 3 329.433 2.776 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cccc(C#N)c1 ZINC001590044821 1093236588 /nfs/dbraw/zinc/23/65/88/1093236588.db2.gz XZQOJEWEMMVYTK-LBPRGKRZSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cccc(C#N)c1 ZINC001590044821 1093236596 /nfs/dbraw/zinc/23/65/96/1093236596.db2.gz XZQOJEWEMMVYTK-LBPRGKRZSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC001590047574 1093242870 /nfs/dbraw/zinc/24/28/70/1093242870.db2.gz TYRDIFILPQMJIT-NSHDSACASA-N -1 3 349.354 2.844 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC001590047574 1093242881 /nfs/dbraw/zinc/24/28/81/1093242881.db2.gz TYRDIFILPQMJIT-NSHDSACASA-N -1 3 349.354 2.844 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1cc(C#N)nc(C2CC2)n1 ZINC001590047622 1093243575 /nfs/dbraw/zinc/24/35/75/1093243575.db2.gz UVUPRAHVGVMAEY-LLVKDONJSA-N -1 3 346.398 2.603 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1cc(C#N)nc(C2CC2)n1 ZINC001590047622 1093243580 /nfs/dbraw/zinc/24/35/80/1093243580.db2.gz UVUPRAHVGVMAEY-LLVKDONJSA-N -1 3 346.398 2.603 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001590051157 1093246058 /nfs/dbraw/zinc/24/60/58/1093246058.db2.gz VZJINIXFICOEIZ-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001590051157 1093246065 /nfs/dbraw/zinc/24/60/65/1093246065.db2.gz VZJINIXFICOEIZ-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590051708 1093248266 /nfs/dbraw/zinc/24/82/66/1093248266.db2.gz YSHDTESNYXTZNG-GFCCVEGCSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590051708 1093248269 /nfs/dbraw/zinc/24/82/69/1093248269.db2.gz YSHDTESNYXTZNG-GFCCVEGCSA-N -1 3 332.367 2.572 20 30 EFEDHM CC1(C)CCCN(C(=O)c2cc(-c3nnn[n-]3)ccc2Cl)[C@H]1C#N ZINC001590096818 1093267487 /nfs/dbraw/zinc/26/74/87/1093267487.db2.gz MEMHQVSFHWAJHZ-ZDUSSCGKSA-N -1 3 344.806 2.674 20 30 EFEDHM CC1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)ccc2Cl)[C@H]1C#N ZINC001590096818 1093267490 /nfs/dbraw/zinc/26/74/90/1093267490.db2.gz MEMHQVSFHWAJHZ-ZDUSSCGKSA-N -1 3 344.806 2.674 20 30 EFEDHM CC1=CCN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)CC1 ZINC001590161918 1093291454 /nfs/dbraw/zinc/29/14/54/1093291454.db2.gz RIJNOYYGWIWTJT-UHFFFAOYSA-N -1 3 349.442 2.949 20 30 EFEDHM CC1=CCN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)CC1 ZINC001590161918 1093291462 /nfs/dbraw/zinc/29/14/62/1093291462.db2.gz RIJNOYYGWIWTJT-UHFFFAOYSA-N -1 3 349.442 2.949 20 30 EFEDHM C[C@H]1O[C@@H](C)CC1N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001590181883 1093296364 /nfs/dbraw/zinc/29/63/64/1093296364.db2.gz VCOKSYNUKOEKIU-JGVFFNPUSA-N -1 3 340.309 2.851 20 30 EFEDHM C[C@H]1O[C@@H](C)CC1N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001590181883 1093296369 /nfs/dbraw/zinc/29/63/69/1093296369.db2.gz VCOKSYNUKOEKIU-JGVFFNPUSA-N -1 3 340.309 2.851 20 30 EFEDHM C[C@@H]1CCC[C@@H](OC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590251730 1093339625 /nfs/dbraw/zinc/33/96/25/1093339625.db2.gz HRWRKEAYJTUREC-UHOFOFEASA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@@H]1CCC[C@@H](OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590251730 1093339634 /nfs/dbraw/zinc/33/96/34/1093339634.db2.gz HRWRKEAYJTUREC-UHOFOFEASA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@@H]1CCCCN1N=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001590257801 1093347644 /nfs/dbraw/zinc/34/76/44/1093347644.db2.gz ZJVOUXOOPKFZFW-OAHLLOKOSA-N -1 3 349.442 2.925 20 30 EFEDHM C[C@@H]1CCCCN1N=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001590257801 1093347654 /nfs/dbraw/zinc/34/76/54/1093347654.db2.gz ZJVOUXOOPKFZFW-OAHLLOKOSA-N -1 3 349.442 2.925 20 30 EFEDHM C[C@@H]1CCCN1c1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001590265556 1093350471 /nfs/dbraw/zinc/35/04/71/1093350471.db2.gz UKNVCPRWZLNFNN-GFCCVEGCSA-N -1 3 337.431 2.781 20 30 EFEDHM C[C@@H]1CCCN1c1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001590265556 1093350481 /nfs/dbraw/zinc/35/04/81/1093350481.db2.gz UKNVCPRWZLNFNN-GFCCVEGCSA-N -1 3 337.431 2.781 20 30 EFEDHM C[C@H]1CCCN1c1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001590263736 1093351112 /nfs/dbraw/zinc/35/11/12/1093351112.db2.gz FSSMHGLXFRJMGO-LBPRGKRZSA-N -1 3 337.431 2.781 20 30 EFEDHM C[C@H]1CCCN1c1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001590263736 1093351120 /nfs/dbraw/zinc/35/11/20/1093351120.db2.gz FSSMHGLXFRJMGO-LBPRGKRZSA-N -1 3 337.431 2.781 20 30 EFEDHM C[C@H]1CN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)[C@H]1C ZINC001590316128 1093371623 /nfs/dbraw/zinc/37/16/23/1093371623.db2.gz KIPVIWDLRSIXPX-RYUDHWBXSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@H]1CN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)[C@H]1C ZINC001590316128 1093371635 /nfs/dbraw/zinc/37/16/35/1093371635.db2.gz KIPVIWDLRSIXPX-RYUDHWBXSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@H]1OCC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)[C@@H]1C ZINC001590334627 1093381490 /nfs/dbraw/zinc/38/14/90/1093381490.db2.gz LAFMRNXMPSTREJ-HTQZYQBOSA-N -1 3 340.309 2.708 20 30 EFEDHM C[C@H]1OCC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)[C@@H]1C ZINC001590334627 1093381495 /nfs/dbraw/zinc/38/14/95/1093381495.db2.gz LAFMRNXMPSTREJ-HTQZYQBOSA-N -1 3 340.309 2.708 20 30 EFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001590367213 1093391774 /nfs/dbraw/zinc/39/17/74/1093391774.db2.gz HPSZPPJIEVWYDY-NSHDSACASA-N -1 3 349.354 2.542 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001590371504 1093391847 /nfs/dbraw/zinc/39/18/47/1093391847.db2.gz BSKJRGXHUJFGEK-ZDUSSCGKSA-N -1 3 349.192 2.508 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001590371504 1093391852 /nfs/dbraw/zinc/39/18/52/1093391852.db2.gz BSKJRGXHUJFGEK-ZDUSSCGKSA-N -1 3 349.192 2.508 20 30 EFEDHM CCC(C#N)(CC)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC001590367285 1093391973 /nfs/dbraw/zinc/39/19/73/1093391973.db2.gz KRHSOWPEIAUNJU-GFCCVEGCSA-N -1 3 343.387 2.507 20 30 EFEDHM CCC(C#N)(CC)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC001590367285 1093391982 /nfs/dbraw/zinc/39/19/82/1093391982.db2.gz KRHSOWPEIAUNJU-GFCCVEGCSA-N -1 3 343.387 2.507 20 30 EFEDHM CCC(C#N)(CC)C(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001590367103 1093392170 /nfs/dbraw/zinc/39/21/70/1093392170.db2.gz BNEFYYDPVWVAIN-UHFFFAOYSA-N -1 3 335.371 2.683 20 30 EFEDHM CCC(C#N)(CC)C(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001590367103 1093392179 /nfs/dbraw/zinc/39/21/79/1093392179.db2.gz BNEFYYDPVWVAIN-UHFFFAOYSA-N -1 3 335.371 2.683 20 30 EFEDHM CC[C@@H](CC#N)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001590419317 1093413546 /nfs/dbraw/zinc/41/35/46/1093413546.db2.gz JOJYEOYJNUSEER-LBPRGKRZSA-N -1 3 325.376 2.558 20 30 EFEDHM CC[C@@H](CC#N)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001590419317 1093413553 /nfs/dbraw/zinc/41/35/53/1093413553.db2.gz JOJYEOYJNUSEER-LBPRGKRZSA-N -1 3 325.376 2.558 20 30 EFEDHM CCCCCCCNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001590592307 1093503151 /nfs/dbraw/zinc/50/31/51/1093503151.db2.gz MLJJEPTWSZJHAI-ZDUSSCGKSA-N -1 3 331.420 2.721 20 30 EFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC(C)(C)C#N ZINC001590640687 1093528772 /nfs/dbraw/zinc/52/87/72/1093528772.db2.gz VKTGAIUCHQUBGX-UHFFFAOYSA-N -1 3 327.392 2.567 20 30 EFEDHM CCOC1CC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC001590786106 1093571706 /nfs/dbraw/zinc/57/17/06/1093571706.db2.gz BIDZMBLENUNCAB-UHFFFAOYSA-N -1 3 340.309 2.852 20 30 EFEDHM CCOC1CC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001590786106 1093571712 /nfs/dbraw/zinc/57/17/12/1093571712.db2.gz BIDZMBLENUNCAB-UHFFFAOYSA-N -1 3 340.309 2.852 20 30 EFEDHM CCOc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC001590827295 1093583368 /nfs/dbraw/zinc/58/33/68/1093583368.db2.gz ZVNOBDKUJBNQIA-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM CCOc1cc(C#N)ccc1OC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001590825858 1093583959 /nfs/dbraw/zinc/58/39/59/1093583959.db2.gz YCQUBVOXHPCVQG-UHFFFAOYSA-N -1 3 349.350 2.665 20 30 EFEDHM CCOc1cc(C#N)ccc1OC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001590825858 1093583968 /nfs/dbraw/zinc/58/39/68/1093583968.db2.gz YCQUBVOXHPCVQG-UHFFFAOYSA-N -1 3 349.350 2.665 20 30 EFEDHM CCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)c1 ZINC001590843328 1093595259 /nfs/dbraw/zinc/59/52/59/1093595259.db2.gz SHEVTUMLXJTBKX-RIYZIHGNSA-N -1 3 347.378 2.873 20 30 EFEDHM CCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)c1 ZINC001590843328 1093595264 /nfs/dbraw/zinc/59/52/64/1093595264.db2.gz SHEVTUMLXJTBKX-RIYZIHGNSA-N -1 3 347.378 2.873 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C#N)ccc1C ZINC001590876723 1093608924 /nfs/dbraw/zinc/60/89/24/1093608924.db2.gz BSVQVUKHCQVYHF-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C#N)ccc1C ZINC001590876723 1093608931 /nfs/dbraw/zinc/60/89/31/1093608931.db2.gz BSVQVUKHCQVYHF-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1nn(C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001590929250 1093635401 /nfs/dbraw/zinc/63/54/01/1093635401.db2.gz CMDFRKJNMNWHDV-FNORWQNLSA-N -1 3 342.790 2.712 20 30 EFEDHM CCc1nn(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001590929250 1093635404 /nfs/dbraw/zinc/63/54/04/1093635404.db2.gz CMDFRKJNMNWHDV-FNORWQNLSA-N -1 3 342.790 2.712 20 30 EFEDHM CN(C(=O)CC1(C#N)CCCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001590978453 1093644730 /nfs/dbraw/zinc/64/47/30/1093644730.db2.gz QNQPYBKCHRUFAN-UHFFFAOYSA-N -1 3 342.378 2.833 20 30 EFEDHM CN(C(=O)CC1(C#N)CCCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001590978453 1093644732 /nfs/dbraw/zinc/64/47/32/1093644732.db2.gz QNQPYBKCHRUFAN-UHFFFAOYSA-N -1 3 342.378 2.833 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC001590985171 1093646170 /nfs/dbraw/zinc/64/61/70/1093646170.db2.gz JPICKQYVWINDKE-MFKMUULPSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC001590985171 1093646173 /nfs/dbraw/zinc/64/61/73/1093646173.db2.gz JPICKQYVWINDKE-MFKMUULPSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CCC[C@H]1C#N ZINC001590985168 1093646666 /nfs/dbraw/zinc/64/66/66/1093646666.db2.gz JPICKQYVWINDKE-GWCFXTLKSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CCC[C@H]1C#N ZINC001590985168 1093646671 /nfs/dbraw/zinc/64/66/71/1093646671.db2.gz JPICKQYVWINDKE-GWCFXTLKSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCC[C@H]1C#N ZINC001590985170 1093646999 /nfs/dbraw/zinc/64/69/99/1093646999.db2.gz JPICKQYVWINDKE-GXFFZTMASA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCC[C@H]1C#N ZINC001590985170 1093647002 /nfs/dbraw/zinc/64/70/02/1093647002.db2.gz JPICKQYVWINDKE-GXFFZTMASA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C)c1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1F ZINC001591032530 1093655293 /nfs/dbraw/zinc/65/52/93/1093655293.db2.gz QXVMQYMQKZYCNZ-UHFFFAOYSA-N -1 3 337.362 2.556 20 30 EFEDHM CN(C)c1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1F ZINC001591032530 1093655295 /nfs/dbraw/zinc/65/52/95/1093655295.db2.gz QXVMQYMQKZYCNZ-UHFFFAOYSA-N -1 3 337.362 2.556 20 30 EFEDHM CN(CC(C)(C)C#N)c1cccc(Br)c1-c1nnn[n-]1 ZINC001591042634 1093657146 /nfs/dbraw/zinc/65/71/46/1093657146.db2.gz QELHBHHDWXWZOZ-UHFFFAOYSA-N -1 3 335.209 2.615 20 30 EFEDHM CN(CC(C)(C)C#N)c1cccc(Br)c1-c1nn[n-]n1 ZINC001591042634 1093657148 /nfs/dbraw/zinc/65/71/48/1093657148.db2.gz QELHBHHDWXWZOZ-UHFFFAOYSA-N -1 3 335.209 2.615 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](CC#N)c1ccccc1 ZINC001591132423 1093667828 /nfs/dbraw/zinc/66/78/28/1093667828.db2.gz NHFHQYHUKZPEJB-QGZVFWFLSA-N -1 3 346.394 2.523 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](CC#N)c1ccccc1 ZINC001591132423 1093667833 /nfs/dbraw/zinc/66/78/33/1093667833.db2.gz NHFHQYHUKZPEJB-QGZVFWFLSA-N -1 3 346.394 2.523 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC1(C#N)CCCCC1 ZINC001591133143 1093668151 /nfs/dbraw/zinc/66/81/51/1093668151.db2.gz WLQPEXZDLZXTLM-UHFFFAOYSA-N -1 3 338.415 2.689 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC1(C#N)CCCCC1 ZINC001591133143 1093668155 /nfs/dbraw/zinc/66/81/55/1093668155.db2.gz WLQPEXZDLZXTLM-UHFFFAOYSA-N -1 3 338.415 2.689 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)[C@H]1CCC[C@@H]1C#N ZINC001591136702 1093671034 /nfs/dbraw/zinc/67/10/34/1093671034.db2.gz JEBXLQLFTOFKEJ-YPMHNXCESA-N -1 3 348.357 2.592 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)[C@H]1CCC[C@@H]1C#N ZINC001591136702 1093671035 /nfs/dbraw/zinc/67/10/35/1093671035.db2.gz JEBXLQLFTOFKEJ-YPMHNXCESA-N -1 3 348.357 2.592 20 30 EFEDHM CN(Cc1nc2ccccc2s1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591153106 1093675832 /nfs/dbraw/zinc/67/58/32/1093675832.db2.gz XJYLSYDMVHDTSF-UHFFFAOYSA-N -1 3 347.407 2.984 20 30 EFEDHM CN(Cc1nc2ccccc2s1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591153106 1093675834 /nfs/dbraw/zinc/67/58/34/1093675834.db2.gz XJYLSYDMVHDTSF-UHFFFAOYSA-N -1 3 347.407 2.984 20 30 EFEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001591224359 1093679976 /nfs/dbraw/zinc/67/99/76/1093679976.db2.gz WLHYTONRKDSMPK-CQSZACIVSA-N -1 3 347.382 2.544 20 30 EFEDHM CO[C@@](C)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001591317515 1093689918 /nfs/dbraw/zinc/68/99/18/1093689918.db2.gz FMRQRONJEXFTME-SFHVURJKSA-N -1 3 334.383 2.712 20 30 EFEDHM CO[C@@](C)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001591317515 1093689924 /nfs/dbraw/zinc/68/99/24/1093689924.db2.gz FMRQRONJEXFTME-SFHVURJKSA-N -1 3 334.383 2.712 20 30 EFEDHM COC1(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCCCC1 ZINC001591340303 1093698775 /nfs/dbraw/zinc/69/87/75/1093698775.db2.gz MZAABPZIGMSSHL-UHFFFAOYSA-N -1 3 335.799 2.662 20 30 EFEDHM COC1(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCCCC1 ZINC001591340303 1093698780 /nfs/dbraw/zinc/69/87/80/1093698780.db2.gz MZAABPZIGMSSHL-UHFFFAOYSA-N -1 3 335.799 2.662 20 30 EFEDHM CO[C@H]1CCCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC001591352929 1093702660 /nfs/dbraw/zinc/70/26/60/1093702660.db2.gz DCDXZEIVMFRUNO-NSHDSACASA-N -1 3 335.799 2.662 20 30 EFEDHM CO[C@H]1CCCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC001591352929 1093702664 /nfs/dbraw/zinc/70/26/64/1093702664.db2.gz DCDXZEIVMFRUNO-NSHDSACASA-N -1 3 335.799 2.662 20 30 EFEDHM COCC(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC001591363856 1093707296 /nfs/dbraw/zinc/70/72/96/1093707296.db2.gz ISMRRKGAJVDASZ-UHFFFAOYSA-N -1 3 342.790 2.983 20 30 EFEDHM COCC(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC001591363856 1093707299 /nfs/dbraw/zinc/70/72/99/1093707299.db2.gz ISMRRKGAJVDASZ-UHFFFAOYSA-N -1 3 342.790 2.983 20 30 EFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCCC#N ZINC001591477813 1093732804 /nfs/dbraw/zinc/73/28/04/1093732804.db2.gz NYTZOGVUWCHQJY-UHFFFAOYSA-N -1 3 335.751 2.518 20 30 EFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCCC#N ZINC001591477813 1093732809 /nfs/dbraw/zinc/73/28/09/1093732809.db2.gz NYTZOGVUWCHQJY-UHFFFAOYSA-N -1 3 335.751 2.518 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(CCC#N)cc1 ZINC001591483253 1093735854 /nfs/dbraw/zinc/73/58/54/1093735854.db2.gz DXRPDJBDSMPRQB-UHFFFAOYSA-N -1 3 348.366 2.584 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(CCC#N)cc1 ZINC001591483253 1093735863 /nfs/dbraw/zinc/73/58/63/1093735863.db2.gz DXRPDJBDSMPRQB-UHFFFAOYSA-N -1 3 348.366 2.584 20 30 EFEDHM COc1cc(C#N)cc(Cl)c1OCc1cccc(-c2nnn[n-]2)c1 ZINC001591507358 1093744999 /nfs/dbraw/zinc/74/49/99/1093744999.db2.gz YPNBRRWZSHEIAF-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C#N)cc(Cl)c1OCc1cccc(-c2nn[n-]n2)c1 ZINC001591507358 1093745005 /nfs/dbraw/zinc/74/50/05/1093745005.db2.gz YPNBRRWZSHEIAF-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C#N)cc(OCc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC001591507310 1093745206 /nfs/dbraw/zinc/74/52/06/1093745206.db2.gz VTMBAGRHHQNUOX-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C#N)cc(OCc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC001591507310 1093745212 /nfs/dbraw/zinc/74/52/12/1093745212.db2.gz VTMBAGRHHQNUOX-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C=NNc2cc(F)cc(F)c2)ccc1-c1nnn[n-]1 ZINC001591522969 1093751074 /nfs/dbraw/zinc/75/10/74/1093751074.db2.gz NRAYCCDQCBOMNX-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1cc(C=NNc2cc(F)cc(F)c2)ccc1-c1nn[n-]n1 ZINC001591522969 1093751078 /nfs/dbraw/zinc/75/10/78/1093751078.db2.gz NRAYCCDQCBOMNX-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC001591554639 1093767807 /nfs/dbraw/zinc/76/78/07/1093767807.db2.gz FZYDGMGJCUTNDK-MLPAPPSSSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC001591554639 1093767811 /nfs/dbraw/zinc/76/78/11/1093767811.db2.gz FZYDGMGJCUTNDK-MLPAPPSSSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC001591571358 1093776666 /nfs/dbraw/zinc/77/66/66/1093776666.db2.gz JNIFZXSMWRHJQO-WEVVVXLNSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC001591571358 1093776675 /nfs/dbraw/zinc/77/66/75/1093776675.db2.gz JNIFZXSMWRHJQO-WEVVVXLNSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1OC ZINC001591582508 1093781289 /nfs/dbraw/zinc/78/12/89/1093781289.db2.gz BAQZXDKOLKEJNA-AUWJEWJLSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1OC ZINC001591582508 1093781294 /nfs/dbraw/zinc/78/12/94/1093781294.db2.gz BAQZXDKOLKEJNA-AUWJEWJLSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(OC)c(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1 ZINC001591619239 1093800087 /nfs/dbraw/zinc/80/00/87/1093800087.db2.gz HOMVLBICAUYGPU-RIYZIHGNSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(OC)c(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1 ZINC001591619239 1093800096 /nfs/dbraw/zinc/80/00/96/1093800096.db2.gz HOMVLBICAUYGPU-RIYZIHGNSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(OC)c(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591619534 1093801799 /nfs/dbraw/zinc/80/17/99/1093801799.db2.gz LDPRWQOXRNIGMM-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001591655981 1093820058 /nfs/dbraw/zinc/82/00/58/1093820058.db2.gz KMYLULJNEXUNCN-AATRIKPKSA-N -1 3 330.344 2.972 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001591655981 1093820060 /nfs/dbraw/zinc/82/00/60/1093820060.db2.gz KMYLULJNEXUNCN-AATRIKPKSA-N -1 3 330.344 2.972 20 30 EFEDHM COc1ncc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC001591663203 1093821575 /nfs/dbraw/zinc/82/15/75/1093821575.db2.gz ZFKJQAIOCBYJLN-NSCUHMNNSA-N -1 3 347.787 2.881 20 30 EFEDHM COc1ncc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC001591663203 1093821582 /nfs/dbraw/zinc/82/15/82/1093821582.db2.gz ZFKJQAIOCBYJLN-NSCUHMNNSA-N -1 3 347.787 2.881 20 30 EFEDHM COc1ccsc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001591659659 1093822813 /nfs/dbraw/zinc/82/28/13/1093822813.db2.gz PFGUAJNFYGEFIP-YFHOEESVSA-N -1 3 339.380 2.544 20 30 EFEDHM COc1ccsc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001591659659 1093822819 /nfs/dbraw/zinc/82/28/19/1093822819.db2.gz PFGUAJNFYGEFIP-YFHOEESVSA-N -1 3 339.380 2.544 20 30 EFEDHM CSCCON=Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001591701665 1093833744 /nfs/dbraw/zinc/83/37/44/1093833744.db2.gz ZALIEPVFBSKSLZ-UHFFFAOYSA-N -1 3 331.323 2.599 20 30 EFEDHM CSCCON=Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001591701665 1093833750 /nfs/dbraw/zinc/83/37/50/1093833750.db2.gz ZALIEPVFBSKSLZ-UHFFFAOYSA-N -1 3 331.323 2.599 20 30 EFEDHM Cc1c(C(=O)C=Cc2csc(-c3nnn[n-]3)c2)cnn1C(C)C ZINC001591802066 1093863448 /nfs/dbraw/zinc/86/34/48/1093863448.db2.gz PSYLURXTGWVOFH-SNAWJCMRSA-N -1 3 328.401 2.910 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001591802145 1093863474 /nfs/dbraw/zinc/86/34/74/1093863474.db2.gz RJAHGOZQOFEILS-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001591802145 1093863477 /nfs/dbraw/zinc/86/34/77/1093863477.db2.gz RJAHGOZQOFEILS-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1C(C)C ZINC001591802189 1093865643 /nfs/dbraw/zinc/86/56/43/1093865643.db2.gz UFVOQOPQYSQNHY-XQRVVYSFSA-N -1 3 328.401 2.910 20 30 EFEDHM Cc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC001591812852 1093868125 /nfs/dbraw/zinc/86/81/25/1093868125.db2.gz KFLPBSCVZMMUQR-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c(C(=O)O[C@H](C)c2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC001591812852 1093868128 /nfs/dbraw/zinc/86/81/28/1093868128.db2.gz KFLPBSCVZMMUQR-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c(Cl)cnc(NCC2CCC(C#N)CC2)c1-c1nnn[n-]1 ZINC001591821872 1093871594 /nfs/dbraw/zinc/87/15/94/1093871594.db2.gz MGLTYGPBSQNHKE-UHFFFAOYSA-N -1 3 331.811 2.965 20 30 EFEDHM Cc1c(Cl)cnc(NCC2CCC(C#N)CC2)c1-c1nn[n-]n1 ZINC001591821872 1093871599 /nfs/dbraw/zinc/87/15/99/1093871599.db2.gz MGLTYGPBSQNHKE-UHFFFAOYSA-N -1 3 331.811 2.965 20 30 EFEDHM Cc1c(Cl)cnc(N2Cc3cccc(C#N)c3C2)c1-c1nnn[n-]1 ZINC001591821484 1093872723 /nfs/dbraw/zinc/87/27/23/1093872723.db2.gz XHFLUGYLZVESLZ-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1c(Cl)cnc(N2Cc3cccc(C#N)c3C2)c1-c1nn[n-]n1 ZINC001591821484 1093872729 /nfs/dbraw/zinc/87/27/29/1093872729.db2.gz XHFLUGYLZVESLZ-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)O[C@H](C)CC(C)(C)C#N ZINC001591838594 1093877827 /nfs/dbraw/zinc/87/78/27/1093877827.db2.gz DYEYYXULAZOXFH-GFCCVEGCSA-N -1 3 327.388 2.969 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)O[C@H](C)CC(C)(C)C#N ZINC001591838594 1093877831 /nfs/dbraw/zinc/87/78/31/1093877831.db2.gz DYEYYXULAZOXFH-GFCCVEGCSA-N -1 3 327.388 2.969 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=CC(=O)c1cc2n(n1)CCCC2 ZINC001591840480 1093879977 /nfs/dbraw/zinc/87/99/77/1093879977.db2.gz XTUOCYCLIDHIGT-SREVYHEPSA-N -1 3 348.410 2.912 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=CC(=O)c1cc2n(n1)CCCC2 ZINC001591840480 1093879984 /nfs/dbraw/zinc/87/99/84/1093879984.db2.gz XTUOCYCLIDHIGT-SREVYHEPSA-N -1 3 348.410 2.912 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCc2c(C#N)cccc21 ZINC001591861295 1093899110 /nfs/dbraw/zinc/89/91/10/1093899110.db2.gz ACMLAYAZLWKSJP-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCc2c(C#N)cccc21 ZINC001591861295 1093899120 /nfs/dbraw/zinc/89/91/20/1093899120.db2.gz ACMLAYAZLWKSJP-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1cc(Br)c(N(C)C[C@H](C)C#N)c(-c2nnn[n-]2)c1 ZINC001591904730 1093911574 /nfs/dbraw/zinc/91/15/74/1093911574.db2.gz IODVKEJCGFPGFP-SECBINFHSA-N -1 3 335.209 2.534 20 30 EFEDHM Cc1cc(Br)c(N(C)C[C@H](C)C#N)c(-c2nn[n-]n2)c1 ZINC001591904730 1093911578 /nfs/dbraw/zinc/91/15/78/1093911578.db2.gz IODVKEJCGFPGFP-SECBINFHSA-N -1 3 335.209 2.534 20 30 EFEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(S[C@@H](C#N)C2CC2)n1 ZINC001591940494 1093925164 /nfs/dbraw/zinc/92/51/64/1093925164.db2.gz RFGVZNFRORWWML-VIFPVBQESA-N -1 3 340.334 2.983 20 30 EFEDHM Cc1cc(COC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)ccc1C#N ZINC001591971024 1093938627 /nfs/dbraw/zinc/93/86/27/1093938627.db2.gz AUTAJTAAPVMEPE-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(COC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)ccc1C#N ZINC001591971024 1093938630 /nfs/dbraw/zinc/93/86/30/1093938630.db2.gz AUTAJTAAPVMEPE-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc(Cl)n1 ZINC001591969843 1093938827 /nfs/dbraw/zinc/93/88/27/1093938827.db2.gz QKIYFIVFVGKNOU-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc(Cl)n1 ZINC001591969843 1093938830 /nfs/dbraw/zinc/93/88/30/1093938830.db2.gz QKIYFIVFVGKNOU-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1cc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001591971405 1093940624 /nfs/dbraw/zinc/94/06/24/1093940624.db2.gz DJDQBTOQSAUCET-UHFFFAOYSA-N -1 3 347.378 2.723 20 30 EFEDHM Cc1cc(COC(=O)CCc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001591971405 1093940626 /nfs/dbraw/zinc/94/06/26/1093940626.db2.gz DJDQBTOQSAUCET-UHFFFAOYSA-N -1 3 347.378 2.723 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1cc(C#N)ccc1F ZINC001591986154 1093948007 /nfs/dbraw/zinc/94/80/07/1093948007.db2.gz HPRDEBBAPNPCEK-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)ccc1F ZINC001591986154 1093948011 /nfs/dbraw/zinc/94/80/11/1093948011.db2.gz HPRDEBBAPNPCEK-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001592023619 1093956753 /nfs/dbraw/zinc/95/67/53/1093956753.db2.gz FKJOENZQHRKFGI-LBPRGKRZSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001592023619 1093956760 /nfs/dbraw/zinc/95/67/60/1093956760.db2.gz FKJOENZQHRKFGI-LBPRGKRZSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)cc(-c2nnn[n-]2)c1 ZINC001592029899 1093960611 /nfs/dbraw/zinc/96/06/11/1093960611.db2.gz NZZVTXGFUBATMU-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)cc(-c2nn[n-]n2)c1 ZINC001592029899 1093960614 /nfs/dbraw/zinc/96/06/14/1093960614.db2.gz NZZVTXGFUBATMU-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(NCc2ccc(CC#N)cc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592052147 1093967756 /nfs/dbraw/zinc/96/77/56/1093967756.db2.gz GOSDGJWXYYJQOI-UHFFFAOYSA-N -1 3 349.354 2.762 20 30 EFEDHM Cc1cc(NCc2ccc(CC#N)cc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592052147 1093967759 /nfs/dbraw/zinc/96/77/59/1093967759.db2.gz GOSDGJWXYYJQOI-UHFFFAOYSA-N -1 3 349.354 2.762 20 30 EFEDHM Cc1cc(SCC(=O)Cc2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001592067179 1093973261 /nfs/dbraw/zinc/97/32/61/1093973261.db2.gz QQYLXUKPYHENRM-UHFFFAOYSA-N -1 3 349.419 2.951 20 30 EFEDHM Cc1cc(SCC(=O)Cc2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001592067179 1093973265 /nfs/dbraw/zinc/97/32/65/1093973265.db2.gz QQYLXUKPYHENRM-UHFFFAOYSA-N -1 3 349.419 2.951 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC001592099028 1093979575 /nfs/dbraw/zinc/97/95/75/1093979575.db2.gz FYYXLCUJHGBPCR-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC001592099028 1093979577 /nfs/dbraw/zinc/97/95/77/1093979577.db2.gz FYYXLCUJHGBPCR-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1OCCCC1(C#N)CCOCC1 ZINC001592107958 1093983084 /nfs/dbraw/zinc/98/30/84/1093983084.db2.gz BFCDLHBAAMYGNN-UHFFFAOYSA-N -1 3 327.388 2.655 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1OCCCC1(C#N)CCOCC1 ZINC001592107958 1093983088 /nfs/dbraw/zinc/98/30/88/1093983088.db2.gz BFCDLHBAAMYGNN-UHFFFAOYSA-N -1 3 327.388 2.655 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001592106877 1093983154 /nfs/dbraw/zinc/98/31/54/1093983154.db2.gz FHVPCUNEXMACGJ-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c(C#N)c(F)c1 ZINC001592106877 1093983157 /nfs/dbraw/zinc/98/31/57/1093983157.db2.gz FHVPCUNEXMACGJ-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001592113182 1093984273 /nfs/dbraw/zinc/98/42/73/1093984273.db2.gz HQNQWPGQPUYSAI-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001592113182 1093984276 /nfs/dbraw/zinc/98/42/76/1093984276.db2.gz HQNQWPGQPUYSAI-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1ccc(C(=O)N2CCCc3cc(C#N)ccc32)cc1-c1nnn[n-]1 ZINC001592119999 1093987717 /nfs/dbraw/zinc/98/77/17/1093987717.db2.gz JAWZFDUVRLIFTL-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1ccc(C(=O)N2CCCc3cc(C#N)ccc32)cc1-c1nn[n-]n1 ZINC001592119999 1093987722 /nfs/dbraw/zinc/98/77/22/1093987722.db2.gz JAWZFDUVRLIFTL-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC001592132473 1093990569 /nfs/dbraw/zinc/99/05/69/1093990569.db2.gz JRLVWZBKICBQEE-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC001592132473 1093990574 /nfs/dbraw/zinc/99/05/74/1093990574.db2.gz JRLVWZBKICBQEE-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C(=O)OCc2cccc(C#N)c2F)cc1-c1nnn[n-]1 ZINC001592133666 1093991813 /nfs/dbraw/zinc/99/18/13/1093991813.db2.gz RWARWWUNYXZMGR-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C(=O)OCc2cccc(C#N)c2F)cc1-c1nn[n-]n1 ZINC001592133666 1093991814 /nfs/dbraw/zinc/99/18/14/1093991814.db2.gz RWARWWUNYXZMGR-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(CN2CCCc3cc(-c4nn[n-]n4)ccc32)cc1C#N ZINC001592154997 1094003032 /nfs/dbraw/zinc/00/30/32/1094003032.db2.gz NAGMGYYFBJDCBL-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1ccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1C#N ZINC001592162170 1094008933 /nfs/dbraw/zinc/00/89/33/1094008933.db2.gz AXNOFLHVEJQTKH-UHFFFAOYSA-N -1 3 347.382 2.677 20 30 EFEDHM Cc1ccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1C#N ZINC001592162170 1094008938 /nfs/dbraw/zinc/00/89/38/1094008938.db2.gz AXNOFLHVEJQTKH-UHFFFAOYSA-N -1 3 347.382 2.677 20 30 EFEDHM Cc1ccccc1OCCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592261437 1094057449 /nfs/dbraw/zinc/05/74/49/1094057449.db2.gz HFLISDVMVQMXPV-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM Cc1ccccc1OCCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592261437 1094057457 /nfs/dbraw/zinc/05/74/57/1094057457.db2.gz HFLISDVMVQMXPV-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM Cc1ccnc(N[C@H]2CCCc3cc(C#N)ccc32)c1-c1nnn[n-]1 ZINC001592272792 1094060325 /nfs/dbraw/zinc/06/03/25/1094060325.db2.gz NEVQZENDRDDIMY-HNNXBMFYSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccnc(N[C@H]2CCCc3cc(C#N)ccc32)c1-c1nn[n-]n1 ZINC001592272792 1094060331 /nfs/dbraw/zinc/06/03/31/1094060331.db2.gz NEVQZENDRDDIMY-HNNXBMFYSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2cccc(C#N)c2)n1 ZINC001592353585 1094085222 /nfs/dbraw/zinc/08/52/22/1094085222.db2.gz DLGMBHDTZSHJFA-SNVBAGLBSA-N -1 3 337.412 2.999 20 30 EFEDHM Cc1nc(C(=O)OCCC2(C#N)CCCCC2)ccc1-c1nnn[n-]1 ZINC001592352189 1094085860 /nfs/dbraw/zinc/08/58/60/1094085860.db2.gz ORSNOMPYLZJZIU-UHFFFAOYSA-N -1 3 340.387 2.591 20 30 EFEDHM Cc1nc(C(=O)OCCC2(C#N)CCCCC2)ccc1-c1nn[n-]n1 ZINC001592352189 1094085866 /nfs/dbraw/zinc/08/58/66/1094085866.db2.gz ORSNOMPYLZJZIU-UHFFFAOYSA-N -1 3 340.387 2.591 20 30 EFEDHM Cc1nc(N(CCC#N)CC(C)(C)C)c(Cl)cc1-c1nnn[n-]1 ZINC001592365285 1094090254 /nfs/dbraw/zinc/09/02/54/1094090254.db2.gz HIRHZWAVHRIVTF-UHFFFAOYSA-N -1 3 333.827 2.990 20 30 EFEDHM Cc1nc(N(CCC#N)CC(C)(C)C)c(Cl)cc1-c1nn[n-]n1 ZINC001592365285 1094090262 /nfs/dbraw/zinc/09/02/62/1094090262.db2.gz HIRHZWAVHRIVTF-UHFFFAOYSA-N -1 3 333.827 2.990 20 30 EFEDHM Cc1nc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)c(Cl)cc1C#N ZINC001592374322 1094090370 /nfs/dbraw/zinc/09/03/70/1094090370.db2.gz RQBMTJDMNSLEGU-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1nc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)c(Cl)cc1C#N ZINC001592374322 1094090375 /nfs/dbraw/zinc/09/03/75/1094090375.db2.gz RQBMTJDMNSLEGU-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1nc(NCC2CCC(C#N)CC2)c(Cl)cc1-c1nnn[n-]1 ZINC001592387813 1094096792 /nfs/dbraw/zinc/09/67/92/1094096792.db2.gz LPJXVPTTZTWFCA-UHFFFAOYSA-N -1 3 331.811 2.965 20 30 EFEDHM Cc1nc(NCC2CCC(C#N)CC2)c(Cl)cc1-c1nn[n-]n1 ZINC001592387813 1094096799 /nfs/dbraw/zinc/09/67/99/1094096799.db2.gz LPJXVPTTZTWFCA-UHFFFAOYSA-N -1 3 331.811 2.965 20 30 EFEDHM Cc1sc(NC(=O)[C@]2(C#N)CC23CCCC3)c(-c2nnn[n-]2)c1C ZINC001592518391 1094118226 /nfs/dbraw/zinc/11/82/26/1094118226.db2.gz ANBMBSSZBHDKOA-MRXNPFEDSA-N -1 3 342.428 2.958 20 30 EFEDHM Cc1sc(NC(=O)[C@]2(C#N)CC23CCCC3)c(-c2nn[n-]n2)c1C ZINC001592518391 1094118228 /nfs/dbraw/zinc/11/82/28/1094118228.db2.gz ANBMBSSZBHDKOA-MRXNPFEDSA-N -1 3 342.428 2.958 20 30 EFEDHM Cc1sc(NC(=O)c2sccc2-c2nnn[n-]2)c(C#N)c1C ZINC001592520664 1094119317 /nfs/dbraw/zinc/11/93/17/1094119317.db2.gz XRVWJDDXGYOCKI-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Cc1sc(NC(=O)c2cccc(-c3nnn[n-]3)c2C)c(C#N)c1C ZINC001592521483 1094119595 /nfs/dbraw/zinc/11/95/95/1094119595.db2.gz WCTFVYOMIGFWLM-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1sc(NC(=O)c2cccc(-c3nn[n-]n3)c2C)c(C#N)c1C ZINC001592521483 1094119598 /nfs/dbraw/zinc/11/95/98/1094119598.db2.gz WCTFVYOMIGFWLM-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C(F)F)n1 ZINC001592567423 1094134615 /nfs/dbraw/zinc/13/46/15/1094134615.db2.gz XZEYWEBCSFWWMD-HWKANZROSA-N -1 3 348.288 2.573 20 30 EFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C(F)F)n1 ZINC001592567423 1094134617 /nfs/dbraw/zinc/13/46/17/1094134617.db2.gz XZEYWEBCSFWWMD-HWKANZROSA-N -1 3 348.288 2.573 20 30 EFEDHM Cn1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c(C(C)(C)C)n1 ZINC001592566639 1094134753 /nfs/dbraw/zinc/13/47/53/1094134753.db2.gz CVIVIPKFPFTQOB-JYRVWZFOSA-N -1 3 348.410 2.720 20 30 EFEDHM Cn1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c(C(C)(C)C)n1 ZINC001592566639 1094134755 /nfs/dbraw/zinc/13/47/55/1094134755.db2.gz CVIVIPKFPFTQOB-JYRVWZFOSA-N -1 3 348.410 2.720 20 30 EFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C(F)F)n1 ZINC001592567425 1094136435 /nfs/dbraw/zinc/13/64/35/1094136435.db2.gz XZEYWEBCSFWWMD-HYXAFXHYSA-N -1 3 348.288 2.573 20 30 EFEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C(F)F)n1 ZINC001592567425 1094136437 /nfs/dbraw/zinc/13/64/37/1094136437.db2.gz XZEYWEBCSFWWMD-HYXAFXHYSA-N -1 3 348.288 2.573 20 30 EFEDHM Fc1cc(NN=C2CCCCc3cc(-c4nn[n-]n4)ccc32)ccn1 ZINC001592643023 1094157429 /nfs/dbraw/zinc/15/74/29/1094157429.db2.gz LGDKUVMRAPVDNG-UHFFFAOYSA-N -1 3 337.362 2.943 20 30 EFEDHM N#CC1(CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001592666155 1094172847 /nfs/dbraw/zinc/17/28/47/1094172847.db2.gz CJHDVEKAARXULJ-UHFFFAOYSA-N -1 3 329.335 2.775 20 30 EFEDHM N#CC1(CC(=O)Oc2ccc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001592666155 1094172850 /nfs/dbraw/zinc/17/28/50/1094172850.db2.gz CJHDVEKAARXULJ-UHFFFAOYSA-N -1 3 329.335 2.775 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1CCCCC1 ZINC001592669122 1094173181 /nfs/dbraw/zinc/17/31/81/1094173181.db2.gz QBJWIOCRUGOUQE-INIZCTEOSA-N -1 3 339.399 2.672 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1CCCCC1 ZINC001592669122 1094173190 /nfs/dbraw/zinc/17/31/90/1094173190.db2.gz QBJWIOCRUGOUQE-INIZCTEOSA-N -1 3 339.399 2.672 20 30 EFEDHM N#CC1(CNc2ncc(-c3nnn[n-]3)c3ccsc32)CCCC1 ZINC001592669849 1094173203 /nfs/dbraw/zinc/17/32/03/1094173203.db2.gz OICQGQHDCBXXJI-UHFFFAOYSA-N -1 3 325.401 2.972 20 30 EFEDHM N#CC1(CNc2ncc(-c3nn[n-]n3)c3ccsc32)CCCC1 ZINC001592669849 1094173208 /nfs/dbraw/zinc/17/32/08/1094173208.db2.gz OICQGQHDCBXXJI-UHFFFAOYSA-N -1 3 325.401 2.972 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC2CCC1CC2 ZINC001592666898 1094173554 /nfs/dbraw/zinc/17/35/54/1094173554.db2.gz MSMBDBJFXWNGQW-IGCAFJPESA-N -1 3 340.362 2.664 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC2CCC1CC2 ZINC001592666898 1094173556 /nfs/dbraw/zinc/17/35/56/1094173556.db2.gz MSMBDBJFXWNGQW-IGCAFJPESA-N -1 3 340.362 2.664 20 30 EFEDHM N#CC1(CNC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CCCCC1 ZINC001592669523 1094173697 /nfs/dbraw/zinc/17/36/97/1094173697.db2.gz XSWUQEZSWYZFSO-UHFFFAOYSA-N -1 3 343.366 2.601 20 30 EFEDHM N#CC1(CNC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CCCCC1 ZINC001592669523 1094173702 /nfs/dbraw/zinc/17/37/02/1094173702.db2.gz XSWUQEZSWYZFSO-UHFFFAOYSA-N -1 3 343.366 2.601 20 30 EFEDHM N#C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC12CCCC2 ZINC001592666671 1094173792 /nfs/dbraw/zinc/17/37/92/1094173792.db2.gz IZEWMJIOCZWOAE-INIZCTEOSA-N -1 3 342.790 2.933 20 30 EFEDHM N#C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC12CCCC2 ZINC001592666671 1094173793 /nfs/dbraw/zinc/17/37/93/1094173793.db2.gz IZEWMJIOCZWOAE-INIZCTEOSA-N -1 3 342.790 2.933 20 30 EFEDHM N#CCCCCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001592676426 1094174451 /nfs/dbraw/zinc/17/44/51/1094174451.db2.gz OEBUSSNHQFTMDW-UHFFFAOYSA-N -1 3 339.172 2.874 20 30 EFEDHM N#CCCCCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001592676426 1094174456 /nfs/dbraw/zinc/17/44/56/1094174456.db2.gz OEBUSSNHQFTMDW-UHFFFAOYSA-N -1 3 339.172 2.874 20 30 EFEDHM N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672682 1094174462 /nfs/dbraw/zinc/17/44/62/1094174462.db2.gz MIZFRZDTSWSZOA-BQDHKBFISA-N -1 3 337.383 2.596 20 30 EFEDHM N#C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592672682 1094174467 /nfs/dbraw/zinc/17/44/67/1094174467.db2.gz MIZFRZDTSWSZOA-BQDHKBFISA-N -1 3 337.383 2.596 20 30 EFEDHM N#CCC1(CNc2ccc(Br)c(-c3nnn[n-]3)c2)CC1 ZINC001592675974 1094174562 /nfs/dbraw/zinc/17/45/62/1094174562.db2.gz YGWPJPICQRQJDH-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CCC1(CNc2ccc(Br)c(-c3nn[n-]n3)c2)CC1 ZINC001592675974 1094174568 /nfs/dbraw/zinc/17/45/68/1094174568.db2.gz YGWPJPICQRQJDH-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CC1(Cn2cc(-c3ccc(-c4nnn[n-]4)cc3)nn2)CCCCC1 ZINC001592670536 1094174693 /nfs/dbraw/zinc/17/46/93/1094174693.db2.gz FEUXYKALTRJGOA-UHFFFAOYSA-N -1 3 334.387 2.599 20 30 EFEDHM N#CC1(Cn2cc(-c3ccc(-c4nn[n-]n4)cc3)nn2)CCCCC1 ZINC001592670536 1094174697 /nfs/dbraw/zinc/17/46/97/1094174697.db2.gz FEUXYKALTRJGOA-UHFFFAOYSA-N -1 3 334.387 2.599 20 30 EFEDHM N#CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC001592673848 1094174844 /nfs/dbraw/zinc/17/48/44/1094174844.db2.gz QGURTDKNKKJRJI-SNVBAGLBSA-N -1 3 347.220 2.759 20 30 EFEDHM N#CCCCOc1cccc(Nc2ncc(-c3nnn[n-]3)cc2F)c1 ZINC001592676491 1094175193 /nfs/dbraw/zinc/17/51/93/1094175193.db2.gz SIMHSCWPSJHPNB-UHFFFAOYSA-N -1 3 339.334 2.827 20 30 EFEDHM N#CCCCOc1cccc(Nc2ncc(-c3nn[n-]n3)cc2F)c1 ZINC001592676491 1094175197 /nfs/dbraw/zinc/17/51/97/1094175197.db2.gz SIMHSCWPSJHPNB-UHFFFAOYSA-N -1 3 339.334 2.827 20 30 EFEDHM N#CCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001592674984 1094175524 /nfs/dbraw/zinc/17/55/24/1094175524.db2.gz OBFSAOAOVNRYBQ-UHFFFAOYSA-N -1 3 325.376 2.559 20 30 EFEDHM N#CCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001592674984 1094175527 /nfs/dbraw/zinc/17/55/27/1094175527.db2.gz OBFSAOAOVNRYBQ-UHFFFAOYSA-N -1 3 325.376 2.559 20 30 EFEDHM N#CCc1ccsc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592681210 1094175820 /nfs/dbraw/zinc/17/58/20/1094175820.db2.gz YJPSEXQFLGWGFL-UHFFFAOYSA-N -1 3 344.787 2.900 20 30 EFEDHM N#CCc1ccsc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592681210 1094175825 /nfs/dbraw/zinc/17/58/25/1094175825.db2.gz YJPSEXQFLGWGFL-UHFFFAOYSA-N -1 3 344.787 2.900 20 30 EFEDHM N#CCCc1ccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001592677752 1094175950 /nfs/dbraw/zinc/17/59/50/1094175950.db2.gz GXLBIQBCEHMRES-UHFFFAOYSA-N -1 3 336.330 2.714 20 30 EFEDHM N#CCCc1ccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001592677752 1094175955 /nfs/dbraw/zinc/17/59/55/1094175955.db2.gz GXLBIQBCEHMRES-UHFFFAOYSA-N -1 3 336.330 2.714 20 30 EFEDHM N#CCc1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC001592680321 1094176032 /nfs/dbraw/zinc/17/60/32/1094176032.db2.gz VJLDTQKGZHPXLH-UHFFFAOYSA-N -1 3 325.763 2.593 20 30 EFEDHM N#CCc1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC001592680321 1094176036 /nfs/dbraw/zinc/17/60/36/1094176036.db2.gz VJLDTQKGZHPXLH-UHFFFAOYSA-N -1 3 325.763 2.593 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC/C=C/c1ccccc1 ZINC001592686349 1094176200 /nfs/dbraw/zinc/17/62/00/1094176200.db2.gz JGZRTYGCTRWTDZ-QPJJXVBHSA-N -1 3 335.396 2.521 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC/C=C/c1ccccc1 ZINC001592686349 1094176203 /nfs/dbraw/zinc/17/62/03/1094176203.db2.gz JGZRTYGCTRWTDZ-QPJJXVBHSA-N -1 3 335.396 2.521 20 30 EFEDHM N#CCc1ccc(NC(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)cc1 ZINC001592680398 1094176288 /nfs/dbraw/zinc/17/62/88/1094176288.db2.gz ZSNFOJXHXMMMEU-UHFFFAOYSA-N -1 3 343.350 2.666 20 30 EFEDHM N#CCc1ccc(NC(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)cc1 ZINC001592680398 1094176290 /nfs/dbraw/zinc/17/62/90/1094176290.db2.gz ZSNFOJXHXMMMEU-UHFFFAOYSA-N -1 3 343.350 2.666 20 30 EFEDHM N#CCOc1ccc(CN2CCCc3c(-c4nnn[n-]4)cccc32)cc1 ZINC001592678760 1094176749 /nfs/dbraw/zinc/17/67/49/1094176749.db2.gz OUXLIUXCSBSTHX-UHFFFAOYSA-N -1 3 346.394 2.722 20 30 EFEDHM N#CCOc1ccc(CN2CCCc3c(-c4nn[n-]n4)cccc32)cc1 ZINC001592678760 1094176751 /nfs/dbraw/zinc/17/67/51/1094176751.db2.gz OUXLIUXCSBSTHX-UHFFFAOYSA-N -1 3 346.394 2.722 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccccc2OC2CC2)ccc1-c1nnn[n-]1 ZINC001592689995 1094177406 /nfs/dbraw/zinc/17/74/06/1094177406.db2.gz IEHCFTOLGCPPAV-UHFFFAOYSA-N -1 3 346.350 2.532 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccccc2OC2CC2)ccc1-c1nn[n-]n1 ZINC001592689995 1094177409 /nfs/dbraw/zinc/17/74/09/1094177409.db2.gz IEHCFTOLGCPPAV-UHFFFAOYSA-N -1 3 346.350 2.532 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc3ccncc3s2)ccc1-c1nnn[n-]1 ZINC001592689257 1094177478 /nfs/dbraw/zinc/17/74/78/1094177478.db2.gz OYFFQIFOLYNBBT-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc3ccncc3s2)ccc1-c1nn[n-]n1 ZINC001592689257 1094177480 /nfs/dbraw/zinc/17/74/80/1094177480.db2.gz OYFFQIFOLYNBBT-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2cscc2-c2nnn[n-]2)nc2ccccc12 ZINC001592690144 1094177700 /nfs/dbraw/zinc/17/77/00/1094177700.db2.gz MZNTXVUVYKEPON-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2cscc2-c2nn[n-]n2)nc2ccccc12 ZINC001592690144 1094177704 /nfs/dbraw/zinc/17/77/04/1094177704.db2.gz MZNTXVUVYKEPON-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1F ZINC001592689814 1094177747 /nfs/dbraw/zinc/17/77/47/1094177747.db2.gz VCZAZCPIVJZOON-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1F ZINC001592689814 1094177749 /nfs/dbraw/zinc/17/77/49/1094177749.db2.gz VCZAZCPIVJZOON-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cc(Cl)cc(OCCOc2ccccc2-c2nnn[n-]2)c1 ZINC001592688371 1094177807 /nfs/dbraw/zinc/17/78/07/1094177807.db2.gz UVIUGGQZDFKSOQ-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1cc(Cl)cc(OCCOc2ccccc2-c2nn[n-]n2)c1 ZINC001592688371 1094177809 /nfs/dbraw/zinc/17/78/09/1094177809.db2.gz UVIUGGQZDFKSOQ-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccc(F)c(CN2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001592693423 1094179032 /nfs/dbraw/zinc/17/90/32/1094179032.db2.gz BRVWGWZGEGEPFG-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3c2CCCC3)ccc1-c1nnn[n-]1 ZINC001592690235 1094179142 /nfs/dbraw/zinc/17/91/42/1094179142.db2.gz SDTDZHABOAYCTL-UHFFFAOYSA-N -1 3 344.378 2.869 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3c2CCCC3)ccc1-c1nn[n-]n1 ZINC001592690235 1094179147 /nfs/dbraw/zinc/17/91/47/1094179147.db2.gz SDTDZHABOAYCTL-UHFFFAOYSA-N -1 3 344.378 2.869 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H](F)CC2CCCCC2)cc1-c1nnn[n-]1 ZINC001592695026 1094179276 /nfs/dbraw/zinc/17/92/76/1094179276.db2.gz GBUZPUSCCPPYPI-HNNXBMFYSA-N -1 3 342.378 2.985 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H](F)CC2CCCCC2)cc1-c1nn[n-]n1 ZINC001592695026 1094179281 /nfs/dbraw/zinc/17/92/81/1094179281.db2.gz GBUZPUSCCPPYPI-HNNXBMFYSA-N -1 3 342.378 2.985 20 30 EFEDHM N#Cc1ccc(CNCc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC001592693088 1094179365 /nfs/dbraw/zinc/17/93/65/1094179365.db2.gz ASHJINLVFDWYDC-UHFFFAOYSA-N -1 3 342.765 2.821 20 30 EFEDHM N#Cc1ccc(CNCc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC001592693088 1094179370 /nfs/dbraw/zinc/17/93/70/1094179370.db2.gz ASHJINLVFDWYDC-UHFFFAOYSA-N -1 3 342.765 2.821 20 30 EFEDHM N#Cc1ccc([C@@H](O)COc2cc(Cl)cc(-c3nnn[n-]3)c2)cc1 ZINC001592691345 1094179593 /nfs/dbraw/zinc/17/95/93/1094179593.db2.gz POMDCJLLHBKROD-HNNXBMFYSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1ccc([C@@H](O)COc2cc(Cl)cc(-c3nn[n-]n3)c2)cc1 ZINC001592691345 1094179598 /nfs/dbraw/zinc/17/95/98/1094179598.db2.gz POMDCJLLHBKROD-HNNXBMFYSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1ccc2c(c1)N(CCCOc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001592698156 1094180153 /nfs/dbraw/zinc/18/01/53/1094180153.db2.gz LGNKTEHNYKOEIS-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592697330 1094180252 /nfs/dbraw/zinc/18/02/52/1094180252.db2.gz GPHLMBRFNRZOPZ-OAHLLOKOSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592697330 1094180256 /nfs/dbraw/zinc/18/02/56/1094180256.db2.gz GPHLMBRFNRZOPZ-OAHLLOKOSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cscc2C(F)F)cc1-c1nnn[n-]1 ZINC001592696051 1094180267 /nfs/dbraw/zinc/18/02/67/1094180267.db2.gz AJIYHCWQCFFBOX-UHFFFAOYSA-N -1 3 346.322 2.990 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cscc2C(F)F)cc1-c1nn[n-]n1 ZINC001592696051 1094180274 /nfs/dbraw/zinc/18/02/74/1094180274.db2.gz AJIYHCWQCFFBOX-UHFFFAOYSA-N -1 3 346.322 2.990 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCn2c(cc3ccccc32)C1 ZINC001592698525 1094180416 /nfs/dbraw/zinc/18/04/16/1094180416.db2.gz BYIDMPWBXHCRFC-UHFFFAOYSA-N -1 3 341.378 2.713 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCn2c(cc3ccccc32)C1 ZINC001592698525 1094180420 /nfs/dbraw/zinc/18/04/20/1094180420.db2.gz BYIDMPWBXHCRFC-UHFFFAOYSA-N -1 3 341.378 2.713 20 30 EFEDHM N#Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1-c1nnn[n-]1 ZINC001592695526 1094180754 /nfs/dbraw/zinc/18/07/54/1094180754.db2.gz TVKUSGVOMFHYBH-UHFFFAOYSA-N -1 3 335.371 2.541 20 30 EFEDHM N#Cc1ccc(NC(=O)CC2(C#N)CCCCC2)cc1-c1nn[n-]n1 ZINC001592695526 1094180756 /nfs/dbraw/zinc/18/07/56/1094180756.db2.gz TVKUSGVOMFHYBH-UHFFFAOYSA-N -1 3 335.371 2.541 20 30 EFEDHM N#Cc1cccc(C(=O)N(c2ccc(-c3nnn[n-]3)cc2)C2CCC2)c1 ZINC001592700267 1094181542 /nfs/dbraw/zinc/18/15/42/1094181542.db2.gz AXPNHWNHXJFXOM-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1cccc(C(=O)N(c2ccc(-c3nn[n-]n3)cc2)C2CCC2)c1 ZINC001592700267 1094181544 /nfs/dbraw/zinc/18/15/44/1094181544.db2.gz AXPNHWNHXJFXOM-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cccc(-c2nnco2)c1 ZINC001592700684 1094181676 /nfs/dbraw/zinc/18/16/76/1094181676.db2.gz PMUSBCBFFPYZNT-UHFFFAOYSA-N -1 3 331.295 2.581 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cccc(-c2nnco2)c1 ZINC001592700684 1094181677 /nfs/dbraw/zinc/18/16/77/1094181677.db2.gz PMUSBCBFFPYZNT-UHFFFAOYSA-N -1 3 331.295 2.581 20 30 EFEDHM N#Cc1cnn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC001592704093 1094182835 /nfs/dbraw/zinc/18/28/35/1094182835.db2.gz SNCVECHZPCNVQO-UHFFFAOYSA-N -1 3 327.351 2.650 20 30 EFEDHM N#Cc1cnn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC001592704093 1094182839 /nfs/dbraw/zinc/18/28/39/1094182839.db2.gz SNCVECHZPCNVQO-UHFFFAOYSA-N -1 3 327.351 2.650 20 30 EFEDHM N#Cc1cnc(NCc2cccc(-c3nnn[n-]3)c2)c2sccc21 ZINC001592704452 1094183037 /nfs/dbraw/zinc/18/30/37/1094183037.db2.gz MJIZIBVRKOZHKZ-UHFFFAOYSA-N -1 3 333.380 2.960 20 30 EFEDHM N#Cc1cnc(NCc2cccc(-c3nn[n-]n3)c2)c2sccc21 ZINC001592704452 1094183040 /nfs/dbraw/zinc/18/30/40/1094183040.db2.gz MJIZIBVRKOZHKZ-UHFFFAOYSA-N -1 3 333.380 2.960 20 30 EFEDHM N#Cc1ccccc1OCCOc1ccc(-c2nnn[n-]2)cc1Cl ZINC001592701938 1094183379 /nfs/dbraw/zinc/18/33/79/1094183379.db2.gz RKCVFMCULPYJEE-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC001592701938 1094183382 /nfs/dbraw/zinc/18/33/82/1094183382.db2.gz RKCVFMCULPYJEE-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001592792082 1094187938 /nfs/dbraw/zinc/18/79/38/1094187938.db2.gz VCPLLHQXLNPCBY-FPYGCLRLSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001592792082 1094187940 /nfs/dbraw/zinc/18/79/40/1094187940.db2.gz VCPLLHQXLNPCBY-FPYGCLRLSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccnn1CC1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001592802157 1094190448 /nfs/dbraw/zinc/19/04/48/1094190448.db2.gz OUNAMFXYNNGBFK-BQYQJAHWSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1ccnn1CC1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001592802157 1094190452 /nfs/dbraw/zinc/19/04/52/1094190452.db2.gz OUNAMFXYNNGBFK-BQYQJAHWSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1cc(-c2nnn[n-]2)ccn1 ZINC001592802845 1094192530 /nfs/dbraw/zinc/19/25/30/1094192530.db2.gz ZWIJVYUQKLSTMZ-SNAWJCMRSA-N -1 3 338.396 2.882 20 30 EFEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1cc(-c2nn[n-]n2)ccn1 ZINC001592802845 1094192532 /nfs/dbraw/zinc/19/25/32/1094192532.db2.gz ZWIJVYUQKLSTMZ-SNAWJCMRSA-N -1 3 338.396 2.882 20 30 EFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Cc2nc(Cl)ccc21 ZINC001593376212 1094299897 /nfs/dbraw/zinc/29/98/97/1094299897.db2.gz CGQIXGIRZOEIBA-XVNBXDOJSA-N -1 3 329.772 2.799 20 30 EFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Cc2nc(Cl)ccc21 ZINC001593376212 1094299898 /nfs/dbraw/zinc/29/98/98/1094299898.db2.gz CGQIXGIRZOEIBA-XVNBXDOJSA-N -1 3 329.772 2.799 20 30 EFEDHM Cc1c(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC001600011317 1094718824 /nfs/dbraw/zinc/71/88/24/1094718824.db2.gz FCSJNGDCEMTEAD-INIZCTEOSA-N -1 3 325.324 2.690 20 30 EFEDHM Cc1cccc(N(CCC#N)C(=O)CN(C)C(C)(C)CC(=O)[O-])c1C ZINC001600538260 1095145829 /nfs/dbraw/zinc/14/58/29/1095145829.db2.gz WHSICJYQWHNWRA-UHFFFAOYSA-N -1 3 345.443 2.735 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(C(=O)[O-])c3)nc21 ZINC001600555922 1095161628 /nfs/dbraw/zinc/16/16/28/1095161628.db2.gz RVSNEFVNJNTXNQ-CQSZACIVSA-N -1 3 333.347 2.989 20 30 EFEDHM CC(C)(C)[C@H](CNc1ccc(C#N)nc1)NC(=O)c1ccccc1[O-] ZINC001125804346 1095387112 /nfs/dbraw/zinc/38/71/12/1095387112.db2.gz NKFBERHKEVTGHD-KRWDZBQOSA-N -1 3 338.411 2.915 20 30 EFEDHM N#CC(C(=O)c1cncc(C(=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC001601047093 1095478291 /nfs/dbraw/zinc/47/82/91/1095478291.db2.gz ILDBMLQIZHJKCA-LLVKDONJSA-N -1 3 335.241 2.684 20 30 EFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC001601094169 1095504111 /nfs/dbraw/zinc/50/41/11/1095504111.db2.gz HUTWUZUAILNEFL-BBWFWOEESA-N -1 3 326.396 2.717 20 30 EFEDHM N#Cc1cccc(NC(=O)CCN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001601120720 1095525911 /nfs/dbraw/zinc/52/59/11/1095525911.db2.gz HUSFROBPBYKEMN-GOSISDBHSA-N -1 3 349.390 2.571 20 30 EFEDHM N#Cc1cccc(CN2CCC(Nc3cc(C(=O)[O-])ccn3)CC2)c1 ZINC001601123040 1095526617 /nfs/dbraw/zinc/52/66/17/1095526617.db2.gz WIQAKRLKYGQGMQ-UHFFFAOYSA-N -1 3 336.395 2.728 20 30 EFEDHM N#Cc1ccccc1OCCN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601126488 1095530395 /nfs/dbraw/zinc/53/03/95/1095530395.db2.gz AEIDEOUACSHYOX-CYBMUJFWSA-N -1 3 343.408 2.581 20 30 EFEDHM N#Cc1ccccc1NC(=O)CCN1CCc2c(cccc2C(=O)[O-])C1 ZINC001601125501 1095531178 /nfs/dbraw/zinc/53/11/78/1095531178.db2.gz IXKMWIZBFSAXID-UHFFFAOYSA-N -1 3 349.390 2.643 20 30 EFEDHM Cc1nc(N(C)CCCN(C)C(=O)c2ccccc2[O-])ccc1C#N ZINC001112044132 1095699286 /nfs/dbraw/zinc/69/92/86/1095699286.db2.gz FPFJDBJQMAYEIF-UHFFFAOYSA-N -1 3 338.411 2.566 20 30 EFEDHM O=C([O-])c1[nH]c2ccccc2c1CN1CCC2(CC1)CC(=O)C=CO2 ZINC001602631541 1096333666 /nfs/dbraw/zinc/33/36/66/1096333666.db2.gz FKWXSWJQMWJOFT-UHFFFAOYSA-N -1 3 340.379 2.704 20 30 EFEDHM C#C[C@H](C)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001602689540 1096351207 /nfs/dbraw/zinc/35/12/07/1096351207.db2.gz HYTURAHDDQSESE-NSHDSACASA-N -1 3 342.403 2.529 20 30 EFEDHM C#C[C@H](C)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001602689540 1096351216 /nfs/dbraw/zinc/35/12/16/1096351216.db2.gz HYTURAHDDQSESE-NSHDSACASA-N -1 3 342.403 2.529 20 30 EFEDHM C#C[C@H](C)N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001602690734 1096351287 /nfs/dbraw/zinc/35/12/87/1096351287.db2.gz ZASNIEFKNSBFKT-ZDUSSCGKSA-N -1 3 347.378 2.753 20 30 EFEDHM C#C[C@H](C)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602690734 1096351297 /nfs/dbraw/zinc/35/12/97/1096351297.db2.gz ZASNIEFKNSBFKT-ZDUSSCGKSA-N -1 3 347.378 2.753 20 30 EFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602688777 1096351502 /nfs/dbraw/zinc/35/15/02/1096351502.db2.gz LZWIRBVGMFQSIK-INIZCTEOSA-N -1 3 332.363 2.576 20 30 EFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602688777 1096351509 /nfs/dbraw/zinc/35/15/09/1096351509.db2.gz LZWIRBVGMFQSIK-INIZCTEOSA-N -1 3 332.363 2.576 20 30 EFEDHM C#C[C@H](CC)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602689512 1096351765 /nfs/dbraw/zinc/35/17/65/1096351765.db2.gz HMFRZJFRUZRUER-OAHLLOKOSA-N -1 3 346.394 2.752 20 30 EFEDHM C#C[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001602697257 1096353844 /nfs/dbraw/zinc/35/38/44/1096353844.db2.gz UBDSWBLIBAFGRB-ZDUSSCGKSA-N -1 3 335.333 2.873 20 30 EFEDHM C#CCCCCNC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001602711203 1096354998 /nfs/dbraw/zinc/35/49/98/1096354998.db2.gz NCQMGCKRGPTLMC-UHFFFAOYSA-N -1 3 339.424 2.923 20 30 EFEDHM C#CCCCCNC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001602711203 1096355002 /nfs/dbraw/zinc/35/50/02/1096355002.db2.gz NCQMGCKRGPTLMC-UHFFFAOYSA-N -1 3 339.424 2.923 20 30 EFEDHM C#CCCCOc1cccnc1N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602711062 1096355184 /nfs/dbraw/zinc/35/51/84/1096355184.db2.gz DAFXQOZVWDRXAN-UHFFFAOYSA-N -1 3 348.410 2.690 20 30 EFEDHM C#CCCCOc1cccnc1N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602711062 1096355190 /nfs/dbraw/zinc/35/51/90/1096355190.db2.gz DAFXQOZVWDRXAN-UHFFFAOYSA-N -1 3 348.410 2.690 20 30 EFEDHM C#CCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001602710627 1096355648 /nfs/dbraw/zinc/35/56/48/1096355648.db2.gz XOKUUZCEUXRMBX-UHFFFAOYSA-N -1 3 329.429 2.939 20 30 EFEDHM C#CCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001602710627 1096355653 /nfs/dbraw/zinc/35/56/53/1096355653.db2.gz XOKUUZCEUXRMBX-UHFFFAOYSA-N -1 3 329.429 2.939 20 30 EFEDHM C#Cc1ccc(C(=O)NC(C)(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001602737669 1096358236 /nfs/dbraw/zinc/35/82/36/1096358236.db2.gz VFTIJAOODSJIKZ-UHFFFAOYSA-N -1 3 345.406 2.599 20 30 EFEDHM C#Cc1ccc(C(=O)NC(C)(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602737669 1096358243 /nfs/dbraw/zinc/35/82/43/1096358243.db2.gz VFTIJAOODSJIKZ-UHFFFAOYSA-N -1 3 345.406 2.599 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2cccc(-c3nnn[n-]3)c2C)c1 ZINC001602741371 1096359501 /nfs/dbraw/zinc/35/95/01/1096359501.db2.gz ILRFSGFIUVBVJD-UHFFFAOYSA-N -1 3 331.379 2.823 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2cccc(-c3nn[n-]n3)c2C)c1 ZINC001602741371 1096359507 /nfs/dbraw/zinc/35/95/07/1096359507.db2.gz ILRFSGFIUVBVJD-UHFFFAOYSA-N -1 3 331.379 2.823 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC001602742835 1096360085 /nfs/dbraw/zinc/36/00/85/1096360085.db2.gz LLAVUWISAFEDCA-UHFFFAOYSA-N -1 3 337.408 2.653 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC001602742835 1096360094 /nfs/dbraw/zinc/36/00/94/1096360094.db2.gz LLAVUWISAFEDCA-UHFFFAOYSA-N -1 3 337.408 2.653 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)c1 ZINC001602741590 1096360219 /nfs/dbraw/zinc/36/02/19/1096360219.db2.gz PUMXLXLHBXOVMD-ZWKOTPCHSA-N -1 3 343.390 2.615 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)c1 ZINC001602741590 1096360225 /nfs/dbraw/zinc/36/02/25/1096360225.db2.gz PUMXLXLHBXOVMD-ZWKOTPCHSA-N -1 3 343.390 2.615 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001602741280 1096360238 /nfs/dbraw/zinc/36/02/38/1096360238.db2.gz CVOBAJYDFSGJJZ-KRWDZBQOSA-N -1 3 344.378 2.657 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001602741280 1096360245 /nfs/dbraw/zinc/36/02/45/1096360245.db2.gz CVOBAJYDFSGJJZ-KRWDZBQOSA-N -1 3 344.378 2.657 20 30 EFEDHM C#Cc1cccc(N(CC)CCOc2ccccc2-c2nnn[n-]2)c1 ZINC001602741764 1096360434 /nfs/dbraw/zinc/36/04/34/1096360434.db2.gz ZLULITBQXSSRJD-UHFFFAOYSA-N -1 3 333.395 2.753 20 30 EFEDHM C#Cc1cccc(N(CC)CCOc2ccccc2-c2nn[n-]n2)c1 ZINC001602741764 1096360442 /nfs/dbraw/zinc/36/04/42/1096360442.db2.gz ZLULITBQXSSRJD-UHFFFAOYSA-N -1 3 333.395 2.753 20 30 EFEDHM C=C(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(F)c(F)c1 ZINC001602753412 1096363012 /nfs/dbraw/zinc/36/30/12/1096363012.db2.gz PJYVMJOAKWSCDE-AWEZNQCLSA-N -1 3 344.325 2.520 20 30 EFEDHM C=C(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(F)c(F)c1 ZINC001602753412 1096363020 /nfs/dbraw/zinc/36/30/20/1096363020.db2.gz PJYVMJOAKWSCDE-AWEZNQCLSA-N -1 3 344.325 2.520 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1ccc(-c2nn[n-]n2)cc1F ZINC001602762721 1096365961 /nfs/dbraw/zinc/36/59/61/1096365961.db2.gz FQRMETCUTRHJQW-UHFFFAOYSA-N -1 3 343.362 2.674 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001602773428 1096367740 /nfs/dbraw/zinc/36/77/40/1096367740.db2.gz XPIJCGLROVMHGK-BETUJISGSA-N -1 3 340.387 2.590 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001602773428 1096367748 /nfs/dbraw/zinc/36/77/48/1096367748.db2.gz XPIJCGLROVMHGK-BETUJISGSA-N -1 3 340.387 2.590 20 30 EFEDHM C=C1CCC(CNC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602776280 1096369239 /nfs/dbraw/zinc/36/92/39/1096369239.db2.gz YWSZRNKVHXUOET-CYBMUJFWSA-N -1 3 340.431 2.973 20 30 EFEDHM C=C1CCC(CNC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602776280 1096369247 /nfs/dbraw/zinc/36/92/47/1096369247.db2.gz YWSZRNKVHXUOET-CYBMUJFWSA-N -1 3 340.431 2.973 20 30 EFEDHM C=C1CCC(CNC(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC001602775158 1096369503 /nfs/dbraw/zinc/36/95/03/1096369503.db2.gz IQWTXMGNVUWABG-UHFFFAOYSA-N -1 3 342.403 2.743 20 30 EFEDHM C=C1CCC(CNC(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC001602775158 1096369508 /nfs/dbraw/zinc/36/95/08/1096369508.db2.gz IQWTXMGNVUWABG-UHFFFAOYSA-N -1 3 342.403 2.743 20 30 EFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nnn[n-]4)c3)n2C2CC2)CC1 ZINC001602777069 1096369713 /nfs/dbraw/zinc/36/97/13/1096369713.db2.gz PHRVHPKKLLWMSD-UHFFFAOYSA-N -1 3 348.414 2.617 20 30 EFEDHM C=C1CCN(c2nnc(-c3cccc(-c4nn[n-]n4)c3)n2C2CC2)CC1 ZINC001602777069 1096369720 /nfs/dbraw/zinc/36/97/20/1096369720.db2.gz PHRVHPKKLLWMSD-UHFFFAOYSA-N -1 3 348.414 2.617 20 30 EFEDHM C=C[C@@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)OC ZINC001602804010 1096373260 /nfs/dbraw/zinc/37/32/60/1096373260.db2.gz QYKUPUYDUQMNPM-SNVBAGLBSA-N -1 3 344.318 2.705 20 30 EFEDHM C=C[C@@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)OC ZINC001602804010 1096373270 /nfs/dbraw/zinc/37/32/70/1096373270.db2.gz QYKUPUYDUQMNPM-SNVBAGLBSA-N -1 3 344.318 2.705 20 30 EFEDHM C=C[C@H](Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)OC ZINC001602804000 1096373763 /nfs/dbraw/zinc/37/37/63/1096373763.db2.gz QYKUPUYDUQMNPM-JTQLQIEISA-N -1 3 344.318 2.705 20 30 EFEDHM C=C[C@H](Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)OC ZINC001602804000 1096373772 /nfs/dbraw/zinc/37/37/72/1096373772.db2.gz QYKUPUYDUQMNPM-JTQLQIEISA-N -1 3 344.318 2.705 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602803783 1096374372 /nfs/dbraw/zinc/37/43/72/1096374372.db2.gz OWYMSWQSXKKZBB-ZBFHGGJFSA-N -1 3 338.415 2.604 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602803783 1096374373 /nfs/dbraw/zinc/37/43/73/1096374373.db2.gz OWYMSWQSXKKZBB-ZBFHGGJFSA-N -1 3 338.415 2.604 20 30 EFEDHM C=C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccccc1 ZINC001602803520 1096374463 /nfs/dbraw/zinc/37/44/63/1096374463.db2.gz NIOJCGLOTAKVJQ-ZDUSSCGKSA-N -1 3 341.758 2.999 20 30 EFEDHM C=CCC(CC=C)C(=O)OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001602816468 1096374854 /nfs/dbraw/zinc/37/48/54/1096374854.db2.gz OGZBHJMSVRVJDF-UHFFFAOYSA-N -1 3 343.343 2.587 20 30 EFEDHM C=CCC(CC=C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001602816468 1096374862 /nfs/dbraw/zinc/37/48/62/1096374862.db2.gz OGZBHJMSVRVJDF-UHFFFAOYSA-N -1 3 343.343 2.587 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602811798 1096375181 /nfs/dbraw/zinc/37/51/81/1096375181.db2.gz PXZYWVSFSVUSLV-DZGCQCFKSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602811798 1096375188 /nfs/dbraw/zinc/37/51/88/1096375188.db2.gz PXZYWVSFSVUSLV-DZGCQCFKSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CCC1(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602818427 1096376380 /nfs/dbraw/zinc/37/63/80/1096376380.db2.gz RGPDLDUJKGWNBC-CYBMUJFWSA-N -1 3 341.415 2.639 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602822774 1096377002 /nfs/dbraw/zinc/37/70/02/1096377002.db2.gz FQOSFNXLXFIIHD-KGLIPLIRSA-N -1 3 340.431 2.925 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602822774 1096377010 /nfs/dbraw/zinc/37/70/10/1096377010.db2.gz FQOSFNXLXFIIHD-KGLIPLIRSA-N -1 3 340.431 2.925 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001602823336 1096378035 /nfs/dbraw/zinc/37/80/35/1096378035.db2.gz JYEOYOSCRZCNPU-ZBFHGGJFSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001602823336 1096378042 /nfs/dbraw/zinc/37/80/42/1096378042.db2.gz JYEOYOSCRZCNPU-ZBFHGGJFSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602823446 1096378255 /nfs/dbraw/zinc/37/82/55/1096378255.db2.gz KTTKJEVJANVLNJ-HOCLYGCPSA-N -1 3 325.416 2.660 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602823446 1096378265 /nfs/dbraw/zinc/37/82/65/1096378265.db2.gz KTTKJEVJANVLNJ-HOCLYGCPSA-N -1 3 325.416 2.660 20 30 EFEDHM C=CCCCCCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001602834539 1096379685 /nfs/dbraw/zinc/37/96/85/1096379685.db2.gz XVCZWDAFUMKXII-UHFFFAOYSA-N -1 3 346.410 2.942 20 30 EFEDHM C=CCCCCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001602834539 1096379695 /nfs/dbraw/zinc/37/96/95/1096379695.db2.gz XVCZWDAFUMKXII-UHFFFAOYSA-N -1 3 346.410 2.942 20 30 EFEDHM C=CCCCCCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602838102 1096380885 /nfs/dbraw/zinc/38/08/85/1096380885.db2.gz OWUJCVKNFHNJIK-UHFFFAOYSA-N -1 3 328.420 2.755 20 30 EFEDHM C=CCCCCCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602838102 1096380892 /nfs/dbraw/zinc/38/08/92/1096380892.db2.gz OWUJCVKNFHNJIK-UHFFFAOYSA-N -1 3 328.420 2.755 20 30 EFEDHM C=CCCOCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602846360 1096382844 /nfs/dbraw/zinc/38/28/44/1096382844.db2.gz JAOVKMACALQJFK-UHFFFAOYSA-N -1 3 333.367 2.707 20 30 EFEDHM C=CCCOCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602846360 1096382849 /nfs/dbraw/zinc/38/28/49/1096382849.db2.gz JAOVKMACALQJFK-UHFFFAOYSA-N -1 3 333.367 2.707 20 30 EFEDHM C=CCCOCCCCC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001602846502 1096383310 /nfs/dbraw/zinc/38/33/10/1096383310.db2.gz QUELRMGAPJXHDV-UHFFFAOYSA-N -1 3 349.460 2.650 20 30 EFEDHM C=CCCOCCCCC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001602846502 1096383319 /nfs/dbraw/zinc/38/33/19/1096383319.db2.gz QUELRMGAPJXHDV-UHFFFAOYSA-N -1 3 349.460 2.650 20 30 EFEDHM C=CCN(CC(F)(F)F)C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001602850650 1096384067 /nfs/dbraw/zinc/38/40/67/1096384067.db2.gz RSGMXMBHXGKHOA-UHFFFAOYSA-N -1 3 339.321 2.674 20 30 EFEDHM C=CCN(CC(F)(F)F)C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001602850650 1096384076 /nfs/dbraw/zinc/38/40/76/1096384076.db2.gz RSGMXMBHXGKHOA-UHFFFAOYSA-N -1 3 339.321 2.674 20 30 EFEDHM C=CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001602847658 1096384839 /nfs/dbraw/zinc/38/48/39/1096384839.db2.gz ZGNLOBBAQVHOQS-AWEZNQCLSA-N -1 3 349.394 2.853 20 30 EFEDHM C=CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001602847658 1096384850 /nfs/dbraw/zinc/38/48/50/1096384850.db2.gz ZGNLOBBAQVHOQS-AWEZNQCLSA-N -1 3 349.394 2.853 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccco1 ZINC001602853802 1096385583 /nfs/dbraw/zinc/38/55/83/1096385583.db2.gz IVGQIWYYANRBNS-CMDGGOBGSA-N -1 3 335.367 2.688 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccco1 ZINC001602853802 1096385587 /nfs/dbraw/zinc/38/55/87/1096385587.db2.gz IVGQIWYYANRBNS-CMDGGOBGSA-N -1 3 335.367 2.688 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC=C(C)C ZINC001602856345 1096386107 /nfs/dbraw/zinc/38/61/07/1096386107.db2.gz FJTMJORQJKLQSJ-UHFFFAOYSA-N -1 3 340.431 2.921 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC=C(C)C ZINC001602856345 1096386113 /nfs/dbraw/zinc/38/61/13/1096386113.db2.gz FJTMJORQJKLQSJ-UHFFFAOYSA-N -1 3 340.431 2.921 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)C1CC1 ZINC001602853526 1096386594 /nfs/dbraw/zinc/38/65/94/1096386594.db2.gz CEESKDRDPNOFKK-UHFFFAOYSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)C1CC1 ZINC001602853526 1096386600 /nfs/dbraw/zinc/38/66/00/1096386600.db2.gz CEESKDRDPNOFKK-UHFFFAOYSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(O)ccc1C ZINC001602858139 1096387121 /nfs/dbraw/zinc/38/71/21/1096387121.db2.gz ISYCIPUZAIPYBM-UHFFFAOYSA-N -1 3 349.394 2.709 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(O)ccc1C ZINC001602858139 1096387128 /nfs/dbraw/zinc/38/71/28/1096387128.db2.gz ISYCIPUZAIPYBM-UHFFFAOYSA-N -1 3 349.394 2.709 20 30 EFEDHM C=CCN(Cc1cn(C2CC2)cn1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602859850 1096387898 /nfs/dbraw/zinc/38/78/98/1096387898.db2.gz MUHYXUGKCWTVAZ-UHFFFAOYSA-N -1 3 335.415 2.586 20 30 EFEDHM C=CCN(Cc1cn(C2CC2)cn1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602859850 1096387905 /nfs/dbraw/zinc/38/79/05/1096387905.db2.gz MUHYXUGKCWTVAZ-UHFFFAOYSA-N -1 3 335.415 2.586 20 30 EFEDHM C=CCCC[C@H](C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001602860580 1096388348 /nfs/dbraw/zinc/38/83/48/1096388348.db2.gz IFSRJRACBNUUHN-ROUUACIJSA-N -1 3 344.455 2.601 20 30 EFEDHM C=CCOCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001602871318 1096390134 /nfs/dbraw/zinc/39/01/34/1096390134.db2.gz SOXRIHBAXIBNKD-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM CC(=NNCc1cc(F)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001602906103 1096395340 /nfs/dbraw/zinc/39/53/40/1096395340.db2.gz CXAHRYPILZUGBS-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1cc(F)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001602906103 1096395343 /nfs/dbraw/zinc/39/53/43/1096395343.db2.gz CXAHRYPILZUGBS-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1c(C)cc(C)cc1O ZINC001602906799 1096397969 /nfs/dbraw/zinc/39/79/69/1096397969.db2.gz XOWJIKDCSJPGAI-UHFFFAOYSA-N -1 3 336.399 2.703 20 30 EFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C(C)(C)O)cc1 ZINC001602908155 1096398419 /nfs/dbraw/zinc/39/84/19/1096398419.db2.gz NKGCSNKHHRLGNH-UHFFFAOYSA-N -1 3 336.399 2.930 20 30 EFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C(C)(C)O)cc1 ZINC001602908155 1096398424 /nfs/dbraw/zinc/39/84/24/1096398424.db2.gz NKGCSNKHHRLGNH-UHFFFAOYSA-N -1 3 336.399 2.930 20 30 EFEDHM C=CCOC[C@@H](NCc1ccc(-c2ccncc2)cc1F)C(=O)[O-] ZINC001602915307 1096399253 /nfs/dbraw/zinc/39/92/53/1096399253.db2.gz TZLJYBZHDCPTIW-QGZVFWFLSA-N -1 3 330.359 2.633 20 30 EFEDHM C=CCOC[C@H](NCc1ccc(-c2ccncc2)cc1F)C(=O)[O-] ZINC001602915305 1096400293 /nfs/dbraw/zinc/40/02/93/1096400293.db2.gz TZLJYBZHDCPTIW-KRWDZBQOSA-N -1 3 330.359 2.633 20 30 EFEDHM CC(=O)Nc1cccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602955992 1096406217 /nfs/dbraw/zinc/40/62/17/1096406217.db2.gz GIBIFOFNLDRDEK-UHFFFAOYSA-N -1 3 335.371 2.661 20 30 EFEDHM C[C@@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001602989103 1096416660 /nfs/dbraw/zinc/41/66/60/1096416660.db2.gz NDUSIQRVTQMFOH-LBPRGKRZSA-N -1 3 349.350 2.515 20 30 EFEDHM C[C@@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001602989103 1096416663 /nfs/dbraw/zinc/41/66/63/1096416663.db2.gz NDUSIQRVTQMFOH-LBPRGKRZSA-N -1 3 349.350 2.515 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001603034900 1096422005 /nfs/dbraw/zinc/42/20/05/1096422005.db2.gz YMFDCDAMIQIJHL-UHFFFAOYSA-N -1 3 335.314 2.632 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001603034900 1096422007 /nfs/dbraw/zinc/42/20/07/1096422007.db2.gz YMFDCDAMIQIJHL-UHFFFAOYSA-N -1 3 335.314 2.632 20 30 EFEDHM CC(C)(C#N)C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001603034584 1096422208 /nfs/dbraw/zinc/42/22/08/1096422208.db2.gz JUYHAFRHYVZDGR-UHFFFAOYSA-N -1 3 333.351 2.989 20 30 EFEDHM CC(C)(C#N)C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001603034584 1096422213 /nfs/dbraw/zinc/42/22/13/1096422213.db2.gz JUYHAFRHYVZDGR-UHFFFAOYSA-N -1 3 333.351 2.989 20 30 EFEDHM CC(C)(C(=O)O[C@@H]1CC[C@H](C#N)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603048353 1096424729 /nfs/dbraw/zinc/42/47/29/1096424729.db2.gz GIOQCIZCLADCGC-IINYFYTJSA-N -1 3 343.362 2.519 20 30 EFEDHM CC(C)(C(=O)O[C@@H]1CC[C@H](C#N)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603048353 1096424733 /nfs/dbraw/zinc/42/47/33/1096424733.db2.gz GIOQCIZCLADCGC-IINYFYTJSA-N -1 3 343.362 2.519 20 30 EFEDHM CC(C)(C=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCCO1 ZINC001603135278 1096456088 /nfs/dbraw/zinc/45/60/88/1096456088.db2.gz KODSIKYGHNERDB-OAHLLOKOSA-N -1 3 328.420 2.537 20 30 EFEDHM CC(C)(C=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCCO1 ZINC001603135278 1096456093 /nfs/dbraw/zinc/45/60/93/1096456093.db2.gz KODSIKYGHNERDB-OAHLLOKOSA-N -1 3 328.420 2.537 20 30 EFEDHM CC(C)(CNc1c(C#N)cccc1-c1nnn[n-]1)C1CCOCC1 ZINC001603150576 1096460369 /nfs/dbraw/zinc/46/03/69/1096460369.db2.gz FJOBKILFZTWUOR-UHFFFAOYSA-N -1 3 326.404 2.603 20 30 EFEDHM CC(C)(CNc1c(C#N)cccc1-c1nn[n-]n1)C1CCOCC1 ZINC001603150576 1096460373 /nfs/dbraw/zinc/46/03/73/1096460373.db2.gz FJOBKILFZTWUOR-UHFFFAOYSA-N -1 3 326.404 2.603 20 30 EFEDHM C[C@H](CC#N)N(C)c1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001603443297 1096529557 /nfs/dbraw/zinc/52/95/57/1096529557.db2.gz SHSIECMOKDMZTC-SSDOTTSWSA-N -1 3 339.172 2.507 20 30 EFEDHM C[C@H](CC#N)N(C)c1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001603443297 1096529563 /nfs/dbraw/zinc/52/95/63/1096529563.db2.gz SHSIECMOKDMZTC-SSDOTTSWSA-N -1 3 339.172 2.507 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(CC#N)c1ccccc1 ZINC001603573545 1096554713 /nfs/dbraw/zinc/55/47/13/1096554713.db2.gz WQHUXXJCPHJHAH-CQSZACIVSA-N -1 3 346.394 2.602 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC#N)c1ccccc1 ZINC001603573545 1096554718 /nfs/dbraw/zinc/55/47/18/1096554718.db2.gz WQHUXXJCPHJHAH-CQSZACIVSA-N -1 3 346.394 2.602 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCC(C)(C)C#N ZINC001603579456 1096559438 /nfs/dbraw/zinc/55/94/38/1096559438.db2.gz VAICLVOZDBRKMQ-LBPRGKRZSA-N -1 3 327.388 2.528 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCC(C)(C)C#N ZINC001603579456 1096559444 /nfs/dbraw/zinc/55/94/44/1096559444.db2.gz VAICLVOZDBRKMQ-LBPRGKRZSA-N -1 3 327.388 2.528 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(C#N)CCCC1 ZINC001603579416 1096559578 /nfs/dbraw/zinc/55/95/78/1096559578.db2.gz UJEHCEOKQDYHQZ-CYBMUJFWSA-N -1 3 339.399 2.672 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C#N)CCCC1 ZINC001603579416 1096559584 /nfs/dbraw/zinc/55/95/84/1096559584.db2.gz UJEHCEOKQDYHQZ-CYBMUJFWSA-N -1 3 339.399 2.672 20 30 EFEDHM C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001603607350 1096565675 /nfs/dbraw/zinc/56/56/75/1096565675.db2.gz GSBFYNXILQUXKN-XIKOKIGWSA-N -1 3 336.399 2.518 20 30 EFEDHM C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001603607350 1096565680 /nfs/dbraw/zinc/56/56/80/1096565680.db2.gz GSBFYNXILQUXKN-XIKOKIGWSA-N -1 3 336.399 2.518 20 30 EFEDHM C[C@H](OC(=O)c1ccsc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001603704644 1096595858 /nfs/dbraw/zinc/59/58/58/1096595858.db2.gz FIIMOOVTJFXHGE-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](OC(=O)c1ccsc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001603704644 1096595860 /nfs/dbraw/zinc/59/58/60/1096595860.db2.gz FIIMOOVTJFXHGE-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CCC[C@](C)(C#N)C2)n1 ZINC001603737922 1096609775 /nfs/dbraw/zinc/60/97/75/1096609775.db2.gz VMKRVKHYJAOFSG-QGZVFWFLSA-N -1 3 325.420 2.689 20 30 EFEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CCC[C@](C)(C#N)C2)n1 ZINC001603737922 1096609777 /nfs/dbraw/zinc/60/97/77/1096609777.db2.gz VMKRVKHYJAOFSG-QGZVFWFLSA-N -1 3 325.420 2.689 20 30 EFEDHM C[C@@H](c1noc([C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC001603736175 1096610265 /nfs/dbraw/zinc/61/02/65/1096610265.db2.gz GMPIRXUXWKFDSI-QMTHXVAHSA-N -1 3 335.371 2.613 20 30 EFEDHM C[C@@H](c1noc([C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC001603736175 1096610271 /nfs/dbraw/zinc/61/02/71/1096610271.db2.gz GMPIRXUXWKFDSI-QMTHXVAHSA-N -1 3 335.371 2.613 20 30 EFEDHM CC1=CCCN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)C1 ZINC001603828899 1096637928 /nfs/dbraw/zinc/63/79/28/1096637928.db2.gz VWUKRZMYLWKINC-UHFFFAOYSA-N -1 3 349.442 2.949 20 30 EFEDHM CC1=CCCN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)C1 ZINC001603828899 1096637936 /nfs/dbraw/zinc/63/79/36/1096637936.db2.gz VWUKRZMYLWKINC-UHFFFAOYSA-N -1 3 349.442 2.949 20 30 EFEDHM CC1CCC(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)CC1 ZINC001603877896 1096653937 /nfs/dbraw/zinc/65/39/37/1096653937.db2.gz DHJKWZLCOXWURU-UHFFFAOYSA-N -1 3 329.433 2.634 20 30 EFEDHM CC1CCC(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)CC1 ZINC001603877896 1096653942 /nfs/dbraw/zinc/65/39/42/1096653942.db2.gz DHJKWZLCOXWURU-UHFFFAOYSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@H]1CCCC[C@@H]1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001603892627 1096662381 /nfs/dbraw/zinc/66/23/81/1096662381.db2.gz PWBWVHIJGUUPLL-VHSXEESVSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@H]1CCCC[C@@H]1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001603892627 1096662386 /nfs/dbraw/zinc/66/23/86/1096662386.db2.gz PWBWVHIJGUUPLL-VHSXEESVSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@H]1CCc2nc(C=NNc3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC001603914916 1096669849 /nfs/dbraw/zinc/66/98/49/1096669849.db2.gz RIRHYWBMZRIHNI-JTQLQIEISA-N -1 3 339.428 2.894 20 30 EFEDHM C[C@H]1CCc2nc(C=NNc3cccc(-c4nn[n-]n4)c3)sc2C1 ZINC001603914916 1096669853 /nfs/dbraw/zinc/66/98/53/1096669853.db2.gz RIRHYWBMZRIHNI-JTQLQIEISA-N -1 3 339.428 2.894 20 30 EFEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)Cc2ccccc2O1 ZINC001603937517 1096675406 /nfs/dbraw/zinc/67/54/06/1096675406.db2.gz IIHXOJRZYWKSQX-GFCCVEGCSA-N -1 3 332.367 2.526 20 30 EFEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)Cc2ccccc2O1 ZINC001603937517 1096675410 /nfs/dbraw/zinc/67/54/10/1096675410.db2.gz IIHXOJRZYWKSQX-GFCCVEGCSA-N -1 3 332.367 2.526 20 30 EFEDHM CC[C@H](CC#N)OC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001604014586 1096697716 /nfs/dbraw/zinc/69/77/16/1096697716.db2.gz WXUXYIXOXQIOQT-CYBMUJFWSA-N -1 3 331.351 2.519 20 30 EFEDHM CC[C@H](CC#N)OC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001604014586 1096697719 /nfs/dbraw/zinc/69/77/19/1096697719.db2.gz WXUXYIXOXQIOQT-CYBMUJFWSA-N -1 3 331.351 2.519 20 30 EFEDHM CCCCCCCCOCC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001604176086 1096762055 /nfs/dbraw/zinc/76/20/55/1096762055.db2.gz KWOXHYQSFLCMTA-UHFFFAOYSA-N -1 3 332.408 2.577 20 30 EFEDHM CCCCCCCCOCC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001604176086 1096762059 /nfs/dbraw/zinc/76/20/59/1096762059.db2.gz KWOXHYQSFLCMTA-UHFFFAOYSA-N -1 3 332.408 2.577 20 30 EFEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC001604318426 1096804630 /nfs/dbraw/zinc/80/46/30/1096804630.db2.gz JYYJDVYXHGSBDL-ACJLOTCBSA-N -1 3 347.378 2.615 20 30 EFEDHM CCOC1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC001604412103 1096843690 /nfs/dbraw/zinc/84/36/90/1096843690.db2.gz KULCPBUNNPJCRO-UHFFFAOYSA-N -1 3 335.799 2.662 20 30 EFEDHM CCOC1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC001604412103 1096843700 /nfs/dbraw/zinc/84/37/00/1096843700.db2.gz KULCPBUNNPJCRO-UHFFFAOYSA-N -1 3 335.799 2.662 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(F)c(C#N)c2)s1 ZINC001604510819 1096884244 /nfs/dbraw/zinc/88/42/44/1096884244.db2.gz WMXKSCXXVWZMFG-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(F)c(C#N)c2)s1 ZINC001604510819 1096884248 /nfs/dbraw/zinc/88/42/48/1096884248.db2.gz WMXKSCXXVWZMFG-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604533323 1096896759 /nfs/dbraw/zinc/89/67/59/1096896759.db2.gz OLZFQHDSOQTDAS-INIZCTEOSA-N -1 3 346.394 2.750 20 30 EFEDHM CCc1ccccc1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604533323 1096896764 /nfs/dbraw/zinc/89/67/64/1096896764.db2.gz OLZFQHDSOQTDAS-INIZCTEOSA-N -1 3 346.394 2.750 20 30 EFEDHM CCc1nnc(Nc2cccc(CC#N)c2)c(-c2nnn[n-]2)c1CC ZINC001604583739 1096908959 /nfs/dbraw/zinc/90/89/59/1096908959.db2.gz LGEAVINEBMWKJF-UHFFFAOYSA-N -1 3 334.387 2.591 20 30 EFEDHM CCc1nnc(Nc2cccc(CC#N)c2)c(-c2nn[n-]n2)c1CC ZINC001604583739 1096908966 /nfs/dbraw/zinc/90/89/66/1096908966.db2.gz LGEAVINEBMWKJF-UHFFFAOYSA-N -1 3 334.387 2.591 20 30 EFEDHM CN(C(=O)c1csc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1C#N ZINC001604666364 1096927680 /nfs/dbraw/zinc/92/76/80/1096927680.db2.gz PQGXIDLWGBKJPQ-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM C[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001604785625 1096953480 /nfs/dbraw/zinc/95/34/80/1096953480.db2.gz GMJYVIJXTKNGIP-OXJNMPFZSA-N -1 3 349.434 2.890 20 30 EFEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1nc(C#N)c(Cl)s1 ZINC001604792210 1096956561 /nfs/dbraw/zinc/95/65/61/1096956561.db2.gz WPPOYBNBMUTLLJ-UHFFFAOYSA-N -1 3 345.819 2.527 20 30 EFEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1nc(C#N)c(Cl)s1 ZINC001604792210 1096956568 /nfs/dbraw/zinc/95/65/68/1096956568.db2.gz WPPOYBNBMUTLLJ-UHFFFAOYSA-N -1 3 345.819 2.527 20 30 EFEDHM CCC#C[C@@H](C)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001604851398 1096969909 /nfs/dbraw/zinc/96/99/09/1096969909.db2.gz QCUYRYVQLHPEJA-XNDRKVBMSA-N -1 3 335.444 2.543 20 30 EFEDHM COC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001604971066 1096990073 /nfs/dbraw/zinc/99/00/73/1096990073.db2.gz KZBYSKQQAAQTKV-FLIBITNWSA-N -1 3 334.335 2.549 20 30 EFEDHM COC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001604971066 1096990077 /nfs/dbraw/zinc/99/00/77/1096990077.db2.gz KZBYSKQQAAQTKV-FLIBITNWSA-N -1 3 334.335 2.549 20 30 EFEDHM COC(=O)c1cccc(CSCC2(C#N)CCC2)c1-c1nnn[n-]1 ZINC001604985687 1096993757 /nfs/dbraw/zinc/99/37/57/1096993757.db2.gz WHMCKPZYBAMXLN-UHFFFAOYSA-N -1 3 343.412 2.580 20 30 EFEDHM COC(=O)c1cccc(CSCC2(C#N)CCC2)c1-c1nn[n-]n1 ZINC001604985687 1096993762 /nfs/dbraw/zinc/99/37/62/1096993762.db2.gz WHMCKPZYBAMXLN-UHFFFAOYSA-N -1 3 343.412 2.580 20 30 EFEDHM COCC(CC(C)(C)C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001605053455 1097011966 /nfs/dbraw/zinc/01/19/66/1097011966.db2.gz XSZDIXHZSKHQJW-UHFFFAOYSA-N -1 3 337.815 2.766 20 30 EFEDHM COCC(CC(C)(C)C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001605053455 1097011973 /nfs/dbraw/zinc/01/19/73/1097011973.db2.gz XSZDIXHZSKHQJW-UHFFFAOYSA-N -1 3 337.815 2.766 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1COc1c(C#N)cccc1C(C)=O ZINC001605167807 1097039814 /nfs/dbraw/zinc/03/98/14/1097039814.db2.gz FMOXQBVQPXFBEE-UHFFFAOYSA-N -1 3 349.350 2.529 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1COc1c(C#N)cccc1C(C)=O ZINC001605167807 1097039823 /nfs/dbraw/zinc/03/98/23/1097039823.db2.gz FMOXQBVQPXFBEE-UHFFFAOYSA-N -1 3 349.350 2.529 20 30 EFEDHM COc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC001605201260 1097049517 /nfs/dbraw/zinc/04/95/17/1097049517.db2.gz VLNOLOLLXLYEBA-HNNXBMFYSA-N -1 3 341.371 2.505 20 30 EFEDHM COc1cc(C(=O)O[C@@H](C#N)C2CCCCC2)ccc1-c1nn[n-]n1 ZINC001605201260 1097049519 /nfs/dbraw/zinc/04/95/19/1097049519.db2.gz VLNOLOLLXLYEBA-HNNXBMFYSA-N -1 3 341.371 2.505 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(C#N)cc2F)ccc1-c1nnn[n-]1 ZINC001605204681 1097051821 /nfs/dbraw/zinc/05/18/21/1097051821.db2.gz BZYAFWICANSJPB-DAXSKMNVSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(C#N)cc2F)ccc1-c1nn[n-]n1 ZINC001605204681 1097051828 /nfs/dbraw/zinc/05/18/28/1097051828.db2.gz BZYAFWICANSJPB-DAXSKMNVSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC001605238592 1097063798 /nfs/dbraw/zinc/06/37/98/1097063798.db2.gz KSPUVVCDXZRDSE-SDQBBNPISA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC001605238592 1097063804 /nfs/dbraw/zinc/06/38/04/1097063804.db2.gz KSPUVVCDXZRDSE-SDQBBNPISA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc2c(cc1OC)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)C2 ZINC001605239504 1097066041 /nfs/dbraw/zinc/06/60/41/1097066041.db2.gz BBAFWENCUJWSPG-QPEQYQDCSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc2c(cc1OC)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)C2 ZINC001605239504 1097066047 /nfs/dbraw/zinc/06/60/47/1097066047.db2.gz BBAFWENCUJWSPG-QPEQYQDCSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001605264724 1097072971 /nfs/dbraw/zinc/07/29/71/1097072971.db2.gz SURVLQFKQXSEHV-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C(C)=O)cc1C#N ZINC001605285320 1097080899 /nfs/dbraw/zinc/08/08/99/1097080899.db2.gz GQINSRJJQHCHEY-UHFFFAOYSA-N -1 3 348.366 2.562 20 30 EFEDHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2C(C)=O)cc1C#N ZINC001605285320 1097080905 /nfs/dbraw/zinc/08/09/05/1097080905.db2.gz GQINSRJJQHCHEY-UHFFFAOYSA-N -1 3 348.366 2.562 20 30 EFEDHM COc1ccc(COc2ccc(C#N)c(Cl)c2)cc1-c1nnn[n-]1 ZINC001605288020 1097082577 /nfs/dbraw/zinc/08/25/77/1097082577.db2.gz MTHUQXGEPWDYAV-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccc(COc2ccc(C#N)c(Cl)c2)cc1-c1nn[n-]n1 ZINC001605288020 1097082579 /nfs/dbraw/zinc/08/25/79/1097082579.db2.gz MTHUQXGEPWDYAV-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001605338538 1097101123 /nfs/dbraw/zinc/10/11/23/1097101123.db2.gz WZIDHZBRJTZYMW-SNAWJCMRSA-N -1 3 330.344 2.972 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001605338538 1097101128 /nfs/dbraw/zinc/10/11/28/1097101128.db2.gz WZIDHZBRJTZYMW-SNAWJCMRSA-N -1 3 330.344 2.972 20 30 EFEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)NCC(C)(C)C#N ZINC001605478635 1097134610 /nfs/dbraw/zinc/13/46/10/1097134610.db2.gz MINFAPVRFLBIBN-UHFFFAOYSA-N -1 3 340.412 2.669 20 30 EFEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)NCC(C)(C)C#N ZINC001605478635 1097134612 /nfs/dbraw/zinc/13/46/12/1097134612.db2.gz MINFAPVRFLBIBN-UHFFFAOYSA-N -1 3 340.412 2.669 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(Cl)cc2C#N)cccc1-c1nnn[n-]1 ZINC001605480720 1097134831 /nfs/dbraw/zinc/13/48/31/1097134831.db2.gz GVHLOROQLJTARU-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(Cl)cc2C#N)cccc1-c1nn[n-]n1 ZINC001605480720 1097134833 /nfs/dbraw/zinc/13/48/33/1097134833.db2.gz GVHLOROQLJTARU-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)NCC(C)(C)CCC#N ZINC001605512741 1097142598 /nfs/dbraw/zinc/14/25/98/1097142598.db2.gz KYQQQFHLIYBNQH-UHFFFAOYSA-N -1 3 326.404 2.543 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NCC(C)(C)CCC#N ZINC001605512741 1097142601 /nfs/dbraw/zinc/14/26/01/1097142601.db2.gz KYQQQFHLIYBNQH-UHFFFAOYSA-N -1 3 326.404 2.543 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1cccc(C#N)c1C ZINC001605513930 1097142881 /nfs/dbraw/zinc/14/28/81/1097142881.db2.gz SUFSVKJGGZVCCN-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1cccc(C#N)c1C ZINC001605513930 1097142886 /nfs/dbraw/zinc/14/28/86/1097142886.db2.gz SUFSVKJGGZVCCN-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001605588959 1097163939 /nfs/dbraw/zinc/16/39/39/1097163939.db2.gz QHRFSEUKPGOBCE-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001605588959 1097163943 /nfs/dbraw/zinc/16/39/43/1097163943.db2.gz QHRFSEUKPGOBCE-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001605588825 1097164057 /nfs/dbraw/zinc/16/40/57/1097164057.db2.gz KBZJVHZKTWSQGK-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001605588825 1097164061 /nfs/dbraw/zinc/16/40/61/1097164061.db2.gz KBZJVHZKTWSQGK-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(C#N)cc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001605589282 1097164980 /nfs/dbraw/zinc/16/49/80/1097164980.db2.gz VHPJYQHVWDMUKR-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1cc(C#N)cc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001605589282 1097164981 /nfs/dbraw/zinc/16/49/81/1097164981.db2.gz VHPJYQHVWDMUKR-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1cc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc(C)c1O ZINC001605652317 1097180374 /nfs/dbraw/zinc/18/03/74/1097180374.db2.gz IITUPIIQMVPKRI-VGOFMYFVSA-N -1 3 347.378 2.797 20 30 EFEDHM Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc(C)c1O ZINC001605652317 1097180377 /nfs/dbraw/zinc/18/03/77/1097180377.db2.gz IITUPIIQMVPKRI-VGOFMYFVSA-N -1 3 347.378 2.797 20 30 EFEDHM Cc1cc(Cl)ccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001605668560 1097188193 /nfs/dbraw/zinc/18/81/93/1097188193.db2.gz HQUAXBIHSDGAPI-UHFFFAOYSA-N -1 3 326.791 2.952 20 30 EFEDHM Cc1cc(Cl)ccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001605668560 1097188197 /nfs/dbraw/zinc/18/81/97/1097188197.db2.gz HQUAXBIHSDGAPI-UHFFFAOYSA-N -1 3 326.791 2.952 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)C1(C#N)CCCCC1 ZINC001605675738 1097192150 /nfs/dbraw/zinc/19/21/50/1097192150.db2.gz RUVNWIGCBWFHKB-UHFFFAOYSA-N -1 3 328.351 2.727 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)C1(C#N)CCCCC1 ZINC001605675738 1097192151 /nfs/dbraw/zinc/19/21/51/1097192151.db2.gz RUVNWIGCBWFHKB-UHFFFAOYSA-N -1 3 328.351 2.727 20 30 EFEDHM Cc1cc(OC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)c(C)c(C)c1C#N ZINC001605745491 1097214290 /nfs/dbraw/zinc/21/42/90/1097214290.db2.gz BLSQXEJQRURSOW-UHFFFAOYSA-N -1 3 348.366 2.586 20 30 EFEDHM Cc1cc(OC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)c(C)c(C)c1C#N ZINC001605745491 1097214294 /nfs/dbraw/zinc/21/42/94/1097214294.db2.gz BLSQXEJQRURSOW-UHFFFAOYSA-N -1 3 348.366 2.586 20 30 EFEDHM Cc1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1C#N ZINC001605856789 1097254878 /nfs/dbraw/zinc/25/48/78/1097254878.db2.gz XGVAGKUVKUAGDZ-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1C#N ZINC001605856789 1097254883 /nfs/dbraw/zinc/25/48/83/1097254883.db2.gz XGVAGKUVKUAGDZ-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1C ZINC001605859815 1097256507 /nfs/dbraw/zinc/25/65/07/1097256507.db2.gz NOYOUHXFWZAKDF-UHFFFAOYSA-N -1 3 337.412 2.625 20 30 EFEDHM Cc1ccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1C ZINC001605859815 1097256513 /nfs/dbraw/zinc/25/65/13/1097256513.db2.gz NOYOUHXFWZAKDF-UHFFFAOYSA-N -1 3 337.412 2.625 20 30 EFEDHM Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001605937887 1097281308 /nfs/dbraw/zinc/28/13/08/1097281308.db2.gz ILLJHYRINCRMAN-ZDUSSCGKSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001605937887 1097281310 /nfs/dbraw/zinc/28/13/10/1097281310.db2.gz ILLJHYRINCRMAN-ZDUSSCGKSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001605938515 1097281319 /nfs/dbraw/zinc/28/13/19/1097281319.db2.gz RUSFLEKWSUZTHZ-CYBMUJFWSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001605938515 1097281321 /nfs/dbraw/zinc/28/13/21/1097281321.db2.gz RUSFLEKWSUZTHZ-CYBMUJFWSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1csc(NC(=O)NCC2CCC(C#N)CC2)c1-c1nnn[n-]1 ZINC001606003815 1097296745 /nfs/dbraw/zinc/29/67/45/1097296745.db2.gz PFYLSDMOEAQLRU-UHFFFAOYSA-N -1 3 345.432 2.688 20 30 EFEDHM Cc1csc(NC(=O)NCC2CCC(C#N)CC2)c1-c1nn[n-]n1 ZINC001606003815 1097296748 /nfs/dbraw/zinc/29/67/48/1097296748.db2.gz PFYLSDMOEAQLRU-UHFFFAOYSA-N -1 3 345.432 2.688 20 30 EFEDHM Cc1nc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1C#N ZINC001606048270 1097307242 /nfs/dbraw/zinc/30/72/42/1097307242.db2.gz DXMAOGNSRRSDGF-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM Cc1nc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1C#N ZINC001606048270 1097307250 /nfs/dbraw/zinc/30/72/50/1097307250.db2.gz DXMAOGNSRRSDGF-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM CN(CCOc1ccccc1C#N)Cc1ccc(OCC(=O)[O-])cc1 ZINC001606138284 1097324949 /nfs/dbraw/zinc/32/49/49/1097324949.db2.gz NTEJWZVPKCDKQA-UHFFFAOYSA-N -1 3 340.379 2.532 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)no1 ZINC001606337653 1097386322 /nfs/dbraw/zinc/38/63/22/1097386322.db2.gz KXRXJIBYWDWVNK-OAHLLOKOSA-N -1 3 343.350 2.767 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)no1 ZINC001606337653 1097386326 /nfs/dbraw/zinc/38/63/26/1097386326.db2.gz KXRXJIBYWDWVNK-OAHLLOKOSA-N -1 3 343.350 2.767 20 30 EFEDHM N#CC1(CC(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)CCCCC1 ZINC001606340285 1097387410 /nfs/dbraw/zinc/38/74/10/1097387410.db2.gz ITEQEBWIBCGPTB-UHFFFAOYSA-N -1 3 336.399 2.620 20 30 EFEDHM N#CC1(CC(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)CCCCC1 ZINC001606340285 1097387419 /nfs/dbraw/zinc/38/74/19/1097387419.db2.gz ITEQEBWIBCGPTB-UHFFFAOYSA-N -1 3 336.399 2.620 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cn1 ZINC001606340309 1097387775 /nfs/dbraw/zinc/38/77/75/1097387775.db2.gz JKJFXNGWWGPCQO-QZTJIDSGSA-N -1 3 345.410 2.533 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cn1 ZINC001606340309 1097387780 /nfs/dbraw/zinc/38/77/80/1097387780.db2.gz JKJFXNGWWGPCQO-QZTJIDSGSA-N -1 3 345.410 2.533 20 30 EFEDHM N#CC1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCCCC1 ZINC001606342699 1097388806 /nfs/dbraw/zinc/38/88/06/1097388806.db2.gz BBWWKNLPDRJXMN-UHFFFAOYSA-N -1 3 345.338 2.800 20 30 EFEDHM N#CC1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCCC1 ZINC001606342699 1097388811 /nfs/dbraw/zinc/38/88/11/1097388811.db2.gz BBWWKNLPDRJXMN-UHFFFAOYSA-N -1 3 345.338 2.800 20 30 EFEDHM N#CC1(CNC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CCCCC1 ZINC001606344101 1097389379 /nfs/dbraw/zinc/38/93/79/1097389379.db2.gz XPJQVCCQKOFYKR-UHFFFAOYSA-N -1 3 344.806 2.724 20 30 EFEDHM N#CC1(CNC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CCCCC1 ZINC001606344101 1097389386 /nfs/dbraw/zinc/38/93/86/1097389386.db2.gz XPJQVCCQKOFYKR-UHFFFAOYSA-N -1 3 344.806 2.724 20 30 EFEDHM N#CC1(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCCCC1 ZINC001606343222 1097389687 /nfs/dbraw/zinc/38/96/87/1097389687.db2.gz KFFSDHZZAWXZRX-UHFFFAOYSA-N -1 3 327.348 2.661 20 30 EFEDHM N#CC1(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCCCC1 ZINC001606343222 1097389693 /nfs/dbraw/zinc/38/96/93/1097389693.db2.gz KFFSDHZZAWXZRX-UHFFFAOYSA-N -1 3 327.348 2.661 20 30 EFEDHM N#C[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC001606345721 1097389831 /nfs/dbraw/zinc/38/98/31/1097389831.db2.gz OAYZSCVOQRVYMD-SNVBAGLBSA-N -1 3 336.321 2.621 20 30 EFEDHM N#C[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001606345721 1097389836 /nfs/dbraw/zinc/38/98/36/1097389836.db2.gz OAYZSCVOQRVYMD-SNVBAGLBSA-N -1 3 336.321 2.621 20 30 EFEDHM N#CCOc1cc(F)ccc1NCc1csc(-c2nnn[n-]2)c1 ZINC001606350446 1097390674 /nfs/dbraw/zinc/39/06/74/1097390674.db2.gz WABFOJXVFSEPGL-UHFFFAOYSA-N -1 3 330.348 2.582 20 30 EFEDHM N#CCCc1ccc(Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001606349464 1097390744 /nfs/dbraw/zinc/39/07/44/1097390744.db2.gz NIRFUQZUJHHFEL-UHFFFAOYSA-N -1 3 335.327 2.975 20 30 EFEDHM N#CCCc1ccc(Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001606349464 1097390748 /nfs/dbraw/zinc/39/07/48/1097390748.db2.gz NIRFUQZUJHHFEL-UHFFFAOYSA-N -1 3 335.327 2.975 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001606350472 1097391220 /nfs/dbraw/zinc/39/12/20/1097391220.db2.gz XTCBXYSMQCZHIW-RUDMXATFSA-N -1 3 331.335 2.665 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001606350472 1097391227 /nfs/dbraw/zinc/39/12/27/1097391227.db2.gz XTCBXYSMQCZHIW-RUDMXATFSA-N -1 3 331.335 2.665 20 30 EFEDHM N#C[C@@H]1CC[C@H](Nc2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001606354681 1097393096 /nfs/dbraw/zinc/39/30/96/1097393096.db2.gz PLZREZUCNAMGOO-YPMHNXCESA-N -1 3 348.370 2.553 20 30 EFEDHM N#C[C@@H]1CC[C@H](Nc2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001606354681 1097393102 /nfs/dbraw/zinc/39/31/02/1097393102.db2.gz PLZREZUCNAMGOO-YPMHNXCESA-N -1 3 348.370 2.553 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3ccncc3c2)ccc1-c1nnn[n-]1 ZINC001606361359 1097393210 /nfs/dbraw/zinc/39/32/10/1097393210.db2.gz OQMNSDABURDJCV-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3ccncc3c2)ccc1-c1nn[n-]n1 ZINC001606361359 1097393216 /nfs/dbraw/zinc/39/32/16/1097393216.db2.gz OQMNSDABURDJCV-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1c(F)cccc1CNCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606356353 1097393235 /nfs/dbraw/zinc/39/32/35/1097393235.db2.gz QPRCDWSNBDXHDR-UHFFFAOYSA-N -1 3 342.765 2.821 20 30 EFEDHM N#Cc1c(F)cccc1CNCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606356353 1097393240 /nfs/dbraw/zinc/39/32/40/1097393240.db2.gz QPRCDWSNBDXHDR-UHFFFAOYSA-N -1 3 342.765 2.821 20 30 EFEDHM N#Cc1ccc(NC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001606372662 1097393836 /nfs/dbraw/zinc/39/38/36/1097393836.db2.gz IPTZCYJXBCLDQZ-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(NC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001606372662 1097393840 /nfs/dbraw/zinc/39/38/40/1097393840.db2.gz IPTZCYJXBCLDQZ-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(C(F)(F)F)c(NCc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001606367760 1097394301 /nfs/dbraw/zinc/39/43/01/1097394301.db2.gz NACMLXNJSCOYLY-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1ccc(C(F)(F)F)c(NCc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001606367760 1097394303 /nfs/dbraw/zinc/39/43/03/1097394303.db2.gz NACMLXNJSCOYLY-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1ccc(NC(=O)c2nccc3ccsc32)cc1-c1nnn[n-]1 ZINC001606377839 1097395550 /nfs/dbraw/zinc/39/55/50/1097395550.db2.gz RWFDGBYRIZHWQR-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(NC(=O)c2nccc3ccsc32)cc1-c1nn[n-]n1 ZINC001606377839 1097395553 /nfs/dbraw/zinc/39/55/53/1097395553.db2.gz RWFDGBYRIZHWQR-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC001606377951 1097395841 /nfs/dbraw/zinc/39/58/41/1097395841.db2.gz YDHPCTJMPCSMKK-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC001606377951 1097395842 /nfs/dbraw/zinc/39/58/42/1097395842.db2.gz YDHPCTJMPCSMKK-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cccc(CN2CCCc3cc(-c4nn[n-]n4)ccc32)c1F ZINC001606379825 1097396308 /nfs/dbraw/zinc/39/63/08/1097396308.db2.gz DEZRUDKVDBMIKH-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nnn[n-]1)C2 ZINC001606382032 1097397264 /nfs/dbraw/zinc/39/72/64/1097397264.db2.gz YGXXWAUZSKNGNW-MDWZMJQESA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nn[n-]n1)C2 ZINC001606382032 1097397267 /nfs/dbraw/zinc/39/72/67/1097397267.db2.gz YGXXWAUZSKNGNW-MDWZMJQESA-N -1 3 331.310 2.700 20 30 EFEDHM O=C(C=Cc1nccn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606488194 1097408526 /nfs/dbraw/zinc/40/85/26/1097408526.db2.gz DLPROIKEJFOKEV-KHPPLWFESA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1nccn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606488194 1097408527 /nfs/dbraw/zinc/40/85/27/1097408527.db2.gz DLPROIKEJFOKEV-KHPPLWFESA-N -1 3 342.362 2.949 20 30 EFEDHM O=C1c2ccc(F)cc2OC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001607037383 1097501331 /nfs/dbraw/zinc/50/13/31/1097501331.db2.gz ZAHWHBAOCFSQDB-NSIKDUERSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1c2ccc(F)cc2OC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001607037383 1097501333 /nfs/dbraw/zinc/50/13/33/1097501333.db2.gz ZAHWHBAOCFSQDB-NSIKDUERSA-N -1 3 326.262 2.761 20 30 EFEDHM CSc1ccc(CNCc2cc(C(=O)[O-])c(C)n2C)cc1C#N ZINC001607408549 1097621933 /nfs/dbraw/zinc/62/19/33/1097621933.db2.gz LEDCNLDZSWORID-UHFFFAOYSA-N -1 3 329.425 2.915 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001608214731 1097866075 /nfs/dbraw/zinc/86/60/75/1097866075.db2.gz SPPLSSUOPCJOEA-HZPDHXFCSA-N -1 3 336.395 2.955 20 30 EFEDHM O=C([O-])C[C@@]1(NCC#Cc2ccc(C(F)(F)F)cc2)CCCOC1 ZINC001608686631 1097990264 /nfs/dbraw/zinc/99/02/64/1097990264.db2.gz OGVFPRKYIWNGBQ-INIZCTEOSA-N -1 3 341.329 2.670 20 30 EFEDHM C#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001609019308 1098112651 /nfs/dbraw/zinc/11/26/51/1098112651.db2.gz QYCMGEARAWFASS-GFCCVEGCSA-N -1 3 343.799 2.686 20 30 EFEDHM C#C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001609019308 1098112653 /nfs/dbraw/zinc/11/26/53/1098112653.db2.gz QYCMGEARAWFASS-GFCCVEGCSA-N -1 3 343.799 2.686 20 30 EFEDHM C#CCC1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001609019761 1098112815 /nfs/dbraw/zinc/11/28/15/1098112815.db2.gz FSRXGAYLBLAQTP-UHFFFAOYSA-N -1 3 327.363 2.918 20 30 EFEDHM C#CCC1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001609019761 1098112817 /nfs/dbraw/zinc/11/28/17/1098112817.db2.gz FSRXGAYLBLAQTP-UHFFFAOYSA-N -1 3 327.363 2.918 20 30 EFEDHM C#CCCCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC ZINC001609020176 1098113023 /nfs/dbraw/zinc/11/30/23/1098113023.db2.gz UFENXOVOPBGKFI-UHFFFAOYSA-N -1 3 334.763 2.628 20 30 EFEDHM C#CCCCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OCC ZINC001609020176 1098113026 /nfs/dbraw/zinc/11/30/26/1098113026.db2.gz UFENXOVOPBGKFI-UHFFFAOYSA-N -1 3 334.763 2.628 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609021776 1098114188 /nfs/dbraw/zinc/11/41/88/1098114188.db2.gz CPXHLBKUPCWXTL-UHFFFAOYSA-N -1 3 337.770 2.683 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609021776 1098114194 /nfs/dbraw/zinc/11/41/94/1098114194.db2.gz CPXHLBKUPCWXTL-UHFFFAOYSA-N -1 3 337.770 2.683 20 30 EFEDHM C=CCCCCNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001609054129 1098123062 /nfs/dbraw/zinc/12/30/62/1098123062.db2.gz ZTIVODWSBJBULJ-UHFFFAOYSA-N -1 3 326.404 2.511 20 30 EFEDHM C=CCCCCNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001609054129 1098123063 /nfs/dbraw/zinc/12/30/63/1098123063.db2.gz ZTIVODWSBJBULJ-UHFFFAOYSA-N -1 3 326.404 2.511 20 30 EFEDHM C=C[C@](C)(CC)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001609052203 1098123122 /nfs/dbraw/zinc/12/31/22/1098123122.db2.gz QVSJRIAJRDCICL-QGZVFWFLSA-N -1 3 330.388 2.781 20 30 EFEDHM C=C[C@](C)(CC)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001609052203 1098123123 /nfs/dbraw/zinc/12/31/23/1098123123.db2.gz QVSJRIAJRDCICL-QGZVFWFLSA-N -1 3 330.388 2.781 20 30 EFEDHM C=CCCCOc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001609054911 1098123202 /nfs/dbraw/zinc/12/32/02/1098123202.db2.gz LCYUEXOBYNXFAQ-UHFFFAOYSA-N -1 3 341.371 2.777 20 30 EFEDHM C=CC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC)cc32)CC1 ZINC001609052616 1098123223 /nfs/dbraw/zinc/12/32/23/1098123223.db2.gz KBUOCGSDTIQDDZ-UHFFFAOYSA-N -1 3 336.399 2.826 20 30 EFEDHM C=CC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC)cc32)CC1 ZINC001609052616 1098123226 /nfs/dbraw/zinc/12/32/26/1098123226.db2.gz KBUOCGSDTIQDDZ-UHFFFAOYSA-N -1 3 336.399 2.826 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609053771 1098123380 /nfs/dbraw/zinc/12/33/80/1098123380.db2.gz RDLNOSRNVIAHRP-GOEBONIOSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609053771 1098123385 /nfs/dbraw/zinc/12/33/85/1098123385.db2.gz RDLNOSRNVIAHRP-GOEBONIOSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCCOCC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001609055392 1098124390 /nfs/dbraw/zinc/12/43/90/1098124390.db2.gz YSJROSPEGMULII-UHFFFAOYSA-N -1 3 335.433 2.757 20 30 EFEDHM C=CCCOCC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001609055392 1098124393 /nfs/dbraw/zinc/12/43/93/1098124393.db2.gz YSJROSPEGMULII-UHFFFAOYSA-N -1 3 335.433 2.757 20 30 EFEDHM C=CCN(Cc1nc(C(C)C)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609057132 1098124517 /nfs/dbraw/zinc/12/45/17/1098124517.db2.gz ALKOFFLPRZPQGN-UHFFFAOYSA-N -1 3 339.403 2.561 20 30 EFEDHM C=CCN(Cc1nc(C(C)C)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609057132 1098124521 /nfs/dbraw/zinc/12/45/21/1098124521.db2.gz ALKOFFLPRZPQGN-UHFFFAOYSA-N -1 3 339.403 2.561 20 30 EFEDHM C=CCN(Cc1oc(CC)nc1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609057262 1098124873 /nfs/dbraw/zinc/12/48/73/1098124873.db2.gz ICAMHKHSDVDMFQ-UHFFFAOYSA-N -1 3 338.415 2.914 20 30 EFEDHM C=CCOc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC001609058874 1098125560 /nfs/dbraw/zinc/12/55/60/1098125560.db2.gz ANKMRIJYAHBACZ-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC001609058874 1098125563 /nfs/dbraw/zinc/12/55/63/1098125563.db2.gz ANKMRIJYAHBACZ-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CCSCC1 ZINC001609061145 1098125739 /nfs/dbraw/zinc/12/57/39/1098125739.db2.gz HIQFUVFFNUMQHF-UHFFFAOYSA-N -1 3 337.840 2.846 20 30 EFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CCSCC1 ZINC001609061145 1098125742 /nfs/dbraw/zinc/12/57/42/1098125742.db2.gz HIQFUVFFNUMQHF-UHFFFAOYSA-N -1 3 337.840 2.846 20 30 EFEDHM CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609073609 1098130454 /nfs/dbraw/zinc/13/04/54/1098130454.db2.gz CPSCBDSQGJOFPY-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609073609 1098130458 /nfs/dbraw/zinc/13/04/58/1098130458.db2.gz CPSCBDSQGJOFPY-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)CN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001609075664 1098133968 /nfs/dbraw/zinc/13/39/68/1098133968.db2.gz ZUVSJNOJCATNAF-UHFFFAOYSA-N -1 3 346.822 2.922 20 30 EFEDHM CC(C)(C)CN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001609075664 1098133972 /nfs/dbraw/zinc/13/39/72/1098133972.db2.gz ZUVSJNOJCATNAF-UHFFFAOYSA-N -1 3 346.822 2.922 20 30 EFEDHM C#CC[C@H](NCc1c(C)nn(Cc2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC001609089755 1098138642 /nfs/dbraw/zinc/13/86/42/1098138642.db2.gz RTYBPEJYUVJDKY-HNNXBMFYSA-N -1 3 349.793 2.598 20 30 EFEDHM CC(C)Cn1nccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609097249 1098143346 /nfs/dbraw/zinc/14/33/46/1098143346.db2.gz LBLYMAXPASXCPK-UHFFFAOYSA-N -1 3 344.810 2.819 20 30 EFEDHM CC(C)Cn1nccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609097249 1098143350 /nfs/dbraw/zinc/14/33/50/1098143350.db2.gz LBLYMAXPASXCPK-UHFFFAOYSA-N -1 3 344.810 2.819 20 30 EFEDHM CC(C)c1nccnc1N=NCCCc1ccc(-c2nnn[n-]2)cc1 ZINC001609106451 1098147827 /nfs/dbraw/zinc/14/78/27/1098147827.db2.gz XQFJGAQHCNUREJ-UHFFFAOYSA-N -1 3 336.403 2.811 20 30 EFEDHM CC(C)c1nccnc1N=NCCCc1ccc(-c2nn[n-]n2)cc1 ZINC001609106451 1098147834 /nfs/dbraw/zinc/14/78/34/1098147834.db2.gz XQFJGAQHCNUREJ-UHFFFAOYSA-N -1 3 336.403 2.811 20 30 EFEDHM CC(C)n1nccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609107822 1098148286 /nfs/dbraw/zinc/14/82/86/1098148286.db2.gz LYCNAHPJOSEVKT-XQRVVYSFSA-N -1 3 326.335 2.679 20 30 EFEDHM CC(C)n1nccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609107822 1098148290 /nfs/dbraw/zinc/14/82/90/1098148290.db2.gz LYCNAHPJOSEVKT-XQRVVYSFSA-N -1 3 326.335 2.679 20 30 EFEDHM CC(C)n1nccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609107821 1098148436 /nfs/dbraw/zinc/14/84/36/1098148436.db2.gz LYCNAHPJOSEVKT-GQCTYLIASA-N -1 3 326.335 2.679 20 30 EFEDHM CC(C)n1nccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609107821 1098148437 /nfs/dbraw/zinc/14/84/37/1098148437.db2.gz LYCNAHPJOSEVKT-GQCTYLIASA-N -1 3 326.335 2.679 20 30 EFEDHM C[C@H](CC#N)N(C)c1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001609108428 1098148609 /nfs/dbraw/zinc/14/86/09/1098148609.db2.gz NXFBZBNTLBTCSU-SSDOTTSWSA-N -1 3 339.172 2.507 20 30 EFEDHM C[C@H](CC#N)N(C)c1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001609108428 1098148611 /nfs/dbraw/zinc/14/86/11/1098148611.db2.gz NXFBZBNTLBTCSU-SSDOTTSWSA-N -1 3 339.172 2.507 20 30 EFEDHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001609121120 1098155167 /nfs/dbraw/zinc/15/51/67/1098155167.db2.gz HAPZMHNWPXMGCJ-LLVKDONJSA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001609121120 1098155172 /nfs/dbraw/zinc/15/51/72/1098155172.db2.gz HAPZMHNWPXMGCJ-LLVKDONJSA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609126097 1098158354 /nfs/dbraw/zinc/15/83/54/1098158354.db2.gz FJBOXXUTLWONOA-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609126097 1098158358 /nfs/dbraw/zinc/15/83/58/1098158358.db2.gz FJBOXXUTLWONOA-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1cccc(F)c1 ZINC001609138623 1098163074 /nfs/dbraw/zinc/16/30/74/1098163074.db2.gz VEHIRGKMLMTTRY-MRVPVSSYSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1cccc(F)c1 ZINC001609138623 1098163079 /nfs/dbraw/zinc/16/30/79/1098163079.db2.gz VEHIRGKMLMTTRY-MRVPVSSYSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1cccc(F)c1 ZINC001609138624 1098164813 /nfs/dbraw/zinc/16/48/13/1098164813.db2.gz VEHIRGKMLMTTRY-QMMMGPOBSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1cccc(F)c1 ZINC001609138624 1098164816 /nfs/dbraw/zinc/16/48/16/1098164816.db2.gz VEHIRGKMLMTTRY-QMMMGPOBSA-N -1 3 341.375 2.708 20 30 EFEDHM CCCC[C@H](C)N(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609207319 1098201442 /nfs/dbraw/zinc/20/14/42/1098201442.db2.gz CDFLOHDZLJJPKA-XJKSGUPXSA-N -1 3 340.431 2.586 20 30 EFEDHM CCCC[C@@H](ON=C(C)C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC001609207989 1098201821 /nfs/dbraw/zinc/20/18/21/1098201821.db2.gz BELHBEBQFBEINH-OAHLLOKOSA-N -1 3 345.403 2.881 20 30 EFEDHM CCCC[C@@H](ON=C(C)C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC001609207989 1098201824 /nfs/dbraw/zinc/20/18/24/1098201824.db2.gz BELHBEBQFBEINH-OAHLLOKOSA-N -1 3 345.403 2.881 20 30 EFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NCc1ccnc(C#N)c1 ZINC001609216234 1098207188 /nfs/dbraw/zinc/20/71/88/1098207188.db2.gz RMIATUMPJPOIHE-UHFFFAOYSA-N -1 3 334.387 2.567 20 30 EFEDHM CCN(C(=O)C#CC(C)(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609218775 1098208928 /nfs/dbraw/zinc/20/89/28/1098208928.db2.gz GIBXNDFWEZWDBY-ZDUSSCGKSA-N -1 3 325.416 2.826 20 30 EFEDHM CCN(C(=O)C#CC(C)(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609218775 1098208932 /nfs/dbraw/zinc/20/89/32/1098208932.db2.gz GIBXNDFWEZWDBY-ZDUSSCGKSA-N -1 3 325.416 2.826 20 30 EFEDHM CCN(Cc1ccncc1C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609225204 1098212677 /nfs/dbraw/zinc/21/26/77/1098212677.db2.gz CDMXAJVXJLRLIT-CYBMUJFWSA-N -1 3 333.399 2.716 20 30 EFEDHM CCN(Cc1ccncc1C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609225204 1098212684 /nfs/dbraw/zinc/21/26/84/1098212684.db2.gz CDMXAJVXJLRLIT-CYBMUJFWSA-N -1 3 333.399 2.716 20 30 EFEDHM CCN(Cc1ccc(Br)cc1-c1nn[n-]n1)C[C@H](C)C#N ZINC001609225575 1098213855 /nfs/dbraw/zinc/21/38/55/1098213855.db2.gz PZGDXHVPSLUHGT-SNVBAGLBSA-N -1 3 349.236 2.611 20 30 EFEDHM CCc1nnc(NCC(C)(C)CCC#N)c(-c2nnn[n-]2)c1CC ZINC001609255906 1098228478 /nfs/dbraw/zinc/22/84/78/1098228478.db2.gz PPIGWOPJKRUPPZ-UHFFFAOYSA-N -1 3 328.424 2.523 20 30 EFEDHM CCc1nnc(NCC(C)(C)CCC#N)c(-c2nn[n-]n2)c1CC ZINC001609255906 1098228482 /nfs/dbraw/zinc/22/84/82/1098228482.db2.gz PPIGWOPJKRUPPZ-UHFFFAOYSA-N -1 3 328.424 2.523 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609278404 1098236566 /nfs/dbraw/zinc/23/65/66/1098236566.db2.gz IYSLHKICAKENRU-UHFFFAOYSA-N -1 3 326.310 2.653 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609278404 1098236569 /nfs/dbraw/zinc/23/65/69/1098236569.db2.gz IYSLHKICAKENRU-UHFFFAOYSA-N -1 3 326.310 2.653 20 30 EFEDHM CN(Cc1cccc(C#N)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609280257 1098237465 /nfs/dbraw/zinc/23/74/65/1098237465.db2.gz LUUUYSMCUHTJEE-UHFFFAOYSA-N -1 3 326.310 2.653 20 30 EFEDHM CN(Cc1cccc(C#N)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609280257 1098237468 /nfs/dbraw/zinc/23/74/68/1098237468.db2.gz LUUUYSMCUHTJEE-UHFFFAOYSA-N -1 3 326.310 2.653 20 30 EFEDHM CON=Cc1ccc(-c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC001609332532 1098251259 /nfs/dbraw/zinc/25/12/59/1098251259.db2.gz WHQHMNQWDZLNNL-UHFFFAOYSA-N -1 3 347.338 2.564 20 30 EFEDHM CON=Cc1ccc(-c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC001609332532 1098251264 /nfs/dbraw/zinc/25/12/64/1098251264.db2.gz WHQHMNQWDZLNNL-UHFFFAOYSA-N -1 3 347.338 2.564 20 30 EFEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC001609351780 1098262200 /nfs/dbraw/zinc/26/22/00/1098262200.db2.gz LXGCVWCWICEMJX-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1C ZINC001609353656 1098262944 /nfs/dbraw/zinc/26/29/44/1098262944.db2.gz LYSDKYYILYUGBB-RIYZIHGNSA-N -1 3 347.378 2.791 20 30 EFEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1C ZINC001609353656 1098262949 /nfs/dbraw/zinc/26/29/49/1098262949.db2.gz LYSDKYYILYUGBB-RIYZIHGNSA-N -1 3 347.378 2.791 20 30 EFEDHM COc1ccccc1[C@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001609363815 1098267274 /nfs/dbraw/zinc/26/72/74/1098267274.db2.gz XXBCMYQLMXICNB-AWEZNQCLSA-N -1 3 346.394 2.741 20 30 EFEDHM COc1ccccc1[C@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001609363815 1098267279 /nfs/dbraw/zinc/26/72/79/1098267279.db2.gz XXBCMYQLMXICNB-AWEZNQCLSA-N -1 3 346.394 2.741 20 30 EFEDHM COc1cccc(OC)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001609362293 1098267860 /nfs/dbraw/zinc/26/78/60/1098267860.db2.gz HAJKGSYEEUDWKA-RAXLEYEMSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cccc(OC)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001609362293 1098267867 /nfs/dbraw/zinc/26/78/67/1098267867.db2.gz HAJKGSYEEUDWKA-RAXLEYEMSA-N -1 3 348.362 2.706 20 30 EFEDHM Cc1cc(C=C2COc3cc(F)ccc3C2=O)ccc1-c1nnn[n-]1 ZINC001609399601 1098289475 /nfs/dbraw/zinc/28/94/75/1098289475.db2.gz HEGYAIFGQJPGPH-KPKJPENVSA-N -1 3 336.326 2.973 20 30 EFEDHM Cc1cc(C=C2COc3cc(F)ccc3C2=O)ccc1-c1nn[n-]n1 ZINC001609399601 1098289476 /nfs/dbraw/zinc/28/94/76/1098289476.db2.gz HEGYAIFGQJPGPH-KPKJPENVSA-N -1 3 336.326 2.973 20 30 EFEDHM Cc1cc(CNc2ncccc2OCCCC#N)ccc1-c1nn[n-]n1 ZINC001609402206 1098291679 /nfs/dbraw/zinc/29/16/79/1098291679.db2.gz TYNXEDUEVVXOII-UHFFFAOYSA-N -1 3 349.398 2.865 20 30 EFEDHM Cc1ccc(C)c(OC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609421416 1098306643 /nfs/dbraw/zinc/30/66/43/1098306643.db2.gz CMCLCGAGJYHUHR-MRXNPFEDSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1ccc(C)c(OC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609421416 1098306649 /nfs/dbraw/zinc/30/66/49/1098306649.db2.gz CMCLCGAGJYHUHR-MRXNPFEDSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1ccccc1COC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609436568 1098320940 /nfs/dbraw/zinc/32/09/40/1098320940.db2.gz ZVPCOGISNXINLE-QGZVFWFLSA-N -1 3 347.378 2.601 20 30 EFEDHM Cc1ccccc1COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609436568 1098320946 /nfs/dbraw/zinc/32/09/46/1098320946.db2.gz ZVPCOGISNXINLE-QGZVFWFLSA-N -1 3 347.378 2.601 20 30 EFEDHM N#C[C@@H]1CC[C@H](Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001609495248 1098360240 /nfs/dbraw/zinc/36/02/40/1098360240.db2.gz YVHUBOGRNANVEZ-BDAKNGLRSA-N -1 3 338.293 2.869 20 30 EFEDHM N#C[C@@H]1CC[C@H](Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001609495248 1098360247 /nfs/dbraw/zinc/36/02/47/1098360247.db2.gz YVHUBOGRNANVEZ-BDAKNGLRSA-N -1 3 338.293 2.869 20 30 EFEDHM N#C[C@H]1CCC[C@H](OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001609494861 1098360700 /nfs/dbraw/zinc/36/07/00/1098360700.db2.gz NVJUCHFDSVRRGI-WFASDCNBSA-N -1 3 337.383 2.524 20 30 EFEDHM N#C[C@H]1CCC[C@H](OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001609494861 1098360707 /nfs/dbraw/zinc/36/07/07/1098360707.db2.gz NVJUCHFDSVRRGI-WFASDCNBSA-N -1 3 337.383 2.524 20 30 EFEDHM N#CC1(C(=O)OCc2ccc(-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC001609493083 1098361255 /nfs/dbraw/zinc/36/12/55/1098361255.db2.gz AGQJLLBNFNZLCQ-UHFFFAOYSA-N -1 3 329.335 2.523 20 30 EFEDHM N#CC1(C(=O)OCc2ccc(-c3nn[n-]n3)c(F)c2)CCCCC1 ZINC001609493083 1098361263 /nfs/dbraw/zinc/36/12/63/1098361263.db2.gz AGQJLLBNFNZLCQ-UHFFFAOYSA-N -1 3 329.335 2.523 20 30 EFEDHM N#Cc1ccc(C(=O)COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC001609498385 1098361711 /nfs/dbraw/zinc/36/17/11/1098361711.db2.gz BRAKOBOOENNDOQ-UHFFFAOYSA-N -1 3 339.742 2.653 20 30 EFEDHM N#Cc1ccc(C(=O)COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC001609498385 1098361715 /nfs/dbraw/zinc/36/17/15/1098361715.db2.gz BRAKOBOOENNDOQ-UHFFFAOYSA-N -1 3 339.742 2.653 20 30 EFEDHM N#Cc1cc2c(nc1N[C@H]1CCc3cc(-c4nnn[n-]4)ccc31)CCC2 ZINC001609497884 1098361737 /nfs/dbraw/zinc/36/17/37/1098361737.db2.gz OKWPDEIZWAVWKJ-KRWDZBQOSA-N -1 3 343.394 2.721 20 30 EFEDHM N#Cc1cc2c(nc1N[C@H]1CCc3cc(-c4nn[n-]n4)ccc31)CCC2 ZINC001609497884 1098361742 /nfs/dbraw/zinc/36/17/42/1098361742.db2.gz OKWPDEIZWAVWKJ-KRWDZBQOSA-N -1 3 343.394 2.721 20 30 EFEDHM N#Cc1c(NCc2ccco2)nc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC001609496845 1098362062 /nfs/dbraw/zinc/36/20/62/1098362062.db2.gz JREMBJAZXUMFJI-UHFFFAOYSA-N -1 3 349.398 2.997 20 30 EFEDHM N#Cc1c(NCc2ccco2)nc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC001609496845 1098362068 /nfs/dbraw/zinc/36/20/68/1098362068.db2.gz JREMBJAZXUMFJI-UHFFFAOYSA-N -1 3 349.398 2.997 20 30 EFEDHM N#Cc1c(-c2nnn[n-]2)c2c(nc1N1CC(C3CC3)C1)CCCCCC2 ZINC001609496843 1098362313 /nfs/dbraw/zinc/36/23/13/1098362313.db2.gz JQPWHABZFIFHET-UHFFFAOYSA-N -1 3 349.442 2.639 20 30 EFEDHM N#Cc1c(-c2nn[n-]n2)c2c(nc1N1CC(C3CC3)C1)CCCCCC2 ZINC001609496843 1098362318 /nfs/dbraw/zinc/36/23/18/1098362318.db2.gz JQPWHABZFIFHET-UHFFFAOYSA-N -1 3 349.442 2.639 20 30 EFEDHM N#Cc1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC001609499397 1098363857 /nfs/dbraw/zinc/36/38/57/1098363857.db2.gz NSJVVEMDJQPGQG-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM N#Cc1ccc(Sc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC001609499397 1098363862 /nfs/dbraw/zinc/36/38/62/1098363862.db2.gz NSJVVEMDJQPGQG-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(OC2CCCC2)CC1 ZINC001609499436 1098364213 /nfs/dbraw/zinc/36/42/13/1098364213.db2.gz PSMSHPVUOHIZBY-UHFFFAOYSA-N -1 3 338.415 2.666 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(OC2CCCC2)CC1 ZINC001609499436 1098364221 /nfs/dbraw/zinc/36/42/21/1098364221.db2.gz PSMSHPVUOHIZBY-UHFFFAOYSA-N -1 3 338.415 2.666 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)c1cnccn1 ZINC001609517962 1098366261 /nfs/dbraw/zinc/36/62/61/1098366261.db2.gz XCWNBYRPBCZYAD-ONEGZZNKSA-N -1 3 346.272 2.572 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cnccn1 ZINC001609517962 1098366267 /nfs/dbraw/zinc/36/62/67/1098366267.db2.gz XCWNBYRPBCZYAD-ONEGZZNKSA-N -1 3 346.272 2.572 20 30 EFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC001269951603 1098542475 /nfs/dbraw/zinc/54/24/75/1098542475.db2.gz NRSJUYNFYFAPNI-MRXNPFEDSA-N -1 3 342.439 2.635 20 30 EFEDHM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC001269982396 1098557956 /nfs/dbraw/zinc/55/79/56/1098557956.db2.gz CKFYGJVINYLXNF-AWEZNQCLSA-N -1 3 348.830 2.590 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cc([O-])ccc2Cl)C1=O ZINC001269987113 1098568225 /nfs/dbraw/zinc/56/82/25/1098568225.db2.gz JLDBZCWJFFTYEU-SFHVURJKSA-N -1 3 348.830 2.829 20 30 EFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc([O-])ccc1Cl ZINC001269986664 1098572044 /nfs/dbraw/zinc/57/20/44/1098572044.db2.gz CMFADTHDXRPULH-HZPDHXFCSA-N -1 3 348.830 2.827 20 30 EFEDHM C=CCOC(=O)[C@@H](Nc1ccc(C)c(-c2nnn[n-]2)c1)[C@@H](C)CC ZINC001167962079 1098822202 /nfs/dbraw/zinc/82/22/02/1098822202.db2.gz KZDIOLBWQUMSCM-NHYWBVRUSA-N -1 3 329.404 2.731 20 30 EFEDHM C=CCOC(=O)[C@@H](Nc1ccc(C)c(-c2nn[n-]n2)c1)[C@@H](C)CC ZINC001167962079 1098822213 /nfs/dbraw/zinc/82/22/13/1098822213.db2.gz KZDIOLBWQUMSCM-NHYWBVRUSA-N -1 3 329.404 2.731 20 30 EFEDHM CC(C)C[C@H](CNc1ccc(C#N)cn1)NC(=O)c1ccccc1[O-] ZINC001104897078 1098936652 /nfs/dbraw/zinc/93/66/52/1098936652.db2.gz BSQVWKFVQSCJSB-OAHLLOKOSA-N -1 3 338.411 2.915 20 30 EFEDHM Cc1ccc(C#N)c(N[C@@H](CNC(=O)c2ccccc2[O-])C(C)C)n1 ZINC001105133615 1099779421 /nfs/dbraw/zinc/77/94/21/1099779421.db2.gz HUQGWHVJHCKRRG-INIZCTEOSA-N -1 3 338.411 2.834 20 30 EFEDHM N#CC[C@@H]1CCCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001632705377 1100495133 /nfs/dbraw/zinc/49/51/33/1100495133.db2.gz ZXRAIHJNSBJYCO-NSHDSACASA-N -1 3 329.787 2.947 20 30 EFEDHM Cc1cc(SCCc2nnn[n-]2)n2c3ccccc3nc2c1C#N ZINC001640057110 1101009630 /nfs/dbraw/zinc/00/96/30/1101009630.db2.gz AZILBLXRMVADHW-UHFFFAOYSA-N -1 3 335.396 2.516 20 30 EFEDHM Cc1cc(SCCc2nn[n-]n2)n2c3ccccc3nc2c1C#N ZINC001640057110 1101009638 /nfs/dbraw/zinc/00/96/38/1101009638.db2.gz AZILBLXRMVADHW-UHFFFAOYSA-N -1 3 335.396 2.516 20 30 EFEDHM Cc1cc(=O)[n-]c(CNC(=O)c2ccccc2-c2ccccc2C#N)n1 ZINC001640613780 1101064276 /nfs/dbraw/zinc/06/42/76/1101064276.db2.gz AEIWSFAVIXFJNT-UHFFFAOYSA-N -1 3 344.374 2.959 20 30 EFEDHM CC(C)N(CCN(C)c1ccc(C#N)nc1)C(=O)c1ccccc1[O-] ZINC001125444784 1101369137 /nfs/dbraw/zinc/36/91/37/1101369137.db2.gz KHVMLWVZVNNFRM-UHFFFAOYSA-N -1 3 338.411 2.646 20 30 EFEDHM CC(C)N(CCN(C)c1ccncc1C#N)C(=O)c1ccccc1[O-] ZINC001125445379 1101385389 /nfs/dbraw/zinc/38/53/89/1101385389.db2.gz QXRIDSRMAWDJOP-UHFFFAOYSA-N -1 3 338.411 2.646 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@H]1CCCC1=O ZINC000748164458 1101392731 /nfs/dbraw/zinc/39/27/31/1101392731.db2.gz CABHGSUOIWXEDR-CYBMUJFWSA-N -1 3 330.384 2.511 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1sc([C@@H]2CCOC2)nc1C ZINC001649251428 1102260593 /nfs/dbraw/zinc/26/05/93/1102260593.db2.gz XRFFLEZPDROXHB-NEPJUHHUSA-N -1 3 330.413 2.662 20 30 EFEDHM COc1ccc(C=NN[C@H]2CCOC2(C)C)c(Br)c1[O-] ZINC000835017179 1102650075 /nfs/dbraw/zinc/65/00/75/1102650075.db2.gz SBQUWPBWFMDAMQ-NSHDSACASA-N -1 3 343.221 2.654 20 30 EFEDHM COC(=O)[C@](C)(Cc1ccc(O)cc1)Nc1cccc(/C=N/[O-])c1 ZINC001168085410 1102784183 /nfs/dbraw/zinc/78/41/83/1102784183.db2.gz RQLZQOLGHATXKH-LPGQDOADSA-N -1 3 328.368 2.787 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(C)c(F)c1 ZINC001414238810 1104638816 /nfs/dbraw/zinc/63/88/16/1104638816.db2.gz MXSAGYXRROKGSG-AWEZNQCLSA-N -1 3 333.388 2.830 20 30 EFEDHM C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142520517 1106109023 /nfs/dbraw/zinc/10/90/23/1106109023.db2.gz LFSYUQNUVNORQN-KDOFPFPSSA-N -1 3 339.382 2.997 20 30 EFEDHM N#Cc1ccc(NC[C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)nc1 ZINC001059994213 1106529056 /nfs/dbraw/zinc/52/90/56/1106529056.db2.gz IAMNNUUPAPFPPD-HNNXBMFYSA-N -1 3 336.395 2.623 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060172366 1107187888 /nfs/dbraw/zinc/18/78/88/1107187888.db2.gz FCSNJQCDMZQZMN-JKSUJKDBSA-N -1 3 344.455 2.963 20 30 EFEDHM O=C([C@H]1CCc2nncn2C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181370 1107674611 /nfs/dbraw/zinc/67/46/11/1107674611.db2.gz UQKYQAUSPRHBIA-JTQLQIEISA-N -1 3 341.198 2.565 20 30 EFEDHM Cc1nn(C)cc1CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180713 1107674794 /nfs/dbraw/zinc/67/47/94/1107674794.db2.gz NVNXNERXBUGFIO-UHFFFAOYSA-N -1 3 328.199 2.996 20 30 EFEDHM O=C(C1CCN(CC(F)(F)F)CC1)N([O-])Cc1ccc(F)cc1 ZINC000904174913 1107691212 /nfs/dbraw/zinc/69/12/12/1107691212.db2.gz LGNNUFMMRJCPJP-UHFFFAOYSA-N -1 3 334.313 2.818 20 30 EFEDHM O=C(c1ccccc1)N1CCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904175894 1107691814 /nfs/dbraw/zinc/69/18/14/1107691814.db2.gz YOWWVDVIIMODCP-QGZVFWFLSA-N -1 3 342.370 2.848 20 30 EFEDHM CN1C(=O)CCC[C@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178621 1107695220 /nfs/dbraw/zinc/69/52/20/1107695220.db2.gz PNLYTSYNECXWEI-LBPRGKRZSA-N -1 3 331.199 2.722 20 30 EFEDHM CCCCN([O-])C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000904207725 1107697188 /nfs/dbraw/zinc/69/71/88/1107697188.db2.gz ASVIZHANIKWJCK-UHFFFAOYSA-N -1 3 337.397 2.885 20 30 EFEDHM CCCCN([O-])C(=O)C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000904209129 1107699875 /nfs/dbraw/zinc/69/98/75/1107699875.db2.gz VJZVWBDWTMPCHQ-UHFFFAOYSA-N -1 3 332.444 2.876 20 30 EFEDHM O=C([C@@H]1CCN(CC(F)(F)F)C1)N([O-])Cc1ccccc1Cl ZINC000904190611 1107704556 /nfs/dbraw/zinc/70/45/56/1107704556.db2.gz NZJFLRYPJIASTQ-LLVKDONJSA-N -1 3 336.741 2.942 20 30 EFEDHM CC(=O)N[C@H](CCC(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192664 1107706247 /nfs/dbraw/zinc/70/62/47/1107706247.db2.gz UYLLZXIIXQOXCQ-OAHLLOKOSA-N -1 3 326.824 2.999 20 30 EFEDHM CCCCN([O-])C(=O)[C@]1(C)CC1(Br)Br ZINC000904215818 1107719587 /nfs/dbraw/zinc/71/95/87/1107719587.db2.gz LTLNSAMCDXDRJS-QMMMGPOBSA-N -1 3 329.032 2.900 20 30 EFEDHM CN(CC/N=C/c1cc([N+](=O)[O-])ccc1[O-])Cc1ccc(F)cc1 ZINC000176414489 1108473127 /nfs/dbraw/zinc/47/31/27/1108473127.db2.gz DBNQIOLEOSMWOV-YBFXNURJSA-N -1 3 331.347 2.990 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2ccccc2n1 ZINC000176463383 1108685470 /nfs/dbraw/zinc/68/54/70/1108685470.db2.gz DYXTZYQOYBKCIG-OFAQMXQXSA-N -1 3 342.358 2.991 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1cccnc1OCC(F)(F)F ZINC001649248856 1108759252 /nfs/dbraw/zinc/75/92/52/1108759252.db2.gz OBKUDGFMKBATPB-LLVKDONJSA-N -1 3 338.289 2.729 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2ccccc2F)n1 ZINC000128247290 1108842115 /nfs/dbraw/zinc/84/21/15/1108842115.db2.gz UFJJDDAINCTGKJ-AWEZNQCLSA-N -1 3 348.337 2.973 20 30 EFEDHM COCCOc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1OC ZINC000914773371 1111369196 /nfs/dbraw/zinc/36/91/96/1111369196.db2.gz GTXPWOGAQTXVTE-UHFFFAOYSA-N -1 3 333.340 2.588 20 30 EFEDHM CCN(CCNc1cccc(F)c1C#N)C(=O)c1ccccc1[O-] ZINC001106695331 1111723112 /nfs/dbraw/zinc/72/31/12/1111723112.db2.gz VXQKSFLSURGLEC-UHFFFAOYSA-N -1 3 327.359 2.977 20 30 EFEDHM C=CC(C)(C)CC(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106853777 1111912858 /nfs/dbraw/zinc/91/28/58/1111912858.db2.gz AOLQWPPRLWVJBP-UHFFFAOYSA-N -1 3 336.392 2.558 20 30 EFEDHM CCN(c1snc(C)c1C#N)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001089574870 1112326470 /nfs/dbraw/zinc/32/64/70/1112326470.db2.gz QJNSLQHZCOYYLY-LLVKDONJSA-N -1 3 344.440 2.674 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NN1[C@@H](C)CCC[C@@H]1C ZINC000921231294 1112358321 /nfs/dbraw/zinc/35/83/21/1112358321.db2.gz TYAAFSIVZVTEQH-RYUDHWBXSA-N -1 3 330.432 2.502 20 30 EFEDHM N#Cc1ccc(N2CC=C(CCNC(=O)c3ccccc3[O-])CC2)cn1 ZINC001089812063 1113113878 /nfs/dbraw/zinc/11/38/78/1113113878.db2.gz QEEMUUXTASKFOK-UHFFFAOYSA-N -1 3 348.406 2.615 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000943105314 1119305978 /nfs/dbraw/zinc/30/59/78/1119305978.db2.gz OGQGJVPGBJCCQA-AWEZNQCLSA-N -1 3 330.428 2.715 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCCC[C@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC000943107717 1119307263 /nfs/dbraw/zinc/30/72/63/1119307263.db2.gz WZKRIHQLOQYIOY-HNNXBMFYSA-N -1 3 342.439 2.859 20 30 EFEDHM N#Cc1sc(NC/C=C\CNC(=O)c2ccccc2[O-])nc1Cl ZINC001107046986 1120095223 /nfs/dbraw/zinc/09/52/23/1120095223.db2.gz KBCFAILEFFJTPJ-ARJAWSKDSA-N -1 3 348.815 2.772 20 30 EFEDHM CC[C@@](C)([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1nccs1 ZINC000151488092 529507660 /nfs/dbraw/zinc/50/76/60/529507660.db2.gz LNUQREYVIUFZFW-OAHLLOKOSA-N -1 3 335.454 2.927 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000183451718 235084896 /nfs/dbraw/zinc/08/48/96/235084896.db2.gz LNIXSXPFGFCLHF-YWPYICTPSA-N -1 3 329.444 2.737 20 30 EFEDHM N#Cc1cccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)c1 ZINC000129157081 223028490 /nfs/dbraw/zinc/02/84/90/223028490.db2.gz BWHQQKPCLPEUHN-CYBMUJFWSA-N -1 3 332.347 2.958 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1cccs1 ZINC000072277048 216103295 /nfs/dbraw/zinc/10/32/95/216103295.db2.gz JWFCVSDWBOVYHE-NSHDSACASA-N -1 3 343.452 2.605 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccccc2)CC1 ZINC000072305742 216144160 /nfs/dbraw/zinc/14/41/60/216144160.db2.gz ZGBIRVDPJQSEPA-UHFFFAOYSA-N -1 3 349.434 2.644 20 30 EFEDHM Cc1cc(C)c2[n-]cc(C(=O)Nc3ccn(CCC#N)n3)c(=O)c2c1 ZINC000163806285 239110615 /nfs/dbraw/zinc/11/06/15/239110615.db2.gz ZCSVZFFALOBGGI-UHFFFAOYSA-N -1 3 335.367 2.920 20 30 EFEDHM O=S(=O)([N-]CC(F)(F)C(F)F)c1ccc(C(F)(F)F)cc1 ZINC000192133981 240028813 /nfs/dbraw/zinc/02/88/13/240028813.db2.gz AVQITOMWZSULBA-UHFFFAOYSA-N -1 3 339.232 2.884 20 30 EFEDHM N#Cc1ccccc1CSCCNC(=O)c1ccc(O)cc1[O-] ZINC000194611061 240164667 /nfs/dbraw/zinc/16/46/67/240164667.db2.gz DOFMIUOSRSEFTA-UHFFFAOYSA-N -1 3 328.393 2.633 20 30 EFEDHM COc1ccccc1-c1nc(NC(=O)C2(C#N)CCCCC2)n[n-]1 ZINC000264003921 240395761 /nfs/dbraw/zinc/39/57/61/240395761.db2.gz BTODDOONDVNJCB-UHFFFAOYSA-N -1 3 325.372 2.893 20 30 EFEDHM COc1cccc(N2CC[C@H](/N=C/c3ccc(O)c([O-])c3O)C2)c1 ZINC000263977504 240396284 /nfs/dbraw/zinc/39/62/84/240396284.db2.gz UELXVYUQTCNPCG-UZPSYVQNSA-N -1 3 328.368 2.510 20 30 EFEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1ccc(C(C)(C)C#N)cc1 ZINC000296443911 241086583 /nfs/dbraw/zinc/08/65/83/241086583.db2.gz UOJCQCKXTPPCSK-UHFFFAOYSA-N -1 3 333.388 2.883 20 30 EFEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000296443911 241086587 /nfs/dbraw/zinc/08/65/87/241086587.db2.gz UOJCQCKXTPPCSK-UHFFFAOYSA-N -1 3 333.388 2.883 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2cccc(OC[C@@H]3CCCO3)c2)c1[O-] ZINC000298316592 241149293 /nfs/dbraw/zinc/14/92/93/241149293.db2.gz WWJTZZFOJORCIY-GVLJNOETSA-N -1 3 342.395 2.896 20 30 EFEDHM CCCC(=O)Nc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000298689147 241155928 /nfs/dbraw/zinc/15/59/28/241155928.db2.gz YLHLTVFELAZZRT-RGVLZGJSSA-N -1 3 341.411 2.946 20 30 EFEDHM CCN(CC)[C@H](C/N=C/c1c([O-])c(C)ncc1CO)c1ccco1 ZINC000299304265 241173193 /nfs/dbraw/zinc/17/31/93/241173193.db2.gz ROQUKYKLMKTPTN-MWJIIQFGSA-N -1 3 331.416 2.683 20 30 EFEDHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 ZINC000328721135 241227336 /nfs/dbraw/zinc/22/73/36/241227336.db2.gz WPVVUBPCUPMFTP-WMLDXEAASA-N -1 3 333.428 2.827 20 30 EFEDHM CC1=CCN(CCNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000329110003 241305117 /nfs/dbraw/zinc/30/51/17/241305117.db2.gz QCDWPNOOPFHVGD-UHFFFAOYSA-N -1 3 332.448 2.745 20 30 EFEDHM Cc1ccc([O-])c(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 ZINC000329296831 241344139 /nfs/dbraw/zinc/34/41/39/241344139.db2.gz OXHAMOYWXNJMNH-AWEZNQCLSA-N -1 3 331.416 2.685 20 30 EFEDHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329533442 241391401 /nfs/dbraw/zinc/39/14/01/241391401.db2.gz YALUCGAWAOUHHC-STQMWFEESA-N -1 3 345.403 2.975 20 30 EFEDHM CCCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354475747 242000518 /nfs/dbraw/zinc/00/05/18/242000518.db2.gz RLYWSBFFXAVVFD-INIZCTEOSA-N -1 3 336.395 2.839 20 30 EFEDHM N#CC(=C([O-])c1cccc(OCc2cccnc2)c1)c1ccncn1 ZINC000354471697 242000814 /nfs/dbraw/zinc/00/08/14/242000814.db2.gz SXSYTFIDPMDJQS-KRWDZBQOSA-N -1 3 330.347 2.941 20 30 EFEDHM N#CC(=C([O-])c1cccc(OCc2cccnc2)c1)c1ccncn1 ZINC000354471698 242000986 /nfs/dbraw/zinc/00/09/86/242000986.db2.gz SXSYTFIDPMDJQS-QGZVFWFLSA-N -1 3 330.347 2.941 20 30 EFEDHM CSc1nccn1-c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354468037 242001504 /nfs/dbraw/zinc/00/15/04/242001504.db2.gz OXAXHKNVVVVSFD-CQSZACIVSA-N -1 3 335.392 2.874 20 30 EFEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000355830943 242048927 /nfs/dbraw/zinc/04/89/27/242048927.db2.gz LRQHGUPFAKEDBE-UHFFFAOYSA-N -1 3 326.299 2.971 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)cc2[nH]ncc21 ZINC000355869753 242049921 /nfs/dbraw/zinc/04/99/21/242049921.db2.gz QWPWXDGIKHIIKE-UHFFFAOYSA-N -1 3 326.381 2.738 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Oc1ccccc1 ZINC000355849984 242051191 /nfs/dbraw/zinc/05/11/91/242051191.db2.gz ZYYIDMDZXZRHDU-HNNXBMFYSA-N -1 3 336.457 2.847 20 30 EFEDHM CC(C)(C#N)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000354545302 242004633 /nfs/dbraw/zinc/00/46/33/242004633.db2.gz FNFANHZHYITZLF-UHFFFAOYSA-N -1 3 326.194 2.504 20 30 EFEDHM Cn1nc2ccccc2c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000357780045 242106997 /nfs/dbraw/zinc/10/69/97/242106997.db2.gz OFYJRWIINCMXJL-ZDUSSCGKSA-N -1 3 329.363 2.950 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3c4ccccc4nn3C)nc1-2 ZINC000358445190 242118942 /nfs/dbraw/zinc/11/89/42/242118942.db2.gz NKGYJULFNXPGGT-LBPRGKRZSA-N -1 3 330.351 2.643 20 30 EFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000359247858 242146776 /nfs/dbraw/zinc/14/67/76/242146776.db2.gz AFHAXNHXVNHTJW-UHFFFAOYSA-N -1 3 338.454 2.749 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CCSCC2)c1 ZINC000229276621 242153395 /nfs/dbraw/zinc/15/33/95/242153395.db2.gz QRULCBKMVNKTGJ-UHFFFAOYSA-N -1 3 330.862 2.633 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1F ZINC000427115651 247318499 /nfs/dbraw/zinc/31/84/99/247318499.db2.gz VTGOLGMOGVHNBN-UHFFFAOYSA-N -1 3 330.262 2.915 20 30 EFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427773436 247392327 /nfs/dbraw/zinc/39/23/27/247392327.db2.gz ZNYBZVXMLMWBFF-QMMMGPOBSA-N -1 3 340.298 2.551 20 30 EFEDHM COC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2OC(C)C)[n-]1 ZINC000432892746 248002541 /nfs/dbraw/zinc/00/25/41/248002541.db2.gz WWXZKYOTJNPDFE-UHFFFAOYSA-N -1 3 327.340 2.712 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000266055629 248066428 /nfs/dbraw/zinc/06/64/28/248066428.db2.gz CWSKMISQSPPYFM-QFBILLFUSA-N -1 3 349.434 2.956 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000266055632 248066909 /nfs/dbraw/zinc/06/69/09/248066909.db2.gz CWSKMISQSPPYFM-VQIMIIECSA-N -1 3 349.434 2.956 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(C#N)cc1 ZINC000266156625 248137035 /nfs/dbraw/zinc/13/70/35/248137035.db2.gz HWSQRQFKBMXUBO-UHFFFAOYSA-N -1 3 334.379 2.743 20 30 EFEDHM CCOc1cccc([C@@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435429205 248240144 /nfs/dbraw/zinc/24/01/44/248240144.db2.gz WMYNHWAVOXFQTL-GJZGRUSLSA-N -1 3 348.449 2.853 20 30 EFEDHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(C)C ZINC000435431313 248241055 /nfs/dbraw/zinc/24/10/55/248241055.db2.gz HZGHDMPCHJEEOU-CQSZACIVSA-N -1 3 335.454 2.999 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1ccccc1F ZINC000435444659 248243448 /nfs/dbraw/zinc/24/34/48/248243448.db2.gz YVFNHOGPBMVIIB-JTQLQIEISA-N -1 3 340.401 2.505 20 30 EFEDHM COc1ccc(-c2cc(C([O-])=C(C#N)c3ccccn3)n[nH]2)cc1OC ZINC000435470741 248244862 /nfs/dbraw/zinc/24/48/62/248244862.db2.gz PSKLFOZBXZEOKN-CYBMUJFWSA-N -1 3 348.362 2.979 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000435585100 249380026 /nfs/dbraw/zinc/38/00/26/249380026.db2.gz SBANSPQJTJTGTF-ABAIWWIYSA-N -1 3 331.384 2.533 20 30 EFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000442808545 250124462 /nfs/dbraw/zinc/12/44/62/250124462.db2.gz HTOUWDSCGQMKSK-RWMBFGLXSA-N -1 3 349.412 2.714 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CCN3C)n1 ZINC000093242866 218207156 /nfs/dbraw/zinc/20/71/56/218207156.db2.gz NJQXPAZMSOAJKY-GFCCVEGCSA-N -1 3 340.408 2.720 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000443257237 250176308 /nfs/dbraw/zinc/17/63/08/250176308.db2.gz YDNQJSUNMGWGAZ-XJKSGUPXSA-N -1 3 330.384 2.607 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000443101710 250160367 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C=C[C@@H](C)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443376675 250189882 /nfs/dbraw/zinc/18/98/82/250189882.db2.gz WJLRKWOWLFJTDC-SECBINFHSA-N -1 3 325.411 2.541 20 30 EFEDHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443509328 250201508 /nfs/dbraw/zinc/20/15/08/250201508.db2.gz MOWGZKUFSFKWSH-UHFFFAOYSA-N -1 3 332.400 2.835 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000445063642 250380827 /nfs/dbraw/zinc/38/08/27/250380827.db2.gz YLFCYDJZHWDGKW-NSHDSACASA-N -1 3 329.393 2.635 20 30 EFEDHM Cn1cnc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccc21 ZINC000095456243 218399499 /nfs/dbraw/zinc/39/94/99/218399499.db2.gz HIQWLWHQCUISCY-ZDUSSCGKSA-N -1 3 329.363 2.950 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1NCc1ccc(OC)c([O-])c1Br ZINC000449523095 251051755 /nfs/dbraw/zinc/05/17/55/251051755.db2.gz WNJVFOARMDZPPQ-MNOVXSKESA-N -1 3 328.206 2.596 20 30 EFEDHM COc1cc(OC)cc(N2CC[C@H](/N=C/c3ccccc3[O-])C2=O)c1 ZINC000175066461 533074533 /nfs/dbraw/zinc/07/45/33/533074533.db2.gz 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ZINC000343670392 145268068 /nfs/dbraw/zinc/26/80/68/145268068.db2.gz PBJFKDCYIWGOTH-UHFFFAOYSA-N -1 3 345.330 2.606 20 30 EFEDHM Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)cc12 ZINC000352877249 146338570 /nfs/dbraw/zinc/33/85/70/146338570.db2.gz QEHUYXXLRRHJPQ-UHFFFAOYSA-N -1 3 348.771 2.857 20 30 EFEDHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(C)C ZINC000355625623 147015592 /nfs/dbraw/zinc/01/55/92/147015592.db2.gz AIFFJUCOFQOUEC-UKRRQHHQSA-N -1 3 342.848 2.694 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)c(Cl)c1 ZINC000355636151 147018797 /nfs/dbraw/zinc/01/87/97/147018797.db2.gz QTLMSHVPJPTGOS-CQSZACIVSA-N -1 3 348.811 2.883 20 30 EFEDHM COC(=O)c1cccc2nc(NC(=O)[C@H](C)c3cccc(C#N)c3)[n-]c21 ZINC000360379616 148346705 /nfs/dbraw/zinc/34/67/05/148346705.db2.gz NWRAWJJNTFDXDY-LLVKDONJSA-N -1 3 348.362 2.963 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)c3cccc(C#N)c3)nc21 ZINC000360379616 148346708 /nfs/dbraw/zinc/34/67/08/148346708.db2.gz NWRAWJJNTFDXDY-LLVKDONJSA-N -1 3 348.362 2.963 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000360382075 148347242 /nfs/dbraw/zinc/34/72/42/148347242.db2.gz AAVWESPEEYTUBG-UHFFFAOYSA-N -1 3 336.363 2.748 20 30 EFEDHM COc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c([O-])c1 ZINC000374452872 151350343 /nfs/dbraw/zinc/35/03/43/151350343.db2.gz OIRYTDUMRXDIPO-UHFFFAOYSA-N -1 3 348.362 2.593 20 30 EFEDHM CC[C@](C)([N-]S(=O)(=O)c1ccccc1C#N)c1nc(C)cs1 ZINC000122136476 222021713 /nfs/dbraw/zinc/02/17/13/222021713.db2.gz XWTUTOBIOHLAKL-HNNXBMFYSA-N -1 3 335.454 2.927 20 30 EFEDHM COc1ccc(CC[C@@](C)(NCc2nc(C#N)cs2)C(=O)[O-])cc1 ZINC000417593457 269777055 /nfs/dbraw/zinc/77/70/55/269777055.db2.gz VGHAWHKOTBIGBI-QGZVFWFLSA-N -1 3 345.424 2.589 20 30 EFEDHM N#Cc1cnc2ccccc2c1NCCNC(=O)c1ccc([O-])cc1 ZINC000301499689 270025693 /nfs/dbraw/zinc/02/56/93/270025693.db2.gz DEHLLOUKHSJACR-UHFFFAOYSA-N -1 3 332.363 2.654 20 30 EFEDHM N#Cc1ncn(-c2ccccc2NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000356678126 270027055 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C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)C1 ZINC000331281410 267030875 /nfs/dbraw/zinc/03/08/75/267030875.db2.gz QVFYTJZHCLIIDT-MDZLAQPJSA-N -1 3 337.401 2.569 20 30 EFEDHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000274760642 267088092 /nfs/dbraw/zinc/08/80/92/267088092.db2.gz NJNMQLKRWWZIDW-VXGBXAGGSA-N -1 3 342.848 2.695 20 30 EFEDHM C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)c([O-])c2)CN1Cc1ccccc1 ZINC000188731464 267091693 /nfs/dbraw/zinc/09/16/93/267091693.db2.gz IKFKCRQPTWCYLM-KDOFPFPSSA-N -1 3 335.407 2.657 20 30 EFEDHM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1cccnc1C#N ZINC000277020943 267100545 /nfs/dbraw/zinc/10/05/45/267100545.db2.gz MWFJWNIOHOETGQ-AWEZNQCLSA-N -1 3 345.424 2.782 20 30 EFEDHM CC(C)Oc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000277074642 267110529 /nfs/dbraw/zinc/11/05/29/267110529.db2.gz TVXKDTHJURHWQU-CYBMUJFWSA-N -1 3 345.424 2.780 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(C2CC2)c1 ZINC000297277828 267187748 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N#Cc1ccc(N2CCC(C(=O)Nc3ncccc3[O-])CC2)c(F)c1 ZINC000286249273 268105669 /nfs/dbraw/zinc/10/56/69/268105669.db2.gz ZJJFWNLQEOJTNH-UHFFFAOYSA-N -1 3 340.358 2.653 20 30 EFEDHM N#Cc1ccc(NC(=O)[N-]OC[C@@H]2CCOC2)cc1C(F)(F)F ZINC000276234012 268148904 /nfs/dbraw/zinc/14/89/04/268148904.db2.gz CZIJTSDXXXWXPB-SECBINFHSA-N -1 3 329.278 2.667 20 30 EFEDHM N#Cc1ccc(O[C@@H]2CCN(Cc3cccc([O-])c3Cl)C2)nc1 ZINC000293884456 268183116 /nfs/dbraw/zinc/18/31/16/268183116.db2.gz JYWJQKVWRZERQJ-CQSZACIVSA-N -1 3 329.787 2.966 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)cc1F ZINC000296309523 268202405 /nfs/dbraw/zinc/20/24/05/268202405.db2.gz SNDWHTRVOGGUPM-NSHDSACASA-N -1 3 332.347 2.801 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000331188945 268203274 /nfs/dbraw/zinc/20/32/74/268203274.db2.gz VSYRYCBICYXKOO-MFKMUULPSA-N -1 3 347.362 2.600 20 30 EFEDHM N#Cc1ccc(C2=CCN(C(=O)c3cccc4[n-]nnc43)CC2)cc1 ZINC000527362066 268213572 /nfs/dbraw/zinc/21/35/72/268213572.db2.gz 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348.811 2.932 20 30 EFEDHM CCOC(=O)c1csc([N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000152374564 293330729 /nfs/dbraw/zinc/33/07/29/293330729.db2.gz YMZQCBKOEXKSBR-UHFFFAOYSA-N -1 3 337.307 2.722 20 30 EFEDHM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156666703 293519034 /nfs/dbraw/zinc/51/90/34/293519034.db2.gz GUKYWTREUUNCQC-UHFFFAOYSA-N -1 3 348.399 2.963 20 30 EFEDHM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1(C)C ZINC000342986126 293993484 /nfs/dbraw/zinc/99/34/84/293993484.db2.gz ASTHIWLATPBYEE-CUOATXAZSA-N -1 3 342.848 2.549 20 30 EFEDHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(C)C ZINC000355625622 294153577 /nfs/dbraw/zinc/15/35/77/294153577.db2.gz AIFFJUCOFQOUEC-HIFRSBDPSA-N -1 3 342.848 2.694 20 30 EFEDHM C[C@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428377652 300087651 /nfs/dbraw/zinc/08/76/51/300087651.db2.gz VCOBMOMSZSHREI-GTNSWQLSSA-N -1 3 345.399 2.694 20 30 EFEDHM Cc1nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)sc1C ZINC000040463276 302602413 /nfs/dbraw/zinc/60/24/13/302602413.db2.gz UTYQTRQXDYVLFD-UHFFFAOYSA-N -1 3 330.413 2.508 20 30 EFEDHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151029640 310678291 /nfs/dbraw/zinc/67/82/91/310678291.db2.gz RWZWTWOTHLXBNA-UHFFFAOYSA-N -1 3 348.399 2.535 20 30 EFEDHM O=C(/C=C/c1c(Cl)cccc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000493449713 314361175 /nfs/dbraw/zinc/36/11/75/314361175.db2.gz KROOGCHATGYNTR-SYTKJHMZSA-N -1 3 329.183 2.503 20 30 EFEDHM O=C(/C=C\c1cc(Cl)ccc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000493476560 314370481 /nfs/dbraw/zinc/37/04/81/314370481.db2.gz DIFVCNIIGGLTOI-RYBZSIHZSA-N -1 3 329.183 2.503 20 30 EFEDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000543687655 317858163 /nfs/dbraw/zinc/85/81/63/317858163.db2.gz MIBJPVMBPISCMQ-SECBINFHSA-N -1 3 339.417 2.544 20 30 EFEDHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000549235428 318169997 /nfs/dbraw/zinc/16/99/97/318169997.db2.gz XLEYIXXULNLVTL-CLLJXQQHSA-N -1 3 340.420 2.569 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000566834109 319113755 /nfs/dbraw/zinc/11/37/55/319113755.db2.gz KXNFZIZSTVNLRR-DZGCQCFKSA-N -1 3 334.347 2.671 20 30 EFEDHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000572323209 319657220 /nfs/dbraw/zinc/65/72/20/319657220.db2.gz JMGHTSKFMUTAMX-UHFFFAOYSA-N -1 3 347.415 2.602 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC000574841907 319899516 /nfs/dbraw/zinc/89/95/16/319899516.db2.gz QZDMUBMHGFEORT-HZPDHXFCSA-N -1 3 341.436 2.815 20 30 EFEDHM COc1cnc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)nc1 ZINC000576837327 320053669 /nfs/dbraw/zinc/05/36/69/320053669.db2.gz IMERFCZZVJSOIX-SECBINFHSA-N -1 3 328.397 2.795 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(N)ccc32)s1 ZINC000388732465 323770574 /nfs/dbraw/zinc/77/05/74/323770574.db2.gz OWOQXXUGQIVXIM-CQSZACIVSA-N -1 3 333.438 2.558 20 30 EFEDHM Cc1[n-][nH]c(=O)c1CCNc1c(C#N)cnc2c(Cl)cccc21 ZINC000583809220 324875978 /nfs/dbraw/zinc/87/59/78/324875978.db2.gz IWEOMEYXTBEEGW-LLVKDONJSA-N -1 3 327.775 2.684 20 30 EFEDHM Cc1nc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)sc1C ZINC000618382182 450186335 /nfs/dbraw/zinc/18/63/35/450186335.db2.gz WAIRRFMPIYNLML-UHFFFAOYSA-N -1 3 338.396 2.524 20 30 EFEDHM CCOc1cc([N+](=O)[O-])c(C([O-])=C(C#N)c2ccccn2)cc1OC ZINC000049457213 472949555 /nfs/dbraw/zinc/94/95/55/472949555.db2.gz LWTLWTPYTCYMMQ-LBPRGKRZSA-N -1 3 341.323 2.887 20 30 EFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c1 ZINC000112266292 473251664 /nfs/dbraw/zinc/25/16/64/473251664.db2.gz SVONOLJKYUPMSE-UHFFFAOYSA-N -1 3 336.800 2.699 20 30 EFEDHM Cc1nc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)sc1C ZINC000184999484 473297144 /nfs/dbraw/zinc/29/71/44/473297144.db2.gz GHIVCPRFBJMWEK-UHFFFAOYSA-N -1 3 341.845 2.764 20 30 EFEDHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000185040439 473308208 /nfs/dbraw/zinc/30/82/08/473308208.db2.gz RJDRJZOJLADLFT-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM N#Cc1c([N-]C(=O)c2scnc2C(F)(F)F)n[nH]c1C1CC1 ZINC000601739512 468998106 /nfs/dbraw/zinc/99/81/06/468998106.db2.gz WAQCVIPCDKVURG-UHFFFAOYSA-N -1 3 327.291 2.886 20 30 EFEDHM COc1ccc(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000096188007 473328660 /nfs/dbraw/zinc/32/86/60/473328660.db2.gz OXEZOZAAWRJFHF-XGICHPGQSA-N -1 3 331.393 2.963 20 30 EFEDHM C=CCc1cc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc(OC)c1O ZINC000628375009 479884335 /nfs/dbraw/zinc/88/43/35/479884335.db2.gz STRXQERMDRNNQF-UHFFFAOYSA-N -1 3 343.427 2.958 20 30 EFEDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000361963125 475899620 /nfs/dbraw/zinc/89/96/20/475899620.db2.gz SFJLSDIDKZYOIE-SNVBAGLBSA-N -1 3 336.335 2.576 20 30 EFEDHM Cc1cc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)ccc1C#N ZINC000488231298 478133013 /nfs/dbraw/zinc/13/30/13/478133013.db2.gz HPGRDMRAGSTNCB-UHFFFAOYSA-N -1 3 335.407 2.530 20 30 EFEDHM Cc1cc(C)c(NC(=O)C/N=C/c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000005110957 471486287 /nfs/dbraw/zinc/48/62/87/471486287.db2.gz TWPCVVSYDNQVTF-DNTJNYDQSA-N -1 3 341.411 2.571 20 30 EFEDHM COc1cc(/C=C/C(=O)[N-]OCc2ccccc2)ccc1OCC#N ZINC000008096826 471662173 /nfs/dbraw/zinc/66/21/73/471662173.db2.gz QEMNCVHGWWRJIL-CSKARUKUSA-N -1 3 338.363 2.859 20 30 EFEDHM CCOC(=O)c1sc([N-]C(=O)c2c(C)noc2C)c(C#N)c1C ZINC000014596590 471875218 /nfs/dbraw/zinc/87/52/18/471875218.db2.gz GHXDUFREXUXZAU-UHFFFAOYSA-N -1 3 333.369 2.962 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2cc3c(cc2Cl)OCCO3)c1[O-] ZINC000017701568 471963475 /nfs/dbraw/zinc/96/34/75/471963475.db2.gz ASMCRXWJMCTGNO-FBCYGCLPSA-N -1 3 334.759 2.763 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)cc1F ZINC000019678900 471983512 /nfs/dbraw/zinc/98/35/12/471983512.db2.gz QQAJKGUYZRMSLT-UHFFFAOYSA-N -1 3 331.322 2.713 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000054184946 472065123 /nfs/dbraw/zinc/06/51/23/472065123.db2.gz ADYNYPGXMWNXIS-SECBINFHSA-N -1 3 335.198 2.559 20 30 EFEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1OC ZINC000026542419 472142202 /nfs/dbraw/zinc/14/22/02/472142202.db2.gz CMUPYEQJNGYAHP-UHFFFAOYSA-N -1 3 346.408 2.879 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)c(F)cc1F ZINC000084675060 472206757 /nfs/dbraw/zinc/20/67/57/472206757.db2.gz DBRNASODKFUKFW-UHFFFAOYSA-N -1 3 340.326 2.763 20 30 EFEDHM COc1cc(C)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000055818705 472242262 /nfs/dbraw/zinc/24/22/62/472242262.db2.gz BEWYHIKHDOXBEN-UHFFFAOYSA-N -1 3 339.395 2.752 20 30 EFEDHM C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000029811762 472297915 /nfs/dbraw/zinc/29/79/15/472297915.db2.gz VSEJBBKREJDWJO-LBPRGKRZSA-N -1 3 343.387 2.730 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(N3CCOC3=O)c2)nc(C)n1 ZINC000076320778 472319969 /nfs/dbraw/zinc/31/99/69/472319969.db2.gz FMINIOBVEVNJLS-HNNXBMFYSA-N -1 3 336.351 2.540 20 30 EFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)/C=C\c1cccc(C#N)c1 ZINC000056667937 472343577 /nfs/dbraw/zinc/34/35/77/472343577.db2.gz FFYSKGPHPQOBOK-KTKRTIGZSA-N -1 3 341.392 2.582 20 30 EFEDHM C=CCN(C)C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000154169908 472397573 /nfs/dbraw/zinc/39/75/73/472397573.db2.gz OUXAKQPAQDVFOZ-AATRIKPKSA-N -1 3 326.190 2.821 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2ccc(C#N)cc2)cc1 ZINC000076763166 472399678 /nfs/dbraw/zinc/39/96/78/472399678.db2.gz WPNUDYOQMKNUNY-UHFFFAOYSA-N -1 3 346.433 2.905 20 30 EFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000089495657 472451588 /nfs/dbraw/zinc/45/15/88/472451588.db2.gz JEWUISJEJBNJPT-UHFFFAOYSA-N -1 3 342.417 2.516 20 30 EFEDHM COC(=O)c1cccc(CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000089508849 472452612 /nfs/dbraw/zinc/45/26/12/472452612.db2.gz UNOQMHLWUVMZJO-UHFFFAOYSA-N -1 3 340.339 2.990 20 30 EFEDHM COC(=O)c1cccc(CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000089508849 472452618 /nfs/dbraw/zinc/45/26/18/472452618.db2.gz UNOQMHLWUVMZJO-UHFFFAOYSA-N -1 3 340.339 2.990 20 30 EFEDHM COC(=O)c1cccc(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000089508849 472452624 /nfs/dbraw/zinc/45/26/24/472452624.db2.gz UNOQMHLWUVMZJO-UHFFFAOYSA-N -1 3 340.339 2.990 20 30 EFEDHM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000070448196 472496660 /nfs/dbraw/zinc/49/66/60/472496660.db2.gz FMQIBFRQILGDGZ-VIFPVBQESA-N -1 3 325.376 2.609 20 30 EFEDHM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000070448196 472496665 /nfs/dbraw/zinc/49/66/65/472496665.db2.gz FMQIBFRQILGDGZ-VIFPVBQESA-N -1 3 325.376 2.609 20 30 EFEDHM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000070448196 472496672 /nfs/dbraw/zinc/49/66/72/472496672.db2.gz FMQIBFRQILGDGZ-VIFPVBQESA-N -1 3 325.376 2.609 20 30 EFEDHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000155055686 472502457 /nfs/dbraw/zinc/50/24/57/472502457.db2.gz LOHRLXYCWVVAAB-AWEZNQCLSA-N -1 3 344.864 2.533 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1c(C)noc1C ZINC000119358389 472549151 /nfs/dbraw/zinc/54/91/51/472549151.db2.gz GHUYDHQHRGQWQO-ZDUSSCGKSA-N -1 3 337.376 2.732 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000130302412 472596212 /nfs/dbraw/zinc/59/62/12/472596212.db2.gz GRISUNNJDQNVCU-UHFFFAOYSA-N -1 3 339.279 2.545 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccc(F)cc21 ZINC000058741834 472597592 /nfs/dbraw/zinc/59/75/92/472597592.db2.gz VDZQIXGGCVVEKT-UHFFFAOYSA-N -1 3 339.370 2.524 20 30 EFEDHM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000071890768 472601766 /nfs/dbraw/zinc/60/17/66/472601766.db2.gz QALQFZZMYZLOFA-MNOVXSKESA-N -1 3 334.351 2.783 20 30 EFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000613446075 480002125 /nfs/dbraw/zinc/00/21/25/480002125.db2.gz HSEQAPMYJHRDRT-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nccs1 ZINC000120420500 472684934 /nfs/dbraw/zinc/68/49/34/472684934.db2.gz RFHYHZFIBFUXDO-AWEZNQCLSA-N -1 3 339.417 2.758 20 30 EFEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000104756482 472690739 /nfs/dbraw/zinc/69/07/39/472690739.db2.gz OSRWZWDCWYRWGT-UHFFFAOYSA-N -1 3 335.454 2.791 20 30 EFEDHM COc1ccccc1OCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047343400 472694502 /nfs/dbraw/zinc/69/45/02/472694502.db2.gz DSRXZPQGPBVIGZ-UHFFFAOYSA-N -1 3 325.328 2.542 20 30 EFEDHM COc1ccccc1OCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343400 472694507 /nfs/dbraw/zinc/69/45/07/472694507.db2.gz DSRXZPQGPBVIGZ-UHFFFAOYSA-N -1 3 325.328 2.542 20 30 EFEDHM COc1ccccc1OCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047343400 472694511 /nfs/dbraw/zinc/69/45/11/472694511.db2.gz DSRXZPQGPBVIGZ-UHFFFAOYSA-N -1 3 325.328 2.542 20 30 EFEDHM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc12 ZINC000047359349 472696775 /nfs/dbraw/zinc/69/67/75/472696775.db2.gz DAMKXFZOTUKWJF-CYBMUJFWSA-N -1 3 330.351 2.643 20 30 EFEDHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000156680722 472739431 /nfs/dbraw/zinc/73/94/31/472739431.db2.gz RRAPWPCYNMISNV-UHFFFAOYSA-N -1 3 348.399 2.617 20 30 EFEDHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156695441 472740913 /nfs/dbraw/zinc/74/09/13/472740913.db2.gz OABZJSSTYBNDGJ-LLVKDONJSA-N -1 3 336.363 2.746 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000156729395 472745675 /nfs/dbraw/zinc/74/56/75/472745675.db2.gz AIVRZBRAZFKHIP-OAHLLOKOSA-N -1 3 334.347 2.802 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000156919036 472766154 /nfs/dbraw/zinc/76/61/54/472766154.db2.gz ZZRDVXREEDXJOY-UHFFFAOYSA-N -1 3 342.848 2.839 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCCC1(C)C ZINC000157125903 472788794 /nfs/dbraw/zinc/78/87/94/472788794.db2.gz KQCVTNNMDURCAV-MRXNPFEDSA-N -1 3 329.444 2.881 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)c2cc(F)cc(Cl)c2[O-])CC1 ZINC000133379188 472798051 /nfs/dbraw/zinc/79/80/51/472798051.db2.gz WUEQBMFEHFKZEP-UHFFFAOYSA-N -1 3 326.799 2.955 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000121113068 472800995 /nfs/dbraw/zinc/80/09/95/472800995.db2.gz 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/nfs/dbraw/zinc/83/47/58/472834758.db2.gz QPUYXQKBGGUHSR-VIFPVBQESA-N -1 3 339.804 2.856 20 30 EFEDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000157663172 472844891 /nfs/dbraw/zinc/84/48/91/472844891.db2.gz WCSXXMRFIDWYBC-UHFFFAOYSA-N -1 3 339.417 2.676 20 30 EFEDHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157759407 472855216 /nfs/dbraw/zinc/85/52/16/472855216.db2.gz BJAUHMHKLHPVPN-NSHDSACASA-N -1 3 339.417 2.960 20 30 EFEDHM C[C@H](CN1CCN(C)CC1)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000106586443 472869245 /nfs/dbraw/zinc/86/92/45/472869245.db2.gz PTMNWUOAYPDCBN-PBFYJAPKSA-N -1 3 330.259 2.754 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000158022024 472883276 /nfs/dbraw/zinc/88/32/76/472883276.db2.gz JGPICCWJYYJKRS-STQMWFEESA-N -1 3 329.444 2.691 20 30 EFEDHM O=C(CCNC(=O)c1ccc(F)cc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000065044804 472894777 /nfs/dbraw/zinc/89/47/77/472894777.db2.gz MYIGCUSAVVRJIC-UHFFFAOYSA-N -1 3 343.318 2.612 20 30 EFEDHM O=C(CCNC(=O)c1ccc(F)cc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000065044804 472894782 /nfs/dbraw/zinc/89/47/82/472894782.db2.gz MYIGCUSAVVRJIC-UHFFFAOYSA-N -1 3 343.318 2.612 20 30 EFEDHM O=C(CCNC(=O)c1ccc(F)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000065044804 472894791 /nfs/dbraw/zinc/89/47/91/472894791.db2.gz MYIGCUSAVVRJIC-UHFFFAOYSA-N -1 3 343.318 2.612 20 30 EFEDHM CC(=O)Nc1ccc(F)c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000065061141 472895770 /nfs/dbraw/zinc/89/57/70/472895770.db2.gz PQFUJNMERQSTED-UHFFFAOYSA-N -1 3 340.318 2.601 20 30 EFEDHM CC(=O)Nc1ccc(F)c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000065061141 472895778 /nfs/dbraw/zinc/89/57/78/472895778.db2.gz PQFUJNMERQSTED-UHFFFAOYSA-N -1 3 340.318 2.601 20 30 EFEDHM CC[C@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000073954450 472909304 /nfs/dbraw/zinc/90/93/04/472909304.db2.gz QLXKJOXBMPDFER-YOEHRIQHSA-N -1 3 329.444 2.881 20 30 EFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc2c(c1)NC(=O)CS2 ZINC000073972986 472913449 /nfs/dbraw/zinc/91/34/49/472913449.db2.gz 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WWKZIZJCPWRBAJ-SFHVURJKSA-N -1 3 335.407 2.723 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)ccc1O ZINC000052842250 473153472 /nfs/dbraw/zinc/15/34/72/473153472.db2.gz FHVBZVIQQLLGEU-UHFFFAOYSA-N -1 3 345.786 2.794 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c1 ZINC000160835515 473180913 /nfs/dbraw/zinc/18/09/13/473180913.db2.gz PXCAJOAQBDVQPS-NSHDSACASA-N -1 3 330.862 2.776 20 30 EFEDHM C=CCOc1ccc(/C=C/C(=O)[N-]OCc2cccnc2)cc1OC ZINC000160859688 473185314 /nfs/dbraw/zinc/18/53/14/473185314.db2.gz CXQZFJPQHXYQIX-VQHVLOKHSA-N -1 3 340.379 2.916 20 30 EFEDHM C=CCCS(=O)(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000123909029 473196454 /nfs/dbraw/zinc/19/64/54/473196454.db2.gz SYLNGNZMPNUVBY-UHFFFAOYSA-N -1 3 348.262 2.883 20 30 EFEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2cnc(-c3ncccn3)s2)n1 ZINC000160987501 473196771 /nfs/dbraw/zinc/19/67/71/473196771.db2.gz ITPLUXFADXRXDF-UHFFFAOYSA-N -1 3 339.384 2.501 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(O)CCCCCC1 ZINC000160983218 473196798 /nfs/dbraw/zinc/19/67/98/473196798.db2.gz QYQOZDLCUGXUIL-UHFFFAOYSA-N -1 3 342.848 2.575 20 30 EFEDHM C#CCN1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])CC1 ZINC000081458875 473202589 /nfs/dbraw/zinc/20/25/89/473202589.db2.gz QWETUKOUWYMMRB-UHFFFAOYSA-N -1 3 326.318 2.695 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc3cccnc32)c(F)c1 ZINC000151113636 473410335 /nfs/dbraw/zinc/41/03/35/473410335.db2.gz HBMPPADAEWCXBM-UHFFFAOYSA-N -1 3 341.367 2.724 20 30 EFEDHM Cn1ccnc1-c1csc([N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000125690897 473446951 /nfs/dbraw/zinc/44/69/51/473446951.db2.gz WDPJZXIGHXRONU-UHFFFAOYSA-N -1 3 345.334 2.946 20 30 EFEDHM Cc1nc(C(=O)NCc2ccc([O-])c(Br)c2)ccc1C#N ZINC000178023017 473460590 /nfs/dbraw/zinc/46/05/90/473460590.db2.gz PMXCSJQBBBTEAP-UHFFFAOYSA-N -1 3 346.184 2.660 20 30 EFEDHM Cc1cccc2c1CCN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000125892843 473468837 /nfs/dbraw/zinc/46/88/37/473468837.db2.gz PIYKNEAJURFFNL-UHFFFAOYSA-N -1 3 335.407 2.694 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)c(F)c1 ZINC000151654268 473481954 /nfs/dbraw/zinc/48/19/54/473481954.db2.gz PHPUPWJVOLFYNE-UHFFFAOYSA-N -1 3 334.347 2.804 20 30 EFEDHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c([O-])c1C ZINC000114558102 473481919 /nfs/dbraw/zinc/48/19/19/473481919.db2.gz XHCOGXSNOONCFJ-GOSISDBHSA-N -1 3 349.434 2.859 20 30 EFEDHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000191174317 473497761 /nfs/dbraw/zinc/49/77/61/473497761.db2.gz QAXNFJSQKFCPOC-UHFFFAOYSA-N -1 3 335.772 2.610 20 30 EFEDHM COCCC(C)(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185838055 473528048 /nfs/dbraw/zinc/52/80/48/473528048.db2.gz BXRMWUJBPHRUFP-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000126860106 473553522 /nfs/dbraw/zinc/55/35/22/473553522.db2.gz HPYYXZMTKAZEIB-JCURWCKSSA-N -1 3 344.823 2.828 20 30 EFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191555563 473554345 /nfs/dbraw/zinc/55/43/45/473554345.db2.gz WLAUKEWJSQHDFL-SUMWQHHRSA-N -1 3 332.425 2.812 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1cc2ccccc2o1 ZINC000170656748 473577021 /nfs/dbraw/zinc/57/70/21/473577021.db2.gz SNIYLRNFNJOEFX-NSHDSACASA-N -1 3 327.365 2.739 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186151136 473601931 /nfs/dbraw/zinc/60/19/31/473601931.db2.gz XVZPANOKTSTFQS-IBGZPJMESA-N -1 3 325.387 2.914 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000186166611 473605413 /nfs/dbraw/zinc/60/54/13/473605413.db2.gz SPWBRXHOJXYWLF-LBPRGKRZSA-N -1 3 342.848 2.839 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000186368911 473661777 /nfs/dbraw/zinc/66/17/77/473661777.db2.gz XEZZPGIWBMIRCX-UHFFFAOYSA-N -1 3 332.812 2.657 20 30 EFEDHM C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)c2c([O-])cccc21 ZINC000186392779 473666125 /nfs/dbraw/zinc/66/61/25/473666125.db2.gz YVPXWOIUCBLWSM-CYBMUJFWSA-N -1 3 349.390 2.534 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000186437771 473674197 /nfs/dbraw/zinc/67/41/97/473674197.db2.gz QQXLNTDQMBWXFI-SECBINFHSA-N -1 3 331.781 2.527 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000179459558 473688527 /nfs/dbraw/zinc/68/85/27/473688527.db2.gz BNMPUHIHTHLYLV-UHFFFAOYSA-N -1 3 336.395 2.545 20 30 EFEDHM COC(=O)c1cccc(NC(=O)c2c(F)cc(C#N)cc2F)c1[O-] ZINC000179716373 473712338 /nfs/dbraw/zinc/71/23/38/473712338.db2.gz QETRAMDQIQTLDU-UHFFFAOYSA-N -1 3 332.262 2.581 20 30 EFEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3ccccn3)cn2)C[C@@H](C)O1 ZINC000193251357 473776761 /nfs/dbraw/zinc/77/67/61/473776761.db2.gz RXGVFODNBUDELA-FMKPAKJESA-N -1 3 336.395 2.580 20 30 EFEDHM CCCCCCCC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000180062085 473788265 /nfs/dbraw/zinc/78/82/65/473788265.db2.gz LAIVIWVHGCOLAQ-OAHLLOKOSA-N -1 3 331.416 2.736 20 30 EFEDHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(C)cs1 ZINC000173373506 473818182 /nfs/dbraw/zinc/81/81/82/473818182.db2.gz HAMKXKVUABSDBU-OAHLLOKOSA-N -1 3 335.454 2.927 20 30 EFEDHM CCCCCCCC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000269512526 473826326 /nfs/dbraw/zinc/82/63/26/473826326.db2.gz IMBAXURPDQZDAO-UHFFFAOYSA-N -1 3 332.491 2.503 20 30 EFEDHM C=CCC(CC=C)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281779511 473833845 /nfs/dbraw/zinc/83/38/45/473833845.db2.gz RLROIBTWSKXPOF-UHFFFAOYSA-N -1 3 332.366 2.672 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(c2ccccn2)CC1 ZINC000194068905 473837934 /nfs/dbraw/zinc/83/79/34/473837934.db2.gz PIJAYCNKEZDURX-UHFFFAOYSA-N -1 3 347.827 2.617 20 30 EFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2)C2CC2)s1 ZINC000173485324 473851427 /nfs/dbraw/zinc/85/14/27/473851427.db2.gz UOONBYDNKCGURK-AWEZNQCLSA-N -1 3 333.438 2.753 20 30 EFEDHM N#CCCCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000281908614 473881297 /nfs/dbraw/zinc/88/12/97/473881297.db2.gz OSTABBGNCPBUJV-UHFFFAOYSA-N -1 3 335.198 2.560 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000187651502 473899075 /nfs/dbraw/zinc/89/90/75/473899075.db2.gz BJSPFCXDUXLUHT-JTQLQIEISA-N -1 3 346.380 2.766 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(F)(F)F ZINC000288298338 473902209 /nfs/dbraw/zinc/90/22/09/473902209.db2.gz GPMYOWFBXQQPKY-ZCFIWIBFSA-N -1 3 346.252 2.806 20 30 EFEDHM O=C([N-]CCc1ccc(OCC(F)(F)F)nc1)C(F)(F)C(F)F ZINC000274757805 473946100 /nfs/dbraw/zinc/94/61/00/473946100.db2.gz ODFDYNVFUXWLSX-UHFFFAOYSA-N -1 3 348.218 2.582 20 30 EFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)OCC ZINC000270036084 473962950 /nfs/dbraw/zinc/96/29/50/473962950.db2.gz MWUKARFUYMKGRW-CQSZACIVSA-N -1 3 344.408 2.507 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000181092037 474003906 /nfs/dbraw/zinc/00/39/06/474003906.db2.gz CRNKIQCAAVNTID-OAHLLOKOSA-N -1 3 345.443 2.604 20 30 EFEDHM N#Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1[O-] ZINC000188214074 474020701 /nfs/dbraw/zinc/02/07/01/474020701.db2.gz SGWHNTWZLYKONM-UHFFFAOYSA-N -1 3 335.407 2.658 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[O-] ZINC000188232917 474027513 /nfs/dbraw/zinc/02/75/13/474027513.db2.gz WAEGNUWDLOHFAN-HNNXBMFYSA-N -1 3 341.436 2.892 20 30 EFEDHM N#Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)cc1[O-] ZINC000188239428 474030888 /nfs/dbraw/zinc/03/08/88/474030888.db2.gz GHJHHNLSHXOKKF-UHFFFAOYSA-N -1 3 335.407 2.612 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000181403672 474034685 /nfs/dbraw/zinc/03/46/85/474034685.db2.gz NULIGCKQFYKWLI-HNNXBMFYSA-N -1 3 345.443 2.604 20 30 EFEDHM CCOC1CC(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000188298007 474050040 /nfs/dbraw/zinc/05/00/40/474050040.db2.gz HYYDVSLQINNASP-UHFFFAOYSA-N -1 3 342.848 2.695 20 30 EFEDHM CCOC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000188395715 474082418 /nfs/dbraw/zinc/08/24/18/474082418.db2.gz SMLRAQHCZJYJCX-CYBMUJFWSA-N -1 3 330.837 2.551 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2ccc(OC(C)C)cc2)c1[O-] ZINC000265180624 474168762 /nfs/dbraw/zinc/16/87/62/474168762.db2.gz DWNHXMSJHPQGCN-DZZWEGAPSA-N -1 3 344.411 2.528 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2ccc(O[C@@H]3CCOC3)cc2)c1[O-] ZINC000265736398 474314754 /nfs/dbraw/zinc/31/47/54/474314754.db2.gz ZJMBZJFVKJKBSP-UGNSCYDZSA-N -1 3 328.368 2.506 20 30 EFEDHM CCC[C@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000183068607 474318784 /nfs/dbraw/zinc/31/87/84/474318784.db2.gz ULPLVKZGSWOLDS-HNNXBMFYSA-N -1 3 329.444 2.977 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccccc2)c(Cl)c1 ZINC000183399920 474377569 /nfs/dbraw/zinc/37/75/69/474377569.db2.gz HOPLZTJSRDJDGL-UHFFFAOYSA-N -1 3 336.800 2.569 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOC2CCCC2)c(Cl)c1 ZINC000183608651 474399330 /nfs/dbraw/zinc/39/93/30/474399330.db2.gz RRJSETYRTJMKEV-UHFFFAOYSA-N -1 3 342.848 2.839 20 30 EFEDHM C[C@@H](CON=C([O-])Nc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000271157983 474409260 /nfs/dbraw/zinc/40/92/60/474409260.db2.gz VUBLBZYZPUBCCV-NSHDSACASA-N -1 3 334.376 2.525 20 30 EFEDHM C[C@@H](CO[N-]C(=O)Nc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000271157983 474409265 /nfs/dbraw/zinc/40/92/65/474409265.db2.gz VUBLBZYZPUBCCV-NSHDSACASA-N -1 3 334.376 2.525 20 30 EFEDHM CCC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCOCC1 ZINC000266730090 474462819 /nfs/dbraw/zinc/46/28/19/474462819.db2.gz VOIVJHLFYJNFSA-UHFFFAOYSA-N -1 3 345.443 2.531 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc(F)ccc21 ZINC000283671156 474463415 /nfs/dbraw/zinc/46/34/15/474463415.db2.gz RMTRFTSWJHPRRE-UHFFFAOYSA-N -1 3 339.370 2.937 20 30 EFEDHM CC(C)(C#N)c1ccc(NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000608984846 480108069 /nfs/dbraw/zinc/10/80/69/480108069.db2.gz FADGWJYZTQOXEP-UHFFFAOYSA-N -1 3 337.379 2.562 20 30 EFEDHM COc1ccc([C@H](OC)[C@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000271355370 474507562 /nfs/dbraw/zinc/50/75/62/474507562.db2.gz WWCFGCVWMLDVOC-CGVNOOKGSA-N -1 3 344.411 2.792 20 30 EFEDHM C=CCN(C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C1CC1 ZINC000271354986 474507752 /nfs/dbraw/zinc/50/77/52/474507752.db2.gz FJYCYUHPSVVBFD-UHFFFAOYSA-N -1 3 338.411 2.662 20 30 EFEDHM O=S(=O)([N-]CC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC000283904033 474524220 /nfs/dbraw/zinc/52/42/20/474524220.db2.gz CZHPKUJSBDCIBV-UHFFFAOYSA-N -1 3 325.205 2.685 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1[n-]c(CCCC)nc1C(=O)OCC ZINC000276711595 474569372 /nfs/dbraw/zinc/56/93/72/474569372.db2.gz ADGUYLWTDMQZPJ-LBPRGKRZSA-N -1 3 337.420 2.849 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1nc(CCCC)[n-]c1C(=O)OCC ZINC000276711595 474569378 /nfs/dbraw/zinc/56/93/78/474569378.db2.gz ADGUYLWTDMQZPJ-LBPRGKRZSA-N -1 3 337.420 2.849 20 30 EFEDHM COc1ccc(C[C@@](C)(O)C/N=C/c2ccccc2[O-])cc1OC ZINC000290421952 474570418 /nfs/dbraw/zinc/57/04/18/474570418.db2.gz AXUBTMPILIJSOE-FUNKKEAFSA-N -1 3 329.396 2.822 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c(Cl)c1Cl ZINC000290986639 474588565 /nfs/dbraw/zinc/58/85/65/474588565.db2.gz SLNHSUPIFQUUQI-ZDUSSCGKSA-N -1 3 349.239 2.973 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000271803508 474594600 /nfs/dbraw/zinc/59/46/00/474594600.db2.gz LQOKVYDCYMDSEH-XVKNQWORSA-N -1 3 348.349 2.815 20 30 EFEDHM CO[C@@H](c1ccccc1F)[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000271833794 474596005 /nfs/dbraw/zinc/59/60/05/474596005.db2.gz RIICFOHKDLJJLB-PPQRNQBWSA-N -1 3 332.375 2.922 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@H]1C1CC1 ZINC000291215591 474598128 /nfs/dbraw/zinc/59/81/28/474598128.db2.gz VVBUPHGUNRRSPY-QGZVFWFLSA-N -1 3 327.428 2.855 20 30 EFEDHM C=CC[C@H]1N(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCCC1(C)C ZINC000278184176 474602827 /nfs/dbraw/zinc/60/28/27/474602827.db2.gz RDOXPHVZULFOND-OAHLLOKOSA-N -1 3 326.396 2.777 20 30 EFEDHM CCc1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)ccc1[O-] ZINC000291441998 474603707 /nfs/dbraw/zinc/60/37/07/474603707.db2.gz KQWRFHDIKOYEJK-IBGZPJMESA-N -1 3 349.434 2.977 20 30 EFEDHM Cc1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)ccc1[O-] ZINC000272462483 474612705 /nfs/dbraw/zinc/61/27/05/474612705.db2.gz OSHQKEGWSDEAAC-GOSISDBHSA-N -1 3 335.407 2.551 20 30 EFEDHM N#CCCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000273027021 474678822 /nfs/dbraw/zinc/67/88/22/474678822.db2.gz ALQXRXKOZQVIBI-UHFFFAOYSA-N -1 3 337.626 2.685 20 30 EFEDHM COCCOc1cc(C)ccc1C/N=C/c1ccc(O)c([O-])c1O ZINC000267919223 474708088 /nfs/dbraw/zinc/70/80/88/474708088.db2.gz INOJNJYLOGLCIK-YBFXNURJSA-N -1 3 331.368 2.756 20 30 EFEDHM N#CCn1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc2ccccc21 ZINC000609168722 480122255 /nfs/dbraw/zinc/12/22/55/480122255.db2.gz CORUSGRZEDWRNI-UHFFFAOYSA-N -1 3 343.350 2.597 20 30 EFEDHM N#CCn1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc2ccccc21 ZINC000609168722 480122260 /nfs/dbraw/zinc/12/22/60/480122260.db2.gz CORUSGRZEDWRNI-UHFFFAOYSA-N -1 3 343.350 2.597 20 30 EFEDHM N#CCn1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc2ccccc21 ZINC000609166275 480122280 /nfs/dbraw/zinc/12/22/80/480122280.db2.gz PEWDYUJWRYAGEL-UHFFFAOYSA-N -1 3 334.261 2.554 20 30 EFEDHM N#CCn1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc2ccccc21 ZINC000609166275 480122283 /nfs/dbraw/zinc/12/22/83/480122283.db2.gz PEWDYUJWRYAGEL-UHFFFAOYSA-N -1 3 334.261 2.554 20 30 EFEDHM N#CCCN(C(=O)CCC(=O)[N-]OC/C=C/Cl)c1ccccc1 ZINC000291931756 474758192 /nfs/dbraw/zinc/75/81/92/474758192.db2.gz VFZBODXBOXZRSQ-ONNFQVAWSA-N -1 3 335.791 2.514 20 30 EFEDHM C=CCC(C)(C)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000291997029 474793224 /nfs/dbraw/zinc/79/32/24/474793224.db2.gz XGHYSNALKYEUCN-GOSISDBHSA-N -1 3 340.383 2.645 20 30 EFEDHM Cc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)ccn1 ZINC000278720611 474795422 /nfs/dbraw/zinc/79/54/22/474795422.db2.gz OTIZJUFWLVOPGA-UHFFFAOYSA-N -1 3 335.367 2.814 20 30 EFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000344958659 474821068 /nfs/dbraw/zinc/82/10/68/474821068.db2.gz BXUAAIHRLLDPBW-UHFFFAOYSA-N -1 3 325.390 2.512 20 30 EFEDHM O=C(CNCC(F)(F)F)[N-][C@H](c1ccc(F)cc1)C(F)(F)F ZINC000344988127 474821576 /nfs/dbraw/zinc/82/15/76/474821576.db2.gz GXJNAGBWWXDJQV-SNVBAGLBSA-N -1 3 332.219 2.697 20 30 EFEDHM N#Cc1cncc(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000311424026 474839153 /nfs/dbraw/zinc/83/91/53/474839153.db2.gz LIWYKDPDJRAJHJ-UHFFFAOYSA-N -1 3 338.186 2.517 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1cc2ccccc2s1 ZINC000339030309 474855773 /nfs/dbraw/zinc/85/57/73/474855773.db2.gz ZGMYIUNYWWJRGS-UHFFFAOYSA-N -1 3 343.433 2.689 20 30 EFEDHM CCN(CCC#N)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000339047269 474875834 /nfs/dbraw/zinc/87/58/34/474875834.db2.gz GJXANEDMAZWAOG-UHFFFAOYSA-N -1 3 325.372 2.925 20 30 EFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000315980927 474876092 /nfs/dbraw/zinc/87/60/92/474876092.db2.gz OHVLPNVFAIKUKH-UHFFFAOYSA-N -1 3 349.225 2.806 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-]Cc2c(F)cc(F)cc2F)CCCCC1 ZINC000339055585 474887282 /nfs/dbraw/zinc/88/72/82/474887282.db2.gz YSEJVDZNXMQOSS-UHFFFAOYSA-N -1 3 346.374 2.997 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c(Cl)c1 ZINC000317571116 474889058 /nfs/dbraw/zinc/88/90/58/474889058.db2.gz WGPGVQIWOVNGMW-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000318230498 474890737 /nfs/dbraw/zinc/89/07/37/474890737.db2.gz XHZSDFTZGOGVIC-UHFFFAOYSA-N -1 3 337.744 2.921 20 30 EFEDHM CC[C@](C)(C#N)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000285111891 474896105 /nfs/dbraw/zinc/89/61/05/474896105.db2.gz UWNKXNJAMOWIIW-GOSISDBHSA-N -1 3 329.400 2.509 20 30 EFEDHM CCOC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCC1 ZINC000320497283 474913784 /nfs/dbraw/zinc/91/37/84/474913784.db2.gz OMFFKXAUUHFZDM-UHFFFAOYSA-N -1 3 342.848 2.839 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C)cs1 ZINC000293306037 474917179 /nfs/dbraw/zinc/91/71/79/474917179.db2.gz INSLABVREKNIBL-ZDUSSCGKSA-N -1 3 339.417 2.892 20 30 EFEDHM CO[C@@]1(C)CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000279836251 474994869 /nfs/dbraw/zinc/99/48/69/474994869.db2.gz BILDYKUMLUWLEK-IBGZPJMESA-N -1 3 345.443 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WAJWFFVRVAPCAK-UHFFFAOYSA-N -1 3 330.837 2.694 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1F ZINC000431621096 477063635 /nfs/dbraw/zinc/06/36/35/477063635.db2.gz YAROBTONEQRSRM-AWEZNQCLSA-N -1 3 340.326 2.982 20 30 EFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccccc3[O-])C2)c(F)c1 ZINC000375925964 477087397 /nfs/dbraw/zinc/08/73/97/477087397.db2.gz BQVUXKWVLYFGPS-CYBMUJFWSA-N -1 3 325.343 2.868 20 30 EFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(F)cc2[n-]nnc21 ZINC000431788742 477095754 /nfs/dbraw/zinc/09/57/54/477095754.db2.gz MPYXXGLONQLVLL-UHFFFAOYSA-N -1 3 340.358 2.934 20 30 EFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000431788742 477095760 /nfs/dbraw/zinc/09/57/60/477095760.db2.gz MPYXXGLONQLVLL-UHFFFAOYSA-N -1 3 340.358 2.934 20 30 EFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000431788742 477095767 /nfs/dbraw/zinc/09/57/67/477095767.db2.gz MPYXXGLONQLVLL-UHFFFAOYSA-N -1 3 340.358 2.934 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC1(F)F ZINC000452832048 477099653 /nfs/dbraw/zinc/09/96/53/477099653.db2.gz DQLUHUDTSWAEPZ-GFCCVEGCSA-N -1 3 337.370 2.760 20 30 EFEDHM C=CCN(CC=C)[C@@H](CNC(=O)N=c1ccc(C2CC2)n[n-]1)C(C)C ZINC000448144591 477136520 /nfs/dbraw/zinc/13/65/20/477136520.db2.gz DZMZGFOOBPACCL-KRWDZBQOSA-N -1 3 343.475 2.596 20 30 EFEDHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000448399049 477172311 /nfs/dbraw/zinc/17/23/11/477172311.db2.gz ZSIIAIOKWFBLPL-UHFFFAOYSA-N -1 3 345.334 2.946 20 30 EFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000432268415 477186746 /nfs/dbraw/zinc/18/67/46/477186746.db2.gz DJFKYDYNFILWBE-UHFFFAOYSA-N -1 3 333.251 2.725 20 30 EFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000432297253 477190544 /nfs/dbraw/zinc/19/05/44/477190544.db2.gz IRHPWVDAXXUDIT-UHFFFAOYSA-N -1 3 342.852 2.572 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411351988 477201507 /nfs/dbraw/zinc/20/15/07/477201507.db2.gz LOGHGAIDTQPRDC-AWEZNQCLSA-N -1 3 326.400 2.672 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000411351989 477202305 /nfs/dbraw/zinc/20/23/05/477202305.db2.gz LOGHGAIDTQPRDC-CQSZACIVSA-N -1 3 326.400 2.672 20 30 EFEDHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000416531603 477203895 /nfs/dbraw/zinc/20/38/95/477203895.db2.gz FHZNDBZAMJMYOY-CYBMUJFWSA-N -1 3 347.415 2.782 20 30 EFEDHM CC(C)OCC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000416622304 477240733 /nfs/dbraw/zinc/24/07/33/477240733.db2.gz JMNIYVCHBHVPGW-UHFFFAOYSA-N -1 3 330.837 2.694 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCC1 ZINC000416670138 477257639 /nfs/dbraw/zinc/25/76/39/477257639.db2.gz KZRILXKDISSHEK-UHFFFAOYSA-N -1 3 347.209 2.560 20 30 EFEDHM CCOC[C@@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000458079727 477284893 /nfs/dbraw/zinc/28/48/93/477284893.db2.gz PZJIWSBAGBAPJC-HNNXBMFYSA-N -1 3 345.443 2.626 20 30 EFEDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000376327762 477285512 /nfs/dbraw/zinc/28/55/12/477285512.db2.gz MDIONMTZJICFEJ-PIGZYNQJSA-N -1 3 346.383 2.639 20 30 EFEDHM C[C@@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000376327759 477285976 /nfs/dbraw/zinc/28/59/76/477285976.db2.gz MDIONMTZJICFEJ-APPDUMDISA-N -1 3 346.383 2.639 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)s1 ZINC000367183360 477381216 /nfs/dbraw/zinc/38/12/16/477381216.db2.gz CEDSSHBQTBRVSI-CYBMUJFWSA-N -1 3 334.422 2.812 20 30 EFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C)c1 ZINC000416955343 477385071 /nfs/dbraw/zinc/38/50/71/477385071.db2.gz MGYAKRPFTBMJAI-LLVKDONJSA-N -1 3 336.335 2.980 20 30 EFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000416961086 477388991 /nfs/dbraw/zinc/38/89/91/477388991.db2.gz RMKPHFNQVCYPKN-SZNDQCEHSA-N -1 3 342.486 2.778 20 30 EFEDHM CO[C@@](C)([C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1 ZINC000412622494 477451330 /nfs/dbraw/zinc/45/13/30/477451330.db2.gz WSWFVRAXGPRBID-YJYMSZOUSA-N -1 3 345.443 2.528 20 30 EFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Br)cc2c1OCC2 ZINC000417621842 477460182 /nfs/dbraw/zinc/46/01/82/477460182.db2.gz GLFDVZMRNDYVAR-ZDUSSCGKSA-N -1 3 340.217 2.893 20 30 EFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc(Br)ccc1OC ZINC000417628199 477460157 /nfs/dbraw/zinc/46/01/57/477460157.db2.gz QPQRVUQQUPCPHP-GFCCVEGCSA-N -1 3 328.206 2.967 20 30 EFEDHM COC[C@@](C)(C#N)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436587505 477525075 /nfs/dbraw/zinc/52/50/75/477525075.db2.gz WSKOZRFDFABUCH-GOSISDBHSA-N -1 3 326.352 2.843 20 30 EFEDHM C=CCC[C@@H]1NC(=O)N(Cc2ccc([O-])c(Br)c2)C1=O ZINC000419936006 477591543 /nfs/dbraw/zinc/59/15/43/477591543.db2.gz KGMZJSLZJPFFJP-NSHDSACASA-N -1 3 339.189 2.541 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000425189590 477664404 /nfs/dbraw/zinc/66/44/04/477664404.db2.gz NTQAIIXAYJDGON-WCBMZHEXSA-N -1 3 336.310 2.815 20 30 EFEDHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc(C(N)=O)o1 ZINC000437229623 477686329 /nfs/dbraw/zinc/68/63/29/477686329.db2.gz UZYXRSNHUSSHOR-SNVBAGLBSA-N -1 3 329.381 2.883 20 30 EFEDHM N#CCc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c(Cl)c1 ZINC000451071403 477809580 /nfs/dbraw/zinc/80/95/80/477809580.db2.gz SEQCTZJVWYMKEY-GFCCVEGCSA-N -1 3 328.821 2.717 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)cc1F ZINC000428263296 477855312 /nfs/dbraw/zinc/85/53/12/477855312.db2.gz BTJKRIZTIOTIAD-CYBMUJFWSA-N -1 3 337.351 2.661 20 30 EFEDHM COC(=O)Nc1ccc(C(=O)OCC#Cc2ccc(F)cc2)cc1[O-] ZINC000493874604 477868451 /nfs/dbraw/zinc/86/84/51/477868451.db2.gz SUIGKRUZRGLDDT-UHFFFAOYSA-N -1 3 343.310 2.918 20 30 EFEDHM COCc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C#N ZINC000530121424 477877088 /nfs/dbraw/zinc/87/70/88/477877088.db2.gz WBWDHTNIZQOKKG-UHFFFAOYSA-N -1 3 338.289 2.831 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(c2cccc(Cl)c2)CC1 ZINC000428379926 477879375 /nfs/dbraw/zinc/87/93/75/477879375.db2.gz XJOVFSCYCFAPSG-UHFFFAOYSA-N -1 3 347.827 2.617 20 30 EFEDHM Cc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)n(CCC#N)n1 ZINC000530326054 477881728 /nfs/dbraw/zinc/88/17/28/477881728.db2.gz BDIVWWASILVPHY-UHFFFAOYSA-N -1 3 330.363 2.911 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000530378511 477882327 /nfs/dbraw/zinc/88/23/27/477882327.db2.gz UHWMXHRSAJGXTI-LLVKDONJSA-N -1 3 329.393 2.635 20 30 EFEDHM Cc1cc([C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C2CC2)ccc1F ZINC000428393781 477885425 /nfs/dbraw/zinc/88/54/25/477885425.db2.gz ZYWBBRMUFZERDS-KRWDZBQOSA-N -1 3 345.399 2.830 20 30 EFEDHM C=C(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)c(F)c1 ZINC000428410468 477887160 /nfs/dbraw/zinc/88/71/60/477887160.db2.gz FFFFLYQWPBGSSS-MRXNPFEDSA-N -1 3 349.362 2.827 20 30 EFEDHM N#CC(=C([O-])c1ccc(=O)n(-c2cccc(F)c2)c1)c1ccccn1 ZINC000531200451 477899605 /nfs/dbraw/zinc/89/96/05/477899605.db2.gz NOUBUAFMMMIJGZ-INIZCTEOSA-N -1 3 333.322 2.862 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459460717 477915396 /nfs/dbraw/zinc/91/53/96/477915396.db2.gz JGDNLQUJGCRDSO-UHFFFAOYSA-N -1 3 329.400 2.723 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1cncs1 ZINC000439207852 477944775 /nfs/dbraw/zinc/94/47/75/477944775.db2.gz JDTXIISYYZXMRO-QMMMGPOBSA-N -1 3 327.818 2.708 20 30 EFEDHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000421148683 477982640 /nfs/dbraw/zinc/98/26/40/477982640.db2.gz HBDLUGNXYRJTNT-KRWDZBQOSA-N -1 3 344.436 2.866 20 30 EFEDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)o1 ZINC000532761829 477986103 /nfs/dbraw/zinc/98/61/03/477986103.db2.gz XYLFQVTVHCUPTH-YGRLFVJLSA-N -1 3 334.372 2.892 20 30 EFEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccccc1CC#N ZINC000421164451 477991356 /nfs/dbraw/zinc/99/13/56/477991356.db2.gz KOKWDIQTCMCGCS-QGZVFWFLSA-N -1 3 344.436 2.752 20 30 EFEDHM CC1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000559636948 477994821 /nfs/dbraw/zinc/99/48/21/477994821.db2.gz KQXHNQAGNSMCEJ-UHFFFAOYSA-N -1 3 329.219 2.542 20 30 EFEDHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(C#Cc2ccccn2)c1)OC ZINC000421231427 478014197 /nfs/dbraw/zinc/01/41/97/478014197.db2.gz WWWNQFCEBBTSGU-SFHVURJKSA-N -1 3 344.436 2.648 20 30 EFEDHM C=CCc1cc(C(=O)N=c2cc3ccccn3[n-]2)cc(OC)c1OC ZINC000517048802 478045150 /nfs/dbraw/zinc/04/51/50/478045150.db2.gz WQBLTAHITNSNKJ-UHFFFAOYSA-N -1 3 337.379 2.754 20 30 EFEDHM COc1cc(OC)cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429574891 478156804 /nfs/dbraw/zinc/15/68/04/478156804.db2.gz SICFDAJWEAEMSS-AWEZNQCLSA-N -1 3 336.351 2.774 20 30 EFEDHM COc1cc(OC)cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000429574892 478157116 /nfs/dbraw/zinc/15/71/16/478157116.db2.gz SICFDAJWEAEMSS-CQSZACIVSA-N -1 3 336.351 2.774 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(-n4cccn4)c3)nc1-2 ZINC000429581578 478160403 /nfs/dbraw/zinc/16/04/03/478160403.db2.gz ZZTVSDLJJXGUIH-OAHLLOKOSA-N -1 3 342.362 2.942 20 30 EFEDHM C=C(C)CC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000451806099 478209923 /nfs/dbraw/zinc/20/99/23/478209923.db2.gz ZGSAYVIQLVOZPF-UHFFFAOYSA-N -1 3 327.299 2.969 20 30 EFEDHM N#Cc1ccc(C2=CCN(C(=O)N=c3cc4ccccn4[n-]3)CC2)cc1 ZINC000562296690 478229227 /nfs/dbraw/zinc/22/92/27/478229227.db2.gz QNEQFCWKPCHNJE-UHFFFAOYSA-N -1 3 343.390 2.949 20 30 EFEDHM C=CCCCS(=O)(=O)[N-][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000489535406 478254742 /nfs/dbraw/zinc/25/47/42/478254742.db2.gz WCPZKRJFFIPTNV-CYBMUJFWSA-N -1 3 335.429 2.607 20 30 EFEDHM CC(C)(C)OC(=O)N1CCC(COC(=O)c2ccc(C#N)[n-]2)CC1 ZINC000495646626 478254936 /nfs/dbraw/zinc/25/49/36/478254936.db2.gz IWOACGZUPFWFRN-UHFFFAOYSA-N -1 3 333.388 2.690 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000594372503 478347830 /nfs/dbraw/zinc/34/78/30/478347830.db2.gz GTZVXSPIPVRVOF-OAHLLOKOSA-N -1 3 334.379 2.739 20 30 EFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NN[C@@H]2CCSC2)s1 ZINC000495839522 478356606 /nfs/dbraw/zinc/35/66/06/478356606.db2.gz HBOHIWQRWUYKPL-SECBINFHSA-N -1 3 328.463 2.919 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(N4CCCC4)nn3)nc21 ZINC000522901420 478384756 /nfs/dbraw/zinc/38/47/56/478384756.db2.gz LXKHNCUZRVCRAB-CYBMUJFWSA-N -1 3 346.394 2.752 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc2[n-]nnc21 ZINC000527107182 478413982 /nfs/dbraw/zinc/41/39/82/478413982.db2.gz DWCPHLHMKZVYRA-WBVHZDCISA-N -1 3 331.379 2.870 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc2nn[n-]c21 ZINC000527107182 478413988 /nfs/dbraw/zinc/41/39/88/478413988.db2.gz DWCPHLHMKZVYRA-WBVHZDCISA-N -1 3 331.379 2.870 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc2n[n-]nc21 ZINC000527107182 478413994 /nfs/dbraw/zinc/41/39/94/478413994.db2.gz DWCPHLHMKZVYRA-WBVHZDCISA-N -1 3 331.379 2.870 20 30 EFEDHM C#CCNC(=O)c1cccc(-c2noc(-c3cccc(C)c3[O-])n2)c1 ZINC000491014110 478425632 /nfs/dbraw/zinc/42/56/32/478425632.db2.gz OFJCFJGVXSTHOB-UHFFFAOYSA-N -1 3 333.347 2.781 20 30 EFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NN[C@@H]2CCOC2(C)C)s1 ZINC000495967870 478445794 /nfs/dbraw/zinc/44/57/94/478445794.db2.gz GRZGPEHHLKWGGK-LLVKDONJSA-N -1 3 340.449 2.981 20 30 EFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000594578512 478446647 /nfs/dbraw/zinc/44/66/47/478446647.db2.gz HZXWPSMBYFLOSG-UHFFFAOYSA-N -1 3 328.409 2.975 20 30 EFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)CCc1c(F)cccc1F ZINC000600669102 478459966 /nfs/dbraw/zinc/45/99/66/478459966.db2.gz ZGXJKEGYRJZMQQ-HNNXBMFYSA-N -1 3 330.400 2.755 20 30 EFEDHM CO[C@H](CS(=O)(=O)[N-]c1ccc(F)c(C#N)c1)C1CCCC1 ZINC000594696130 478501936 /nfs/dbraw/zinc/50/19/36/478501936.db2.gz VVPVDEZUUWVXJM-OAHLLOKOSA-N -1 3 326.393 2.644 20 30 EFEDHM C#C[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1 ZINC000491316495 478509371 /nfs/dbraw/zinc/50/93/71/478509371.db2.gz VTPXSVQQLYQNMC-INIZCTEOSA-N -1 3 343.814 2.876 20 30 EFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594723357 478514890 /nfs/dbraw/zinc/51/48/90/478514890.db2.gz MYHSHSPDDJSEOF-LBPRGKRZSA-N -1 3 349.225 2.556 20 30 EFEDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000591324081 478523229 /nfs/dbraw/zinc/52/32/29/478523229.db2.gz DWGOKFOCVLQZGH-SECBINFHSA-N -1 3 331.235 2.788 20 30 EFEDHM C#C[C@H](C)N(C)C(=O)/C=C\c1cc(Br)c([O-])c(OC)c1 ZINC000491375590 478528399 /nfs/dbraw/zinc/52/83/99/478528399.db2.gz WRMPYSPFOWAZHT-GFVADAIESA-N -1 3 338.201 2.657 20 30 EFEDHM C=CCOc1ccc(C=CC(=O)Nc2nnc(SC)[n-]2)cc1OC ZINC000491386638 478531932 /nfs/dbraw/zinc/53/19/32/478531932.db2.gz PNIWWXZBCFMHHV-VURMDHGXSA-N -1 3 346.412 2.752 20 30 EFEDHM C=CCOc1ccc(C=CC(=O)Nc2nc(SC)n[n-]2)cc1OC ZINC000491386638 478531938 /nfs/dbraw/zinc/53/19/38/478531938.db2.gz PNIWWXZBCFMHHV-VURMDHGXSA-N -1 3 346.412 2.752 20 30 EFEDHM C=CCOc1ccc(C=CC(=O)Nc2n[n-]c(SC)n2)cc1OC ZINC000491386638 478531943 /nfs/dbraw/zinc/53/19/43/478531943.db2.gz PNIWWXZBCFMHHV-VURMDHGXSA-N -1 3 346.412 2.752 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)C[C@H](C)O ZINC000594770640 478537487 /nfs/dbraw/zinc/53/74/87/478537487.db2.gz BPTNKYWQOKTPJX-ZJUUUORDSA-N -1 3 338.454 2.519 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@H](C)O ZINC000594779393 478538603 /nfs/dbraw/zinc/53/86/03/478538603.db2.gz RXBKGVCMPMTTAO-GWCFXTLKSA-N -1 3 338.454 2.519 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2cc(F)ccc2C(=O)OC)CCCC1 ZINC000594865937 478566088 /nfs/dbraw/zinc/56/60/88/478566088.db2.gz YEGFFULKEYOITC-UHFFFAOYSA-N -1 3 341.404 2.780 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)CCCC1 ZINC000594868264 478567134 /nfs/dbraw/zinc/56/71/34/478567134.db2.gz AIUKQDKHZBQDIH-UHFFFAOYSA-N -1 3 341.404 2.780 20 30 EFEDHM COC(=O)N(C)Cc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000491508828 478570483 /nfs/dbraw/zinc/57/04/83/478570483.db2.gz FHFUCZZXZJSXBR-UHFFFAOYSA-N -1 3 343.383 2.537 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000491507403 478570625 /nfs/dbraw/zinc/57/06/25/478570625.db2.gz VCMMTPLEFOGXGN-JTQLQIEISA-N -1 3 346.811 2.518 20 30 EFEDHM Cc1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)c([O-])c1 ZINC000597936060 478585559 /nfs/dbraw/zinc/58/55/59/478585559.db2.gz JCNRPENXLWYLKC-UHFFFAOYSA-N -1 3 327.409 2.596 20 30 EFEDHM COC(=O)Nc1ccc(C(=O)OCC#Cc2ccccc2)cc1[O-] ZINC000496365142 478650970 /nfs/dbraw/zinc/65/09/70/478650970.db2.gz RNMGYGPREYZEGY-UHFFFAOYSA-N -1 3 325.320 2.779 20 30 EFEDHM C#C[C@@H](CC)NC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000491750793 478661563 /nfs/dbraw/zinc/66/15/63/478661563.db2.gz JAMGQMGGXJHJRR-MLRMMBSGSA-N -1 3 338.201 2.705 20 30 EFEDHM COC(=O)Nc1ccc(C(=O)OCc2ccc(C#N)c(F)c2)cc1[O-] ZINC000496673199 478681889 /nfs/dbraw/zinc/68/18/89/478681889.db2.gz NYPKBNLWSIUPJR-UHFFFAOYSA-N -1 3 344.298 2.938 20 30 EFEDHM N#Cc1cnc2c(Cl)cccc2c1NCCCc1c[n-][nH]c1=O ZINC000601195172 478716998 /nfs/dbraw/zinc/71/69/98/478716998.db2.gz GHRYJLCPWNDQAK-JTQLQIEISA-N -1 3 327.775 2.684 20 30 EFEDHM CCSC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000595348187 478741504 /nfs/dbraw/zinc/74/15/04/478741504.db2.gz CNKTVTDUZAAUGF-UHFFFAOYSA-N -1 3 330.862 2.776 20 30 EFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CCCC1 ZINC000595364941 478748337 /nfs/dbraw/zinc/74/83/37/478748337.db2.gz KJXHABZYOGJQRR-CQSZACIVSA-N -1 3 342.848 2.695 20 30 EFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592021583 478748305 /nfs/dbraw/zinc/74/83/05/478748305.db2.gz IERNBSPWFKWFHI-ZETCQYMHSA-N -1 3 342.726 2.819 20 30 EFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592039445 478752797 /nfs/dbraw/zinc/75/27/97/478752797.db2.gz XQSCNFDUAZIXLK-SSDOTTSWSA-N -1 3 342.726 2.677 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000583192753 478786569 /nfs/dbraw/zinc/78/65/69/478786569.db2.gz BCVNMMWUMQSMTP-JTQLQIEISA-N -1 3 330.331 2.655 20 30 EFEDHM N#CCC1(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)CC1 ZINC000601408491 478823033 /nfs/dbraw/zinc/82/30/33/478823033.db2.gz RLIBVQLZOCMMSX-UHFFFAOYSA-N -1 3 333.438 2.782 20 30 EFEDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1 ZINC000601443597 478836301 /nfs/dbraw/zinc/83/63/01/478836301.db2.gz SYLLZGCHWYVANJ-SECBINFHSA-N -1 3 339.417 2.756 20 30 EFEDHM COC(=O)c1cccc2nc(NC(=O)C=Cc3ccc(C#N)cc3)[n-]c21 ZINC000492264320 478899825 /nfs/dbraw/zinc/89/98/25/478899825.db2.gz WFHJNJZBAGCTQE-KTKRTIGZSA-N -1 3 346.346 2.873 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3ccc(C#N)cc3)nc21 ZINC000492264320 478899830 /nfs/dbraw/zinc/89/98/30/478899830.db2.gz WFHJNJZBAGCTQE-KTKRTIGZSA-N -1 3 346.346 2.873 20 30 EFEDHM N#Cc1ccccc1N1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC000507115754 478902857 /nfs/dbraw/zinc/90/28/57/478902857.db2.gz LFEJKSVLRVGFQF-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM Cc1nc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)sc1SCC#N ZINC000572732398 478908663 /nfs/dbraw/zinc/90/86/63/478908663.db2.gz BNAPOTZVLFVRGQ-UHFFFAOYSA-N -1 3 347.425 2.693 20 30 EFEDHM CC(C)(C#N)CCS(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000572922420 478950395 /nfs/dbraw/zinc/95/03/95/478950395.db2.gz MTXJWCNSYINSIK-LBPRGKRZSA-N -1 3 328.821 2.633 20 30 EFEDHM C=CCn1c(SC[C@H]2CCCN(C(=O)C(C)(C)C)C2)n[n-]c1=O ZINC000565283924 478969338 /nfs/dbraw/zinc/96/93/38/478969338.db2.gz KWNXYQFTWLGUHU-LBPRGKRZSA-N -1 3 338.477 2.547 20 30 EFEDHM N#C[C@]1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CC12CCCC2 ZINC000592645896 478980346 /nfs/dbraw/zinc/98/03/46/478980346.db2.gz FIOGIXBLDFRDFG-ZDUSSCGKSA-N -1 3 346.740 2.933 20 30 EFEDHM C=CCOc1ccc(/C=C\C(=O)[N-]OCC(F)(F)F)cc1OC ZINC000493039747 479031853 /nfs/dbraw/zinc/03/18/53/479031853.db2.gz NOATZWCNYOFCSO-ALCCZGGFSA-N -1 3 331.290 2.883 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000565580369 479038306 /nfs/dbraw/zinc/03/83/06/479038306.db2.gz HBQKJYFHNFWGFK-MNOVXSKESA-N -1 3 336.240 2.924 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc2c(s1)CCC2 ZINC000514661796 479043053 /nfs/dbraw/zinc/04/30/53/479043053.db2.gz WMQFFTOTTYTEQT-MRVPVSSYSA-N -1 3 339.467 2.604 20 30 EFEDHM CC1([N-]S(=O)(=O)c2cc(Br)ccc2C#N)CCC1 ZINC000514876032 479082516 /nfs/dbraw/zinc/08/25/16/479082516.db2.gz DHLGSBXIAUCMRZ-UHFFFAOYSA-N -1 3 329.219 2.542 20 30 EFEDHM Cc1nc2cc(C([O-])=C(C#N)c3nnc4n3CCCCC4)ccc2o1 ZINC000566044521 479083674 /nfs/dbraw/zinc/08/36/74/479083674.db2.gz PXOKAIQUBWAOCM-ZDUSSCGKSA-N -1 3 335.367 2.944 20 30 EFEDHM N#Cc1ccc(N2[N-]C(=O)CC3(CCCC3)C2=O)c(C(F)(F)F)c1 ZINC000601951099 479090796 /nfs/dbraw/zinc/09/07/96/479090796.db2.gz ZFJCWIWZARLHET-UHFFFAOYSA-N -1 3 337.301 2.905 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000566542711 479093415 /nfs/dbraw/zinc/09/34/15/479093415.db2.gz QLHGKYUJFITGLO-CVEARBPZSA-N -1 3 339.395 2.941 20 30 EFEDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000568915954 479133136 /nfs/dbraw/zinc/13/31/36/479133136.db2.gz WJGNVXKTFKWJDC-NHYWBVRUSA-N -1 3 338.404 2.651 20 30 EFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000552040588 479150437 /nfs/dbraw/zinc/15/04/37/479150437.db2.gz KNCJOUGDGUUFFT-LBPRGKRZSA-N -1 3 336.841 2.544 20 30 EFEDHM CCN=c1[n-]c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1 ZINC000610882650 479221715 /nfs/dbraw/zinc/22/17/15/479221715.db2.gz UJJAIDJHWPOKSW-GOEBONIOSA-N -1 3 340.452 2.909 20 30 EFEDHM CCc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cnn1CC(C)C ZINC000593211554 479242648 /nfs/dbraw/zinc/24/26/48/479242648.db2.gz UPUCUBMQFJPMLM-UHFFFAOYSA-N -1 3 326.466 2.783 20 30 EFEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C4CC4)nn3)sc2C1 ZINC000602227876 479246530 /nfs/dbraw/zinc/24/65/30/479246530.db2.gz HKTUWURZOWRKJX-SECBINFHSA-N -1 3 327.413 2.923 20 30 EFEDHM CC[C@@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@H](CC)CO1 ZINC000593256490 479262898 /nfs/dbraw/zinc/26/28/98/479262898.db2.gz JLULSEDESWCZAV-HUUCEWRRSA-N -1 3 345.443 2.624 20 30 EFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CCC(C)(C)C#N)CCCC1 ZINC000557524635 479285992 /nfs/dbraw/zinc/28/59/92/479285992.db2.gz CXORCVZQXWKSQX-UHFFFAOYSA-N -1 3 344.477 2.500 20 30 EFEDHM CCCn1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)nn1 ZINC000611225914 479315565 /nfs/dbraw/zinc/31/55/65/479315565.db2.gz MWCNGXVBAJXDMP-SNVBAGLBSA-N -1 3 329.429 2.998 20 30 EFEDHM CC(C)c1ccc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c([O-])c1 ZINC000611280094 479335161 /nfs/dbraw/zinc/33/51/61/479335161.db2.gz NYXCZXVGMVTCTM-QGZVFWFLSA-N -1 3 329.444 2.822 20 30 EFEDHM CCC1(O)CCC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000611314165 479347460 /nfs/dbraw/zinc/34/74/60/479347460.db2.gz SEKUAXVEVFVSGU-UHFFFAOYSA-N -1 3 342.848 2.574 20 30 EFEDHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000603415512 479379592 /nfs/dbraw/zinc/37/95/92/479379592.db2.gz FSJBNFQBPMNOAW-UONOGXRCSA-N -1 3 328.821 2.911 20 30 EFEDHM C=CCCO[C@H](C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588095179 479392760 /nfs/dbraw/zinc/39/27/60/479392760.db2.gz IGEZGWYXRUPXBB-SECBINFHSA-N -1 3 327.764 2.752 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588095180 479392942 /nfs/dbraw/zinc/39/29/42/479392942.db2.gz IGEZGWYXRUPXBB-VIFPVBQESA-N -1 3 327.764 2.752 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CC1 ZINC000588112098 479396856 /nfs/dbraw/zinc/39/68/56/479396856.db2.gz TXXZVGDTZUJWMH-SECBINFHSA-N -1 3 343.246 2.645 20 30 EFEDHM CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000593627514 479408216 /nfs/dbraw/zinc/40/82/16/479408216.db2.gz FZXULSIKGZLVIV-CMPLNLGQSA-N -1 3 337.401 2.569 20 30 EFEDHM CCN=c1[n-]c(C(=O)Nc2cc(C#N)ccc2OC(C)C)cs1 ZINC000596900361 479477920 /nfs/dbraw/zinc/47/79/20/479477920.db2.gz MXZKGTGNYCFTOG-UHFFFAOYSA-N -1 3 330.413 2.908 20 30 EFEDHM C=CCN(CC=C)[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)C(C)C ZINC000589168428 479490433 /nfs/dbraw/zinc/49/04/33/479490433.db2.gz IFMQRLQBCGBFTG-GOSISDBHSA-N -1 3 327.428 2.692 20 30 EFEDHM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)N1CCc2sccc2C1 ZINC000589168515 479491485 /nfs/dbraw/zinc/49/14/85/479491485.db2.gz WBCFZEVYLUPDKK-GFCCVEGCSA-N -1 3 341.436 2.502 20 30 EFEDHM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000589196567 479496584 /nfs/dbraw/zinc/49/65/84/479496584.db2.gz NUDNOVVLXZBPEZ-HOTGVXAUSA-N -1 3 349.434 2.999 20 30 EFEDHM CC(C)CN(Cc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(C#N)cc1 ZINC000604494884 479527467 /nfs/dbraw/zinc/52/74/67/479527467.db2.gz ZFJCKAXZOKYOCU-UHFFFAOYSA-N -1 3 336.399 2.603 20 30 EFEDHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618717056 479563425 /nfs/dbraw/zinc/56/34/25/479563425.db2.gz UYABKISOVJLYFM-ZDUSSCGKSA-N -1 3 333.438 2.543 20 30 EFEDHM C=CCN(Cc1ccc(OC)cc1)CC1(O)CCC(C(=O)[O-])CC1 ZINC000576590291 479582014 /nfs/dbraw/zinc/58/20/14/479582014.db2.gz YCJDYCVFSDTCQF-UHFFFAOYSA-N -1 3 333.428 2.689 20 30 EFEDHM CC1([N-]S(=O)(=O)c2ccc(C#N)cc2F)CCC(F)(F)CC1 ZINC000612138322 479595050 /nfs/dbraw/zinc/59/50/50/479595050.db2.gz QBCDGLSLDCQKBW-UHFFFAOYSA-N -1 3 332.347 2.944 20 30 EFEDHM N#Cc1ccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1[O-] ZINC000615429161 479673212 /nfs/dbraw/zinc/67/32/12/479673212.db2.gz RPFFFAKEHDJWMM-UHFFFAOYSA-N -1 3 326.743 2.724 20 30 EFEDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000615428918 479673327 /nfs/dbraw/zinc/67/33/27/479673327.db2.gz FUNSMOICVBGOIV-GOSISDBHSA-N -1 3 335.407 2.610 20 30 EFEDHM Cc1cc(F)c(C(F)(F)F)cc1NC(=O)C(=O)[N-]CC(F)(F)F ZINC000633184219 479704557 /nfs/dbraw/zinc/70/45/57/479704557.db2.gz 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ZINC000610011832 480228004 /nfs/dbraw/zinc/22/80/04/480228004.db2.gz URGWXDRKXNHGRI-KRWDZBQOSA-N -1 3 339.370 2.688 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c(F)c1 ZINC000610080676 480234988 /nfs/dbraw/zinc/23/49/88/480234988.db2.gz GUWXYTLLEOUCDD-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)c(F)c1 ZINC000610089540 480236513 /nfs/dbraw/zinc/23/65/13/480236513.db2.gz UKNOXGCLNCDIOL-CYBMUJFWSA-N -1 3 334.397 2.823 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000614293436 480256251 /nfs/dbraw/zinc/25/62/51/480256251.db2.gz QDYITGAPEDXMBJ-QGZVFWFLSA-N -1 3 339.395 2.814 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Cc1cccs1 ZINC000610266129 480265764 /nfs/dbraw/zinc/26/57/64/480265764.db2.gz ZXIZKULNIPBWFZ-NSHDSACASA-N -1 3 338.429 2.916 20 30 EFEDHM C=CCOc1cccc([N-]S(=O)(=O)[C@@H]2CCCC[C@@H]2OC)c1 ZINC000632182947 480435711 /nfs/dbraw/zinc/43/57/11/480435711.db2.gz DDLNRHXACIOGNG-JKSUJKDBSA-N -1 3 325.430 2.951 20 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/nfs/dbraw/zinc/35/30/13/534353013.db2.gz ZZXLVZLIMCIZOA-QMTHXVAHSA-N -1 3 333.812 2.739 20 30 EFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)sc1C ZINC000173228638 534389366 /nfs/dbraw/zinc/38/93/66/534389366.db2.gz BNHNXNKOBBHNTH-UHFFFAOYSA-N -1 3 341.845 2.764 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)CCC1 ZINC000191686097 534595264 /nfs/dbraw/zinc/59/52/64/534595264.db2.gz NZJOQRJHQWLUPR-UHFFFAOYSA-N -1 3 326.393 2.882 20 30 EFEDHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000360526924 534597962 /nfs/dbraw/zinc/59/79/62/534597962.db2.gz HIQMYYDAMGOCHB-LBPRGKRZSA-N -1 3 344.864 2.677 20 30 EFEDHM CCc1cc(=O)[n-]c(CN2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000119963444 523832639 /nfs/dbraw/zinc/83/26/39/523832639.db2.gz SEDRQGPTBJFRMX-UHFFFAOYSA-N -1 3 338.411 2.660 20 30 EFEDHM Cc1cccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1[O-] ZINC000078359726 524173915 /nfs/dbraw/zinc/17/39/15/524173915.db2.gz QFCFSNGDJBFFJV-UHFFFAOYSA-N -1 3 335.407 2.925 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(CN3CCCC3=O)cc2)nc(C)n1 ZINC000049405189 525502415 /nfs/dbraw/zinc/50/24/15/525502415.db2.gz AROKNDZMADXKTC-KRWDZBQOSA-N -1 3 348.406 2.706 20 30 EFEDHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)Cc1ccc(C#N)cc1)c2=O ZINC000076875296 525597322 /nfs/dbraw/zinc/59/73/22/525597322.db2.gz OIEIDKJVVBDUQX-UHFFFAOYSA-N -1 3 347.374 2.681 20 30 EFEDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000228922686 526258625 /nfs/dbraw/zinc/25/86/25/526258625.db2.gz ULIWBVLVZQEOJE-SSDOTTSWSA-N -1 3 326.727 2.831 20 30 EFEDHM C=C(Br)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000178496638 526425740 /nfs/dbraw/zinc/42/57/40/526425740.db2.gz LSORZDGSKWLSHS-UHFFFAOYSA-N -1 3 339.233 2.951 20 30 EFEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000171537814 526452459 /nfs/dbraw/zinc/45/24/59/526452459.db2.gz NHMBFSOBXMHEAF-UHFFFAOYSA-N -1 3 348.390 2.634 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21 ZINC000157395555 526563097 /nfs/dbraw/zinc/56/30/97/526563097.db2.gz YAMNJYCXTBCMAH-GFCCVEGCSA-N -1 3 346.383 2.542 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(Cl)c1 ZINC000180157459 526683658 /nfs/dbraw/zinc/68/36/58/526683658.db2.gz OXUDDLRJJYEIAY-XOKHGSTOSA-N -1 3 344.823 2.828 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1nc(-c2cccc(Cl)c2)no1 ZINC000163535823 527284747 /nfs/dbraw/zinc/28/47/47/527284747.db2.gz ZOYUWYMDLAFQOQ-UHFFFAOYSA-N -1 3 349.803 2.753 20 30 EFEDHM C=CCCOCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000163389606 527368131 /nfs/dbraw/zinc/36/81/31/527368131.db2.gz IQUFBQUXLHUDSS-UHFFFAOYSA-N -1 3 341.326 2.716 20 30 EFEDHM CC(C)=CCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000344778154 535356654 /nfs/dbraw/zinc/35/66/54/535356654.db2.gz WHHXCODHEQVJOH-UHFFFAOYSA-N -1 3 343.246 2.955 20 30 EFEDHM CCN(CC[N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(C)c1 ZINC000435419951 535740287 /nfs/dbraw/zinc/74/02/87/535740287.db2.gz AUIFMHROGZMODW-UHFFFAOYSA-N -1 3 349.481 2.733 20 30 EFEDHM COC1(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)CCCCC1 ZINC000356248928 536682042 /nfs/dbraw/zinc/68/20/42/536682042.db2.gz FUYDWJIWRNNLHC-UHFFFAOYSA-N -1 3 328.478 2.729 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1Br ZINC000354467148 536782041 /nfs/dbraw/zinc/78/20/41/536782041.db2.gz NVASHFFPNMKWHZ-JTQLQIEISA-N -1 3 332.157 2.738 20 30 EFEDHM COCC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000356584708 536805355 /nfs/dbraw/zinc/80/53/55/536805355.db2.gz XAJKJLNUZVDLAV-CQSZACIVSA-N -1 3 340.445 2.751 20 30 EFEDHM C[C@]1(c2cccc(C(=O)N[C@@H]3CCC[C@@H]3C#N)c2)NC(=O)[N-]C1=O ZINC000330215837 545848405 /nfs/dbraw/zinc/84/84/05/545848405.db2.gz HJCROFYUEPXOGI-CJBNDPTMSA-N -1 3 326.356 2.783 20 30 EFEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@H](C#N)C3CCCCC3)cn21 ZINC000333214546 545870823 /nfs/dbraw/zinc/87/08/23/545870823.db2.gz VDLSIRPDSRQLSQ-TZMCWYRMSA-N -1 3 336.461 2.531 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(F)cc2Cl)CCOCC1 ZINC000657128504 547039782 /nfs/dbraw/zinc/03/97/82/547039782.db2.gz YNPAMMCWXQPJTR-UHFFFAOYSA-N -1 3 333.812 2.883 20 30 EFEDHM Cc1[nH]nc(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)c1C#N ZINC000673131296 547862436 /nfs/dbraw/zinc/86/24/36/547862436.db2.gz IOXKECNRFVUUFV-UHFFFAOYSA-N -1 3 346.346 2.779 20 30 EFEDHM CC(C)(C#N)CS(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000753874343 575353906 /nfs/dbraw/zinc/35/39/06/575353906.db2.gz GFRPKNJQUGELFK-CABCVRRESA-N -1 3 340.420 2.515 20 30 EFEDHM CCOc1nc2sccn2c1C=N[N-]c1ncccc1[N+](=O)[O-] ZINC000753933186 575361642 /nfs/dbraw/zinc/36/16/42/575361642.db2.gz UVJGHFIJCVDICF-UHFFFAOYSA-N -1 3 332.345 2.544 20 30 EFEDHM CCOc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc(Cl)c1[O-] ZINC000753937643 575362818 /nfs/dbraw/zinc/36/28/18/575362818.db2.gz FESFCKRQYYPXIG-CHWSQXEVSA-N -1 3 336.823 2.638 20 30 EFEDHM COc1cc(C(=O)OCCOc2ccccc2C#N)cc(OC)c1[O-] ZINC000754267081 575412797 /nfs/dbraw/zinc/41/27/97/575412797.db2.gz IWICDGSLGULISJ-UHFFFAOYSA-N -1 3 343.335 2.517 20 30 EFEDHM C=CC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccncc1 ZINC000755173865 575556395 /nfs/dbraw/zinc/55/63/95/575556395.db2.gz NHCQQNGGBZEEQZ-MRXNPFEDSA-N -1 3 325.368 2.793 20 30 EFEDHM Cc1cc(C)nc(N=NCc2cc(O)cc(Br)c2[O-])n1 ZINC000755453902 575587963 /nfs/dbraw/zinc/58/79/63/575587963.db2.gz CXTSJQLZSBOADN-UHFFFAOYSA-N -1 3 337.177 2.713 20 30 EFEDHM COc1ccc(NC(=S)NN=Cc2cc(F)ccc2[O-])cc1F ZINC000755689940 575618963 /nfs/dbraw/zinc/61/89/63/575618963.db2.gz VXVSPPHUDXEOOF-UHFFFAOYSA-N -1 3 337.351 3.000 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cccc2[nH]ccc21 ZINC000755754426 575628193 /nfs/dbraw/zinc/62/81/93/575628193.db2.gz RONMWPLBAUBBRP-UHFFFAOYSA-N -1 3 327.409 2.664 20 30 EFEDHM O=S(=O)(CCc1ccccc1)NN=Cc1c([O-])cccc1Cl ZINC000755753579 575628272 /nfs/dbraw/zinc/62/82/72/575628272.db2.gz LFXIDGUTOCYJGH-UHFFFAOYSA-N -1 3 338.816 2.542 20 30 EFEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]CCC1Cc2ccccc2C1 ZINC000755970463 575664737 /nfs/dbraw/zinc/66/47/37/575664737.db2.gz DFDLQWUKLDWXJP-UHFFFAOYSA-N -1 3 344.411 2.781 20 30 EFEDHM CCCCCCCOC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000756226245 575704502 /nfs/dbraw/zinc/70/45/02/575704502.db2.gz HNERJYCADKJRDR-SFHVURJKSA-N -1 3 332.400 2.868 20 30 EFEDHM O=C(COC(=O)c1cc(F)cc(C(F)(F)F)c1)[N-]CC(F)(F)F ZINC000756644117 575771773 /nfs/dbraw/zinc/77/17/73/575771773.db2.gz NTBMXIDEQPSZIC-UHFFFAOYSA-N -1 3 347.186 2.680 20 30 EFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccccc1 ZINC000756976197 575807212 /nfs/dbraw/zinc/80/72/12/575807212.db2.gz RIOXUOUBGGZYTH-CYBMUJFWSA-N -1 3 349.433 2.578 20 30 EFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)c1ccccc1 ZINC000756976210 575807234 /nfs/dbraw/zinc/80/72/34/575807234.db2.gz RNTSCCBGAYYYOR-CQSZACIVSA-N -1 3 349.433 2.578 20 30 EFEDHM C=C[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000757003363 575809951 /nfs/dbraw/zinc/80/99/51/575809951.db2.gz CNBYGGOEEAOYCD-SNVBAGLBSA-N -1 3 344.864 2.721 20 30 EFEDHM C=C[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000757003362 575809998 /nfs/dbraw/zinc/80/99/98/575809998.db2.gz CNBYGGOEEAOYCD-JTQLQIEISA-N -1 3 344.864 2.721 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCOC(C)(C)C ZINC000757032603 575813145 /nfs/dbraw/zinc/81/31/45/575813145.db2.gz RWELZTHRJRSHHL-UHFFFAOYSA-N -1 3 334.416 2.957 20 30 EFEDHM COC(=O)c1cccc(COC(=O)c2ccc([O-])cc2C)c1C#N ZINC000758530778 575871764 /nfs/dbraw/zinc/87/17/64/575871764.db2.gz KEZCMMUHWDJYAR-UHFFFAOYSA-N -1 3 325.320 2.716 20 30 EFEDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cccc(F)c2C#N)s1 ZINC000758638920 575874680 /nfs/dbraw/zinc/87/46/80/575874680.db2.gz OQKAQYZKWMDQNH-SECBINFHSA-N -1 3 339.417 2.544 20 30 EFEDHM COC(=O)[C@H](C)Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000758814433 575877800 /nfs/dbraw/zinc/87/78/00/575877800.db2.gz GGMLEONEUTVWDR-LLVKDONJSA-N -1 3 329.352 2.906 20 30 EFEDHM COc1cc(Cl)cc(C=NNC(=S)N[C@H](C)C2CC2)c1[O-] ZINC000758878094 575879271 /nfs/dbraw/zinc/87/92/71/575879271.db2.gz HOZFSPVSBZCVIL-MRVPVSSYSA-N -1 3 327.837 2.651 20 30 EFEDHM [O-]c1c(O)ccc(/C=N\CCOc2cccc(C(F)(F)F)n2)c1O ZINC000759035989 575883157 /nfs/dbraw/zinc/88/31/57/575883157.db2.gz NFGFBIKRBGLENY-UWVJOHFNSA-N -1 3 342.273 2.715 20 30 EFEDHM COc1cccc([O-])c1/C=N/C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000759034866 575883179 /nfs/dbraw/zinc/88/31/79/575883179.db2.gz HDMDDYKCNTYRAF-SVZNOHIVSA-N -1 3 338.407 2.868 20 30 EFEDHM C#CC[N-]C(=S)C(C(=O)c1ccc(CC)cc1)[n+]1cccc([O-])c1 ZINC000759051560 575883638 /nfs/dbraw/zinc/88/36/38/575883638.db2.gz PRDXGAUWYGOPGV-UHFFFAOYSA-O -1 3 339.440 2.676 20 30 EFEDHM C#CC[N-]C(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1cccc([O-])c1 ZINC000759059852 575883798 /nfs/dbraw/zinc/88/37/98/575883798.db2.gz SOOYPOWVIPCOAV-UHFFFAOYSA-O -1 3 345.831 2.767 20 30 EFEDHM C#CC[N-]C(=S)C(C(=O)c1ccc(C)c(C)c1)[n+]1cccc([O-])c1 ZINC000759064237 575883883 /nfs/dbraw/zinc/88/38/83/575883883.db2.gz UZRQHJWANAJCAF-UHFFFAOYSA-O -1 3 339.440 2.731 20 30 EFEDHM Cc1cc(C#N)ccc1COC(=O)c1cccc([N-]S(C)(=O)=O)c1 ZINC000759462393 575892294 /nfs/dbraw/zinc/89/22/94/575892294.db2.gz BFWFUCZZAGFBCG-UHFFFAOYSA-N -1 3 344.392 2.595 20 30 EFEDHM CCOC(=O)c1ccc(NC(=O)c2ccc(C=NOC)cc2)c([O-])c1 ZINC000760208926 575991165 /nfs/dbraw/zinc/99/11/65/575991165.db2.gz JWZNUMGNYVHDIJ-UHFFFAOYSA-N -1 3 342.351 2.802 20 30 EFEDHM C#CCCCC(=O)Nc1cc([N-]S(=O)(=O)CCC)c(F)cc1F ZINC000760235410 575993755 /nfs/dbraw/zinc/99/37/55/575993755.db2.gz DNGGXQCGPITHIX-UHFFFAOYSA-N -1 3 344.383 2.859 20 30 EFEDHM C=CCCC(=O)COC(=O)c1ccc([N-]S(=O)(=O)CCC)cc1 ZINC000761401593 576155201 /nfs/dbraw/zinc/15/52/01/576155201.db2.gz GFBYUKOUMDVGLB-UHFFFAOYSA-N -1 3 339.413 2.530 20 30 EFEDHM CN(C)c1ccc2c(c1)NC(=O)C2=N[N-]c1ncccc1C(F)(F)F ZINC000761782395 576212180 /nfs/dbraw/zinc/21/21/80/576212180.db2.gz NAQOKSXIULGGDK-UHFFFAOYSA-N -1 3 349.316 2.935 20 30 EFEDHM CC(N=Nc1nccc(N2CCOCC2)n1)c1cc(Cl)ccc1[O-] ZINC000762600877 576316727 /nfs/dbraw/zinc/31/67/27/576316727.db2.gz SXXXGPBDKAEQAJ-UHFFFAOYSA-N -1 3 347.806 2.508 20 30 EFEDHM CC1=CC(=O)C(=C([O-])C=Cc2nc(C(C)C)n3ccccc23)C(=O)O1 ZINC000762601525 576316788 /nfs/dbraw/zinc/31/67/88/576316788.db2.gz BDFWJSOGJBAING-ZPUOCTKUSA-N -1 3 338.363 2.686 20 30 EFEDHM Cc1cc([O-])c(C(=O)C=Cc2nc(C(C)C)n3ccccc23)c(=O)o1 ZINC000762601525 576316789 /nfs/dbraw/zinc/31/67/89/576316789.db2.gz BDFWJSOGJBAING-ZPUOCTKUSA-N -1 3 338.363 2.686 20 30 EFEDHM COCC#CCOC(=O)c1[n-]nc(-c2ccccc2)c1Br ZINC000762853530 576339156 /nfs/dbraw/zinc/33/91/56/576339156.db2.gz RNIDIJCHWYXGDO-UHFFFAOYSA-N -1 3 349.184 2.646 20 30 EFEDHM COCC#CCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000762853530 576339158 /nfs/dbraw/zinc/33/91/58/576339158.db2.gz RNIDIJCHWYXGDO-UHFFFAOYSA-N -1 3 349.184 2.646 20 30 EFEDHM Cc1nc2ccc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cc2s1 ZINC000763947484 576413077 /nfs/dbraw/zinc/41/30/77/576413077.db2.gz MZYWMJYMPJCPIO-GFCCVEGCSA-N -1 3 336.376 2.961 20 30 EFEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000764580803 576474868 /nfs/dbraw/zinc/47/48/68/576474868.db2.gz DHVJHARRIWTLTP-UHFFFAOYSA-N -1 3 328.278 2.500 20 30 EFEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000764580803 576474869 /nfs/dbraw/zinc/47/48/69/576474869.db2.gz DHVJHARRIWTLTP-UHFFFAOYSA-N -1 3 328.278 2.500 20 30 EFEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000764580803 576474872 /nfs/dbraw/zinc/47/48/72/576474872.db2.gz DHVJHARRIWTLTP-UHFFFAOYSA-N -1 3 328.278 2.500 20 30 EFEDHM C=CCOc1ccc(COC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000764844918 576511146 /nfs/dbraw/zinc/51/11/46/576511146.db2.gz JKSAIBCEJGYWLL-UHFFFAOYSA-N -1 3 328.368 2.650 20 30 EFEDHM COc1ccc(/C=C\C(=O)c2ccnn2C)c(Br)c1[O-] ZINC000766035139 577100413 /nfs/dbraw/zinc/10/04/13/577100413.db2.gz ZZLXKGDRLMDZMH-HYXAFXHYSA-N -1 3 337.173 2.793 20 30 EFEDHM COc1cc(C=NNc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[O-] ZINC000767012055 577192171 /nfs/dbraw/zinc/19/21/71/577192171.db2.gz RGNCGAUAPCKTIP-UHFFFAOYSA-N -1 3 332.272 2.663 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(F)c(F)cc1F ZINC000767780823 577233640 /nfs/dbraw/zinc/23/36/40/577233640.db2.gz WOINCUREGKHFAM-UHFFFAOYSA-N -1 3 328.315 2.557 20 30 EFEDHM O=C1CN(N=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)[N-]1 ZINC000725848814 577248792 /nfs/dbraw/zinc/24/87/92/577248792.db2.gz JXBLVACWOBUVDU-UHFFFAOYSA-N -1 3 348.156 2.595 20 30 EFEDHM COc1cccc([O-])c1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000768841601 577308365 /nfs/dbraw/zinc/30/83/65/577308365.db2.gz LWLWYWUORYGFEM-UHFFFAOYSA-N -1 3 341.386 2.734 20 30 EFEDHM COc1ccsc1C(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000769788942 577385097 /nfs/dbraw/zinc/38/50/97/577385097.db2.gz DTKBPZOHDFMMCG-UHFFFAOYSA-N -1 3 338.454 2.643 20 30 EFEDHM O=[N+]([O-])c1ccc(N=NCc2cc([O-])ccc2Br)nc1 ZINC000769795871 577385575 /nfs/dbraw/zinc/38/55/75/577385575.db2.gz BRDSHDPSSSWQGR-UHFFFAOYSA-N -1 3 337.133 2.904 20 30 EFEDHM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n1 ZINC000770055635 577399797 /nfs/dbraw/zinc/39/97/97/577399797.db2.gz SSWLJUHLSHLHDL-ZDUSSCGKSA-N -1 3 325.372 2.600 20 30 EFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000770378832 577413854 /nfs/dbraw/zinc/41/38/54/577413854.db2.gz KIQBLURLSPTDKY-VIFPVBQESA-N -1 3 336.638 2.793 20 30 EFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000770390996 577414959 /nfs/dbraw/zinc/41/49/59/577414959.db2.gz QDSDOBNQCPDSJF-SECBINFHSA-N -1 3 336.276 2.899 20 30 EFEDHM CCOC(=O)c1ccc(NC(=O)c2ccccc2OCC#N)c([O-])c1 ZINC000770864752 581143189 /nfs/dbraw/zinc/14/31/89/581143189.db2.gz BIRXKGKDTUZSMA-UHFFFAOYSA-N -1 3 340.335 2.724 20 30 EFEDHM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1cncc([O-])c1 ZINC000771359224 581202944 /nfs/dbraw/zinc/20/29/44/581202944.db2.gz BKCFMAGJIBMVSF-UHFFFAOYSA-N -1 3 337.253 2.894 20 30 EFEDHM C=C(C)[C@@H]1CC=C(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)CC1 ZINC000771618767 581227300 /nfs/dbraw/zinc/22/73/00/581227300.db2.gz LSQGZCUYASBASC-CABCVRRESA-N -1 3 343.489 2.796 20 30 EFEDHM C[C@H](OC(=O)c1c([O-])cccc1F)C(=O)Nc1cccc(C#N)c1 ZINC000772590302 581344054 /nfs/dbraw/zinc/34/40/54/581344054.db2.gz BWGRJLVAMGTTJQ-JTQLQIEISA-N -1 3 328.299 2.587 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)[C@H]1CCCO1 ZINC000773047648 581390519 /nfs/dbraw/zinc/39/05/19/581390519.db2.gz DBGYDRANRIGRCG-VXGBXAGGSA-N -1 3 327.471 2.505 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000773054387 581391431 /nfs/dbraw/zinc/39/14/31/581391431.db2.gz KENIHKVPBPAJFA-KBPBESRZSA-N -1 3 348.251 2.594 20 30 EFEDHM CN(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccn1 ZINC000773977799 581476310 /nfs/dbraw/zinc/47/63/10/581476310.db2.gz ZAELTVFJDSVOHY-AWEZNQCLSA-N -1 3 342.786 2.762 20 30 EFEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1F ZINC000774043381 581480026 /nfs/dbraw/zinc/48/00/26/581480026.db2.gz OXIRLVDLZYRGQU-CQSZACIVSA-N -1 3 339.326 2.745 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)cc1 ZINC000774054160 581480684 /nfs/dbraw/zinc/48/06/84/581480684.db2.gz QTNRMAUEYXTCQB-CYBMUJFWSA-N -1 3 329.381 2.730 20 30 EFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1cc(Cl)ccn1 ZINC000774399092 581490820 /nfs/dbraw/zinc/49/08/20/581490820.db2.gz LFSIZKVQVQXOHY-UHFFFAOYSA-N -1 3 335.682 2.551 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C[C@@H]1CCOC1 ZINC000774750589 581499864 /nfs/dbraw/zinc/49/98/64/581499864.db2.gz QVNSNDZCQCHWQD-FZMZJTMJSA-N -1 3 332.400 2.567 20 30 EFEDHM N#Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1-c1nnn[n-]1 ZINC000737719443 598927722 /nfs/dbraw/zinc/92/77/22/598927722.db2.gz UUOYJRFXJDOPRY-UHFFFAOYSA-N -1 3 348.410 2.893 20 30 EFEDHM N#Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1-c1nn[n-]n1 ZINC000737719443 598927724 /nfs/dbraw/zinc/92/77/24/598927724.db2.gz UUOYJRFXJDOPRY-UHFFFAOYSA-N -1 3 348.410 2.893 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ncc(C#N)cc1Cl ZINC000737032449 598934634 /nfs/dbraw/zinc/93/46/34/598934634.db2.gz MIIDGJBZGBFKQF-UHFFFAOYSA-N -1 3 328.719 2.588 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ncc(C#N)cc1Cl ZINC000737032449 598934636 /nfs/dbraw/zinc/93/46/36/598934636.db2.gz MIIDGJBZGBFKQF-UHFFFAOYSA-N -1 3 328.719 2.588 20 30 EFEDHM CCc1nc(C)c(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821505518 607254626 /nfs/dbraw/zinc/25/46/26/607254626.db2.gz SELJWXULHVKPDP-UHFFFAOYSA-N -1 3 341.444 2.708 20 30 EFEDHM CCc1nc(C)c(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821505518 607254627 /nfs/dbraw/zinc/25/46/27/607254627.db2.gz SELJWXULHVKPDP-UHFFFAOYSA-N -1 3 341.444 2.708 20 30 EFEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1O ZINC000821786969 599113086 /nfs/dbraw/zinc/11/30/86/599113086.db2.gz MMNDBGCYPCITHL-MDWZMJQESA-N -1 3 348.362 2.793 20 30 EFEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1O ZINC000821786969 599113088 /nfs/dbraw/zinc/11/30/88/599113088.db2.gz MMNDBGCYPCITHL-MDWZMJQESA-N -1 3 348.362 2.793 20 30 EFEDHM Cc1cccc([C@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1 ZINC000822288961 599124276 /nfs/dbraw/zinc/12/42/76/599124276.db2.gz OCEOLZZHPRRGCQ-JTQLQIEISA-N -1 3 337.412 2.877 20 30 EFEDHM Cc1cccc([C@H](C)Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1 ZINC000822288961 599124278 /nfs/dbraw/zinc/12/42/78/599124278.db2.gz OCEOLZZHPRRGCQ-JTQLQIEISA-N -1 3 337.412 2.877 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)C(=O)OCCCC ZINC000735420444 599130549 /nfs/dbraw/zinc/13/05/49/599130549.db2.gz PNXKEGQTSWWZIJ-AWEZNQCLSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)OCCCC ZINC000735420444 599130551 /nfs/dbraw/zinc/13/05/51/599130551.db2.gz PNXKEGQTSWWZIJ-AWEZNQCLSA-N -1 3 343.431 2.587 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000737082562 599150776 /nfs/dbraw/zinc/15/07/76/599150776.db2.gz XJNIKLXPCGAKIP-KRXBUXKQSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000737082562 599150778 /nfs/dbraw/zinc/15/07/78/599150778.db2.gz XJNIKLXPCGAKIP-KRXBUXKQSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(C=CC(=O)c2cnn(C(C)C)c2)cc1-c1nnn[n-]1 ZINC000737082703 599156416 /nfs/dbraw/zinc/15/64/16/599156416.db2.gz YILJTRGJVFJAGE-GQCTYLIASA-N -1 3 338.371 2.549 20 30 EFEDHM COc1ccc(C=CC(=O)c2cnn(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000737082703 599156418 /nfs/dbraw/zinc/15/64/18/599156418.db2.gz YILJTRGJVFJAGE-GQCTYLIASA-N -1 3 338.371 2.549 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1-c1nnn[n-]1 ZINC000737718482 599195604 /nfs/dbraw/zinc/19/56/04/599195604.db2.gz JPKDYHAEAWSXNU-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1-c1nn[n-]n1 ZINC000737718482 599195606 /nfs/dbraw/zinc/19/56/06/599195606.db2.gz JPKDYHAEAWSXNU-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3ncsc3c2)ccc1-c1nnn[n-]1 ZINC000737709180 599196423 /nfs/dbraw/zinc/19/64/23/599196423.db2.gz KXYHXRAIGGGZIC-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3ncsc3c2)ccc1-c1nn[n-]n1 ZINC000737709180 599196424 /nfs/dbraw/zinc/19/64/24/599196424.db2.gz KXYHXRAIGGGZIC-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM C[C@H](Nc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccc(C#N)cc1 ZINC000736137975 599271508 /nfs/dbraw/zinc/27/15/08/599271508.db2.gz MVKUTUMLPMHNDJ-LBPRGKRZSA-N -1 3 341.378 2.882 20 30 EFEDHM C[C@H](Nc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccc(C#N)cc1 ZINC000736137975 599271509 /nfs/dbraw/zinc/27/15/09/599271509.db2.gz MVKUTUMLPMHNDJ-LBPRGKRZSA-N -1 3 341.378 2.882 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201361 598377039 /nfs/dbraw/zinc/37/70/39/598377039.db2.gz DCJHVOUVUUOBCE-RMKNXTFCSA-N -1 3 337.358 2.958 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201361 598377041 /nfs/dbraw/zinc/37/70/41/598377041.db2.gz DCJHVOUVUUOBCE-RMKNXTFCSA-N -1 3 337.358 2.958 20 30 EFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1sccc1C#N ZINC000735662867 598489627 /nfs/dbraw/zinc/48/96/27/598489627.db2.gz ZTQDEGMAWAPYOO-UHFFFAOYSA-N -1 3 341.400 2.609 20 30 EFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1sccc1C#N ZINC000735662867 598489628 /nfs/dbraw/zinc/48/96/28/598489628.db2.gz ZTQDEGMAWAPYOO-UHFFFAOYSA-N -1 3 341.400 2.609 20 30 EFEDHM CCOc1ccc(O)c(C=Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000736648270 598580662 /nfs/dbraw/zinc/58/06/62/598580662.db2.gz YMRXZFYEAGDKHY-UHFFFAOYSA-N -1 3 327.319 2.861 20 30 EFEDHM CCOc1ccc(O)c(C=Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736648270 598580663 /nfs/dbraw/zinc/58/06/63/598580663.db2.gz YMRXZFYEAGDKHY-UHFFFAOYSA-N -1 3 327.319 2.861 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(O)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204324 598640630 /nfs/dbraw/zinc/64/06/30/598640630.db2.gz ZNCBAWYIFYUSBJ-RMKNXTFCSA-N -1 3 335.367 2.525 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(O)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204324 598640632 /nfs/dbraw/zinc/64/06/32/598640632.db2.gz ZNCBAWYIFYUSBJ-RMKNXTFCSA-N -1 3 335.367 2.525 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735389826 598659576 /nfs/dbraw/zinc/65/95/76/598659576.db2.gz LBUDKIYBNSOMSX-QXMHVHEDSA-N -1 3 329.363 2.524 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735389826 598659578 /nfs/dbraw/zinc/65/95/78/598659578.db2.gz LBUDKIYBNSOMSX-QXMHVHEDSA-N -1 3 329.363 2.524 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCSCC1 ZINC000735419029 598790982 /nfs/dbraw/zinc/79/09/82/598790982.db2.gz OZTGWKKPTJDYHH-UHFFFAOYSA-N -1 3 343.456 2.525 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCSCC1 ZINC000735419029 598790983 /nfs/dbraw/zinc/79/09/83/598790983.db2.gz OZTGWKKPTJDYHH-UHFFFAOYSA-N -1 3 343.456 2.525 20 30 EFEDHM COc1ccc(C=NNc2cccc(F)c2F)cc1-c1nnn[n-]1 ZINC000821786667 599340124 /nfs/dbraw/zinc/34/01/24/599340124.db2.gz HKGCTCWIRDLZFB-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1ccc(C=NNc2cccc(F)c2F)cc1-c1nn[n-]n1 ZINC000821786667 599340127 /nfs/dbraw/zinc/34/01/27/599340127.db2.gz HKGCTCWIRDLZFB-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820322406 599538697 /nfs/dbraw/zinc/53/86/97/599538697.db2.gz SDFXSCRJBWAONL-ASCRHOAZSA-N -1 3 344.378 2.629 20 30 EFEDHM C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820322406 599538699 /nfs/dbraw/zinc/53/86/99/599538699.db2.gz SDFXSCRJBWAONL-ASCRHOAZSA-N -1 3 344.378 2.629 20 30 EFEDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCCC#Cc1ccccc1 ZINC000822978204 599626017 /nfs/dbraw/zinc/62/60/17/599626017.db2.gz FTJAZRORZHYOLS-UHFFFAOYSA-N -1 3 346.390 2.784 20 30 EFEDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCCC#Cc1ccccc1 ZINC000822978204 599626018 /nfs/dbraw/zinc/62/60/18/599626018.db2.gz FTJAZRORZHYOLS-UHFFFAOYSA-N -1 3 346.390 2.784 20 30 EFEDHM N#Cc1c(F)cccc1N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738425980 600398086 /nfs/dbraw/zinc/39/80/86/600398086.db2.gz QWMNKZZRWZNVIJ-GOSISDBHSA-N -1 3 339.370 2.645 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)OCO2 ZINC000822922353 607457065 /nfs/dbraw/zinc/45/70/65/607457065.db2.gz FSXLFNKUPUKIIG-HYXAFXHYSA-N -1 3 338.298 2.631 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)OCO2 ZINC000822922353 607457066 /nfs/dbraw/zinc/45/70/66/607457066.db2.gz FSXLFNKUPUKIIG-HYXAFXHYSA-N -1 3 338.298 2.631 20 30 EFEDHM C=CCCCCCN(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736097330 600622578 /nfs/dbraw/zinc/62/25/78/600622578.db2.gz HKWKHHWEIOWNCJ-SFHVURJKSA-N -1 3 344.455 2.703 20 30 EFEDHM CC(C)Cc1ncc(C=NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820108197 607462836 /nfs/dbraw/zinc/46/28/36/607462836.db2.gz GVODHGJQEKZQIM-UHFFFAOYSA-N -1 3 327.417 2.968 20 30 EFEDHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCCSCC#N ZINC000828493356 600793867 /nfs/dbraw/zinc/79/38/67/600793867.db2.gz CEERVUIXJVMUFA-AWEZNQCLSA-N -1 3 333.457 2.542 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064592 601236949 /nfs/dbraw/zinc/23/69/49/601236949.db2.gz SSAGJKZMNGOKBV-TUAOUCFPSA-N -1 3 348.786 2.878 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064594 601237003 /nfs/dbraw/zinc/23/70/03/601237003.db2.gz SSAGJKZMNGOKBV-WOPDTQHZSA-N -1 3 348.786 2.878 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000827717921 601300428 /nfs/dbraw/zinc/30/04/28/601300428.db2.gz MZQOCZMWVODIKT-BUXKBTBVSA-N -1 3 349.390 2.919 20 30 EFEDHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000830075214 601301187 /nfs/dbraw/zinc/30/11/87/601301187.db2.gz MBELLSLIMBTOOQ-GOSISDBHSA-N -1 3 340.379 2.881 20 30 EFEDHM N#Cc1cccc([C@H](NCc2ccccc2-n2cccn2)C(=O)[O-])c1 ZINC000833076266 601303548 /nfs/dbraw/zinc/30/35/48/601303548.db2.gz SVMHBLKOCJEKKE-SFHVURJKSA-N -1 3 332.363 2.659 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000827717192 601303966 /nfs/dbraw/zinc/30/39/66/601303966.db2.gz FDXVFGVUEZTZGF-HXPMCKFVSA-N -1 3 349.390 2.554 20 30 EFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000827717191 601303984 /nfs/dbraw/zinc/30/39/84/601303984.db2.gz FDXVFGVUEZTZGF-CWTRNNRKSA-N -1 3 349.390 2.554 20 30 EFEDHM CCOc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000830044277 601304963 /nfs/dbraw/zinc/30/49/63/601304963.db2.gz JZMCATXXGQGKEY-SFHVURJKSA-N -1 3 340.379 2.881 20 30 EFEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832311149 601309390 /nfs/dbraw/zinc/30/93/90/601309390.db2.gz QWFGTSUGHLWESW-GOSISDBHSA-N -1 3 340.379 2.833 20 30 EFEDHM CN(Cc1ccc2c(c1)OCCO2)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830839976 601309659 /nfs/dbraw/zinc/30/96/59/601309659.db2.gz GWCKTTVTSMINEO-GOSISDBHSA-N -1 3 338.363 2.587 20 30 EFEDHM COc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1 ZINC000831989434 601312802 /nfs/dbraw/zinc/31/28/02/601312802.db2.gz ASXXJXIXWQADRM-SFHVURJKSA-N -1 3 340.379 2.833 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826379780 607509415 /nfs/dbraw/zinc/50/94/15/607509415.db2.gz BIDYADYKSRCTMI-FUHWJXTLSA-N -1 3 345.410 2.533 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826379780 607509417 /nfs/dbraw/zinc/50/94/17/607509417.db2.gz BIDYADYKSRCTMI-FUHWJXTLSA-N -1 3 345.410 2.533 20 30 EFEDHM C=CCCCC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000825671039 601733898 /nfs/dbraw/zinc/73/38/98/601733898.db2.gz BFXMHHPLMAKXSE-LJQANCHMSA-N -1 3 330.428 2.578 20 30 EFEDHM COc1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)cc1C#N ZINC000826206637 607552146 /nfs/dbraw/zinc/55/21/46/607552146.db2.gz FKFRLWLXIWANNV-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccc(COc2cc(Cl)ccc2-c2nn[n-]n2)cc1C#N ZINC000826206637 607552148 /nfs/dbraw/zinc/55/21/48/607552148.db2.gz FKFRLWLXIWANNV-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)cc1C ZINC000825625767 607669823 /nfs/dbraw/zinc/66/98/23/607669823.db2.gz DIQYXFZXXIIYKQ-UHFFFAOYSA-N -1 3 348.366 2.698 20 30 EFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)cc1C ZINC000825625767 607669824 /nfs/dbraw/zinc/66/98/24/607669824.db2.gz DIQYXFZXXIIYKQ-UHFFFAOYSA-N -1 3 348.366 2.698 20 30 EFEDHM CC(=O)N1CC[C@H](N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21 ZINC000833393185 604631444 /nfs/dbraw/zinc/63/14/44/604631444.db2.gz HKVQOTBOILQGSF-PKOBYXMFSA-N -1 3 349.390 2.771 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CN[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000828587895 605001859 /nfs/dbraw/zinc/00/18/59/605001859.db2.gz YJURUFIXXQPNDD-WBVHZDCISA-N -1 3 325.368 2.678 20 30 EFEDHM C[C@]1(NCc2nnc(-c3ccc(C#N)cc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833570323 605067721 /nfs/dbraw/zinc/06/77/21/605067721.db2.gz RBILHTNLELDMOV-KSSFIOAISA-N -1 3 340.383 2.731 20 30 EFEDHM CC[C@H](C#N)Oc1cc(CNCc2ccc(C(=O)[O-])[nH]2)ccc1OC ZINC000833636043 605116138 /nfs/dbraw/zinc/11/61/38/605116138.db2.gz FLHWEWILFUHQOQ-CQSZACIVSA-N -1 3 343.383 2.692 20 30 EFEDHM C=CCOc1ccc(CN2CC[C@@H](OC)C[C@@H]2C(=O)[O-])cc1Cl ZINC000833378058 605487517 /nfs/dbraw/zinc/48/75/17/605487517.db2.gz WXSSUWNGHIJVQG-UKRRQHHQSA-N -1 3 339.819 2.969 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(F)cccc21 ZINC000823503765 606391475 /nfs/dbraw/zinc/39/14/75/606391475.db2.gz IPNQDJMFGMFKAO-VURMDHGXSA-N -1 3 328.328 2.726 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC000822800904 606420574 /nfs/dbraw/zinc/42/05/74/606420574.db2.gz APZHJRIIUAWMGR-JKSUJKDBSA-N -1 3 331.383 2.538 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC000822800904 606420576 /nfs/dbraw/zinc/42/05/76/606420576.db2.gz APZHJRIIUAWMGR-JKSUJKDBSA-N -1 3 331.383 2.538 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000821471070 606497291 /nfs/dbraw/zinc/49/72/91/606497291.db2.gz VGOLILGNNLAJHE-UHFFFAOYSA-N -1 3 330.398 2.676 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000821471070 606497293 /nfs/dbraw/zinc/49/72/93/606497293.db2.gz VGOLILGNNLAJHE-UHFFFAOYSA-N -1 3 330.398 2.676 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)CCO2 ZINC000821849289 606836319 /nfs/dbraw/zinc/83/63/19/606836319.db2.gz BZHSUBWMNYPXEA-LCYFTJDESA-N -1 3 348.362 2.924 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CCO2 ZINC000821849289 606836322 /nfs/dbraw/zinc/83/63/22/606836322.db2.gz BZHSUBWMNYPXEA-LCYFTJDESA-N -1 3 348.362 2.924 20 30 EFEDHM C=CCC(CC=C)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000819734462 606949847 /nfs/dbraw/zinc/94/98/47/606949847.db2.gz OHVHEEIDWFXBSX-UHFFFAOYSA-N -1 3 349.398 2.759 20 30 EFEDHM COc1ccc(C=NNCc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000821786671 606990667 /nfs/dbraw/zinc/99/06/67/606990667.db2.gz HLBIUBZAFJSSNU-UHFFFAOYSA-N -1 3 342.790 2.652 20 30 EFEDHM COc1ccc(C=NNCc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000821786671 606990668 /nfs/dbraw/zinc/99/06/68/606990668.db2.gz HLBIUBZAFJSSNU-UHFFFAOYSA-N -1 3 342.790 2.652 20 30 EFEDHM Fc1ccccc1CCNN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000822796471 606991302 /nfs/dbraw/zinc/99/13/02/606991302.db2.gz SDMQZIDIEUQWSE-UHFFFAOYSA-N -1 3 349.373 2.653 20 30 EFEDHM Fc1ccccc1CCNN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822796471 606991304 /nfs/dbraw/zinc/99/13/04/606991304.db2.gz SDMQZIDIEUQWSE-UHFFFAOYSA-N -1 3 349.373 2.653 20 30 EFEDHM CCOc1cc(C#N)ccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821394777 607006788 /nfs/dbraw/zinc/00/67/88/607006788.db2.gz NRHWFCFTXBZUMZ-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cc(C#N)ccc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821394777 607006789 /nfs/dbraw/zinc/00/67/89/607006789.db2.gz NRHWFCFTXBZUMZ-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM N#Cc1ccsc1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822842664 607012313 /nfs/dbraw/zinc/01/23/13/607012313.db2.gz SOIOTOQAZSLLPG-UHFFFAOYSA-N -1 3 342.409 2.531 20 30 EFEDHM N#Cc1ccsc1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822842664 607012314 /nfs/dbraw/zinc/01/23/14/607012314.db2.gz SOIOTOQAZSLLPG-UHFFFAOYSA-N -1 3 342.409 2.531 20 30 EFEDHM COc1ccc(C=NNc2cc(C)ccc2F)cc1-c1nnn[n-]1 ZINC000821786761 607111182 /nfs/dbraw/zinc/11/11/82/607111182.db2.gz IVGDAYTZWDBDOJ-UHFFFAOYSA-N -1 3 326.335 2.769 20 30 EFEDHM COc1ccc(C=NNc2cc(C)ccc2F)cc1-c1nn[n-]n1 ZINC000821786761 607111183 /nfs/dbraw/zinc/11/11/83/607111183.db2.gz IVGDAYTZWDBDOJ-UHFFFAOYSA-N -1 3 326.335 2.769 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1cc2ccccc2o1 ZINC000822819341 607133730 /nfs/dbraw/zinc/13/37/30/607133730.db2.gz QJMCVBNNAYKUBG-UHFFFAOYSA-N -1 3 349.379 2.754 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1cc2ccccc2o1 ZINC000822819341 607133731 /nfs/dbraw/zinc/13/37/31/607133731.db2.gz QJMCVBNNAYKUBG-UHFFFAOYSA-N -1 3 349.379 2.754 20 30 EFEDHM Fc1cccc(CNN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000822787354 607147573 /nfs/dbraw/zinc/14/75/73/607147573.db2.gz ZLKQHCLEZMJOAS-UHFFFAOYSA-N -1 3 335.346 2.611 20 30 EFEDHM Fc1cccc(CNN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822787354 607147575 /nfs/dbraw/zinc/14/75/75/607147575.db2.gz ZLKQHCLEZMJOAS-UHFFFAOYSA-N -1 3 335.346 2.611 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379738 607796700 /nfs/dbraw/zinc/79/67/00/607796700.db2.gz KGWDHFRSHUASDT-UHFFFAOYSA-N -1 3 332.367 2.714 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379738 607796701 /nfs/dbraw/zinc/79/67/01/607796701.db2.gz KGWDHFRSHUASDT-UHFFFAOYSA-N -1 3 332.367 2.714 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1sc(CC)cc1-c1nnn[n-]1)OCC ZINC000823874867 607924739 /nfs/dbraw/zinc/92/47/39/607924739.db2.gz ZSPSLBFMUMQMFF-LBPRGKRZSA-N -1 3 335.433 2.800 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1sc(CC)cc1-c1nn[n-]n1)OCC ZINC000823874867 607924740 /nfs/dbraw/zinc/92/47/40/607924740.db2.gz ZSPSLBFMUMQMFF-LBPRGKRZSA-N -1 3 335.433 2.800 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(CC#N)cc2)s1 ZINC000825694569 608003770 /nfs/dbraw/zinc/00/37/70/608003770.db2.gz URKGBKGVJIUSJR-UHFFFAOYSA-N -1 3 338.396 2.809 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(CC#N)cc2)s1 ZINC000825694569 608003771 /nfs/dbraw/zinc/00/37/71/608003771.db2.gz URKGBKGVJIUSJR-UHFFFAOYSA-N -1 3 338.396 2.809 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1ccccc1F ZINC000826184991 608150856 /nfs/dbraw/zinc/15/08/56/608150856.db2.gz UIWCMOCUXUMMSI-UHFFFAOYSA-N -1 3 327.319 2.565 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1ccccc1F ZINC000826184991 608150858 /nfs/dbraw/zinc/15/08/58/608150858.db2.gz UIWCMOCUXUMMSI-UHFFFAOYSA-N -1 3 327.319 2.565 20 30 EFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1nc2c(cc1C#N)CCCC2 ZINC000825976780 608272198 /nfs/dbraw/zinc/27/21/98/608272198.db2.gz PSYSFZQNKQOTBP-UHFFFAOYSA-N -1 3 345.410 2.649 20 30 EFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1nc2c(cc1C#N)CCCC2 ZINC000825976780 608272200 /nfs/dbraw/zinc/27/22/00/608272200.db2.gz PSYSFZQNKQOTBP-UHFFFAOYSA-N -1 3 345.410 2.649 20 30 EFEDHM C=CCC[C@H](C)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000823894348 608275430 /nfs/dbraw/zinc/27/54/30/608275430.db2.gz NRYMCCNOWNRGMY-LBPRGKRZSA-N -1 3 332.429 2.998 20 30 EFEDHM C=CCC[C@H](C)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000823894348 608275432 /nfs/dbraw/zinc/27/54/32/608275432.db2.gz NRYMCCNOWNRGMY-LBPRGKRZSA-N -1 3 332.429 2.998 20 30 EFEDHM N#Cc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826384644 608291429 /nfs/dbraw/zinc/29/14/29/608291429.db2.gz DDOYIJNGQUKWFE-UHFFFAOYSA-N -1 3 331.383 2.624 20 30 EFEDHM N#Cc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826384644 608291432 /nfs/dbraw/zinc/29/14/32/608291432.db2.gz DDOYIJNGQUKWFE-UHFFFAOYSA-N -1 3 331.383 2.624 20 30 EFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000823838891 608332406 /nfs/dbraw/zinc/33/24/06/608332406.db2.gz WJXAHWXSXUUVLQ-SFHVURJKSA-N -1 3 346.390 2.587 20 30 EFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000823838891 608332408 /nfs/dbraw/zinc/33/24/08/608332408.db2.gz WJXAHWXSXUUVLQ-SFHVURJKSA-N -1 3 346.390 2.587 20 30 EFEDHM C=CCNc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)s1 ZINC000823925945 608393179 /nfs/dbraw/zinc/39/31/79/608393179.db2.gz RTSFIJXTLOSUNV-UHFFFAOYSA-N -1 3 349.420 2.748 20 30 EFEDHM C=CCNc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)s1 ZINC000823925945 608393181 /nfs/dbraw/zinc/39/31/81/608393181.db2.gz RTSFIJXTLOSUNV-UHFFFAOYSA-N -1 3 349.420 2.748 20 30 EFEDHM O=C1c2cc(F)ccc2OC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475252 608881154 /nfs/dbraw/zinc/88/11/54/608881154.db2.gz ABUMDAUULLKYPR-MKMNVTDBSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1c2cc(F)ccc2OC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475252 608881158 /nfs/dbraw/zinc/88/11/58/608881158.db2.gz ABUMDAUULLKYPR-MKMNVTDBSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1c2cc(F)ccc2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475786 608881473 /nfs/dbraw/zinc/88/14/73/608881473.db2.gz QNGSTRSAJDSIHU-YHYXMXQVSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cc(F)ccc2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475786 608881475 /nfs/dbraw/zinc/88/14/75/608881475.db2.gz QNGSTRSAJDSIHU-YHYXMXQVSA-N -1 3 340.289 2.804 20 30 EFEDHM CC(=NNc1ccc(Cl)nc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958153 609159141 /nfs/dbraw/zinc/15/91/41/609159141.db2.gz FJQCFTMECABDTD-UHFFFAOYSA-N -1 3 331.742 2.890 20 30 EFEDHM CC(=NNc1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958153 609159143 /nfs/dbraw/zinc/15/91/43/609159143.db2.gz FJQCFTMECABDTD-UHFFFAOYSA-N -1 3 331.742 2.890 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1ccccc1CC#N ZINC000826254204 609237522 /nfs/dbraw/zinc/23/75/22/609237522.db2.gz ZPTHYAXYSSSKQY-UHFFFAOYSA-N -1 3 347.378 2.527 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1ccccc1CC#N ZINC000826254204 609237523 /nfs/dbraw/zinc/23/75/23/609237523.db2.gz ZPTHYAXYSSSKQY-UHFFFAOYSA-N -1 3 347.378 2.527 20 30 EFEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825267635 609248714 /nfs/dbraw/zinc/24/87/14/609248714.db2.gz LCMLXSRLNWYXJQ-CQSZACIVSA-N -1 3 348.382 2.916 20 30 EFEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825267635 609248716 /nfs/dbraw/zinc/24/87/16/609248716.db2.gz LCMLXSRLNWYXJQ-CQSZACIVSA-N -1 3 348.382 2.916 20 30 EFEDHM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824136624 609271307 /nfs/dbraw/zinc/27/13/07/609271307.db2.gz RSNPZBFOHRWYEA-FNORWQNLSA-N -1 3 340.362 2.923 20 30 EFEDHM CC(C)(C)c1n[nH]cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824136624 609271309 /nfs/dbraw/zinc/27/13/09/609271309.db2.gz RSNPZBFOHRWYEA-FNORWQNLSA-N -1 3 340.362 2.923 20 30 EFEDHM Cc1nnc(SCc2cccc(C#N)c2F)c(-c2nnn[n-]2)c1C ZINC000826337503 609306480 /nfs/dbraw/zinc/30/64/80/609306480.db2.gz QWAMSKGPWVGURZ-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nnc(SCc2cccc(C#N)c2F)c(-c2nn[n-]n2)c1C ZINC000826337503 609306482 /nfs/dbraw/zinc/30/64/82/609306482.db2.gz QWAMSKGPWVGURZ-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM C#CCCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823841444 609323394 /nfs/dbraw/zinc/32/33/94/609323394.db2.gz NLVNCEVUDTWTAS-UHFFFAOYSA-N -1 3 347.378 2.802 20 30 EFEDHM C#CCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823841444 609323395 /nfs/dbraw/zinc/32/33/95/609323395.db2.gz NLVNCEVUDTWTAS-UHFFFAOYSA-N -1 3 347.378 2.802 20 30 EFEDHM C[C@@H](C#N)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824034725 609350769 /nfs/dbraw/zinc/35/07/69/609350769.db2.gz NVBMEPUOAGOTDB-NSHDSACASA-N -1 3 335.323 2.728 20 30 EFEDHM C[C@@H](C#N)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824034725 609350771 /nfs/dbraw/zinc/35/07/71/609350771.db2.gz NVBMEPUOAGOTDB-NSHDSACASA-N -1 3 335.323 2.728 20 30 EFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823999964 609370125 /nfs/dbraw/zinc/37/01/25/609370125.db2.gz OWUKHAMOYRFKAG-NYYWCZLTSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823999964 609370127 /nfs/dbraw/zinc/37/01/27/609370127.db2.gz OWUKHAMOYRFKAG-NYYWCZLTSA-N -1 3 333.351 2.721 20 30 EFEDHM C#CCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823850809 609441530 /nfs/dbraw/zinc/44/15/30/609441530.db2.gz UPHGRRWDNJVBEV-CYBMUJFWSA-N -1 3 346.394 2.527 20 30 EFEDHM C#CCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823850809 609441533 /nfs/dbraw/zinc/44/15/33/609441533.db2.gz UPHGRRWDNJVBEV-CYBMUJFWSA-N -1 3 346.394 2.527 20 30 EFEDHM Cc1[nH]c2ccc(F)cc2c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826233831 609449257 /nfs/dbraw/zinc/44/92/57/609449257.db2.gz XFLDDJOZZQKSHY-UHFFFAOYSA-N -1 3 349.373 2.919 20 30 EFEDHM Cc1[nH]c2ccc(F)cc2c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826233831 609449259 /nfs/dbraw/zinc/44/92/59/609449259.db2.gz XFLDDJOZZQKSHY-UHFFFAOYSA-N -1 3 349.373 2.919 20 30 EFEDHM CC(Cc1ccncc1)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824457712 609473008 /nfs/dbraw/zinc/47/30/08/609473008.db2.gz QTNMPHVPEJGIAR-UHFFFAOYSA-N -1 3 327.779 2.946 20 30 EFEDHM CC(Cc1ccncc1)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824457712 609473010 /nfs/dbraw/zinc/47/30/10/609473010.db2.gz QTNMPHVPEJGIAR-UHFFFAOYSA-N -1 3 327.779 2.946 20 30 EFEDHM N#Cc1ccc(NCC2(CCNC(=O)c3ccccc3[O-])CC2)nc1 ZINC001089896907 1256376082 /nfs/dbraw/zinc/37/60/82/1256376082.db2.gz CIIOORLFRAQBLG-UHFFFAOYSA-N -1 3 336.395 2.671 20 30 EFEDHM Cc1cc(C#N)ccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000131406089 1257502545 /nfs/dbraw/zinc/50/25/45/1257502545.db2.gz PTYVHFZLMZSDDC-UHFFFAOYSA-N -1 3 349.390 2.720 20 30 EFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c([O-])c(F)c1 ZINC001272781582 1258010875 /nfs/dbraw/zinc/01/08/75/1258010875.db2.gz DHBLGVKTCRWXEM-HZPDHXFCSA-N -1 3 336.382 2.812 20 30 EFEDHM CC(C)(C)C#CC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065864339 1266242346 /nfs/dbraw/zinc/24/23/46/1266242346.db2.gz HEKDNOQFUYPLMT-HNNXBMFYSA-N -1 3 342.439 2.553 20 30 EFEDHM C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062015247 1260015871 /nfs/dbraw/zinc/01/58/71/1260015871.db2.gz LWHCUNLCKBXHPE-OAHLLOKOSA-N -1 3 330.428 2.859 20 30 EFEDHM CC(C)C#CC(=O)N1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC001078831624 1262400029 /nfs/dbraw/zinc/40/00/29/1262400029.db2.gz QGRGULVHOURWFP-MRXNPFEDSA-N -1 3 342.439 2.505 20 30 EFEDHM C=C(C)CCC(=O)N1CC2(C1)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001061023457 1262530770 /nfs/dbraw/zinc/53/07/70/1262530770.db2.gz VRFMMLSQPYJBIL-UHFFFAOYSA-N -1 3 342.439 2.813 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCC[C@H](NC(=O)c3ccccc3[O-])C2)nc1 ZINC001061047939 1262820681 /nfs/dbraw/zinc/82/06/81/1262820681.db2.gz NSKOSBPBNDTYQW-CABCVRRESA-N -1 3 336.395 2.812 20 30 EFEDHM C=CC(C)(C)C(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089981467 1263977525 /nfs/dbraw/zinc/97/75/25/1263977525.db2.gz IERHSGPIEJACCK-UHFFFAOYSA-N -1 3 348.403 2.606 20 30 EFEDHM COc1cc(C=NNc2ccnc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000730148343 1264214799 /nfs/dbraw/zinc/21/47/99/1264214799.db2.gz RBAHEOVBZSRKHJ-UHFFFAOYSA-N -1 3 338.323 2.725 20 30 EFEDHM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc([O-])cc(Cl)c1 ZINC001272998679 1265040632 /nfs/dbraw/zinc/04/06/32/1265040632.db2.gz FYJSVJDRVRCUMB-GOSISDBHSA-N -1 3 348.830 2.829 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001032913563 1265366063 /nfs/dbraw/zinc/36/60/63/1265366063.db2.gz QMONHWYZFMBUAB-GOSISDBHSA-N -1 3 334.419 2.590 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032913571 1265366490 /nfs/dbraw/zinc/36/64/90/1265366490.db2.gz QNVBNZUSRCRSPX-KRWDZBQOSA-N -1 3 335.407 2.610 20 30 EFEDHM C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066068722 1266542060 /nfs/dbraw/zinc/54/20/60/1266542060.db2.gz JVBBHAQZVWWIAA-MRXNPFEDSA-N -1 3 342.439 2.697 20 30 EFEDHM COc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cn1 ZINC000734080647 1266866447 /nfs/dbraw/zinc/86/64/47/1266866447.db2.gz YMKYFLUNPIWYPY-OAHLLOKOSA-N -1 3 346.346 2.600 20 30 EFEDHM C=CC[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccncc1 ZINC000734458669 1266984785 /nfs/dbraw/zinc/98/47/85/1266984785.db2.gz CPRYDKQSIDWBHC-MRXNPFEDSA-N -1 3 326.400 2.560 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](O)c2cccc(OC(C)C)c2)c1[O-] ZINC000734978951 1267178666 /nfs/dbraw/zinc/17/86/66/1267178666.db2.gz GIHBKVGEFRKRBF-UKZWNIFTSA-N -1 3 344.411 2.528 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001004520701 1267209036 /nfs/dbraw/zinc/20/90/36/1267209036.db2.gz MHDGADDGBLBSTJ-GOEBONIOSA-N -1 3 344.455 2.961 20 30 EFEDHM C[Si](C)(C)C#CCCNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000824866973 1278321228 /nfs/dbraw/zinc/32/12/28/1278321228.db2.gz VTPNNULQRSMSDJ-UHFFFAOYSA-N -1 3 348.425 2.807 20 30 EFEDHM N#Cc1cccnc1NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001066264150 1267586170 /nfs/dbraw/zinc/58/61/70/1267586170.db2.gz JNTGGHYPVHMAFU-AWEZNQCLSA-N -1 3 336.395 2.623 20 30 EFEDHM CN(C[C@H]1CCN1Cc1ccc(C#N)s1)C(=O)c1ccccc1[O-] ZINC001085489391 1267632223 /nfs/dbraw/zinc/63/22/23/1267632223.db2.gz XTXLJKQTSQNWNG-CYBMUJFWSA-N -1 3 341.436 2.672 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000739366861 1268679891 /nfs/dbraw/zinc/67/98/91/1268679891.db2.gz LSDCQJMOZMWBLD-RRQGHBQHSA-N -1 3 344.411 2.565 20 30 EFEDHM C#CCCCC(=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001078934554 1268711637 /nfs/dbraw/zinc/71/16/37/1268711637.db2.gz RIRCWCDSWCIYQB-INIZCTEOSA-N -1 3 342.439 2.649 20 30 EFEDHM COc1ccc2c(c1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCC2 ZINC000741839721 1269725251 /nfs/dbraw/zinc/72/52/51/1269725251.db2.gz OSORRZNLSZRKKE-UHFFFAOYSA-N -1 3 344.436 2.855 20 30 EFEDHM COc1cc(CNCc2cc(C#N)ccc2F)c([N+](=O)[O-])cc1[O-] ZINC000742381632 1270013266 /nfs/dbraw/zinc/01/32/66/1270013266.db2.gz AIKLVPPNDZQINT-UHFFFAOYSA-N -1 3 331.303 2.610 20 30 EFEDHM COc1ccccc1C(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743447315 1270582990 /nfs/dbraw/zinc/58/29/90/1270582990.db2.gz OSWHKJSIDYQBED-UHFFFAOYSA-N -1 3 332.425 2.581 20 30 EFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc2c(c1)CCO2 ZINC000743449524 1270584182 /nfs/dbraw/zinc/58/41/82/1270584182.db2.gz ZTEXMFJAEJYHAR-UHFFFAOYSA-N -1 3 344.436 2.508 20 30 EFEDHM 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N=C(Nc1ccccc1-c1nn[n-]n1)c1ccc2cc(O)ccc2c1 ZINC001171182352 1279648468 /nfs/dbraw/zinc/64/84/68/1279648468.db2.gz JZIDZORMMOUBJY-UHFFFAOYSA-N -1 3 330.351 2.763 20 30 EFEDHM N#Cc1ccc([O-])c(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000845886769 1279909140 /nfs/dbraw/zinc/90/91/40/1279909140.db2.gz HMEMUCXNMFMCHG-GHMZBOCLSA-N -1 3 328.290 2.950 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000846156873 1280040556 /nfs/dbraw/zinc/04/05/56/1280040556.db2.gz ZABFIVPKROAWGP-KGLIPLIRSA-N -1 3 345.443 2.608 20 30 EFEDHM C#C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Cl)cc1F ZINC000804414834 1280209992 /nfs/dbraw/zinc/20/99/92/1280209992.db2.gz RMQBTYSQHOFNNZ-CYBMUJFWSA-N -1 3 328.734 2.855 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000846542080 1280235557 /nfs/dbraw/zinc/23/55/57/1280235557.db2.gz UBSRMJOCIITPMV-SNVBAGLBSA-N -1 3 347.440 2.831 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000846542698 1280237367 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C[C@H]1CN([O-])C(=O)[C@H]1Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001171366154 1282083041 /nfs/dbraw/zinc/08/30/41/1282083041.db2.gz UQNDSVFONMPSRH-KTCWOMIQSA-N -1 3 346.202 2.910 20 30 EFEDHM Cn1ncc2c1nc(N=NCc1cccc(OC(C)(C)C)c1)[n-]c2=O ZINC000872352402 1287547875 /nfs/dbraw/zinc/54/78/75/1287547875.db2.gz QEVQKGKDWZPIEK-UHFFFAOYSA-N -1 3 340.387 2.692 20 30 EFEDHM CC(C)Oc1cc(Br)ccc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171368213 1282153322 /nfs/dbraw/zinc/15/33/22/1282153322.db2.gz AZZGTLRWFMEHCD-ZANVPECISA-N -1 3 343.221 2.884 20 30 EFEDHM CCOc1cc(F)c(Br)cc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171369217 1282181726 /nfs/dbraw/zinc/18/17/26/1282181726.db2.gz MDIKIWNOIBBRTE-MADCSZMMSA-N -1 3 347.184 2.635 20 30 EFEDHM CCOC(=O)c1ccc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c2ccccc12 ZINC001171369638 1282184796 /nfs/dbraw/zinc/18/47/96/1282184796.db2.gz XMFRDFCTSHDNOX-ZBEGNZNMSA-N -1 3 328.368 2.665 20 30 EFEDHM C#Cc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000809598235 1282333574 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N#Cc1ccc(-c2nnc(COC(=O)c3cc([O-])cc(C#N)c3)o2)cc1 ZINC000811187044 1284096001 /nfs/dbraw/zinc/09/60/01/1284096001.db2.gz IEEHBRNJDKNJFY-UHFFFAOYSA-N -1 3 346.302 2.543 20 30 EFEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCC[C@H](C)C1 ZINC000811186742 1284096407 /nfs/dbraw/zinc/09/64/07/1284096407.db2.gz WZGDKCUKJMAZJL-SUMWQHHRSA-N -1 3 344.411 2.704 20 30 EFEDHM CCOC(=O)[C@@H](Cc1ccccc1)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188328 1284099105 /nfs/dbraw/zinc/09/91/05/1284099105.db2.gz FYKZJPBMSVHYLD-QGZVFWFLSA-N -1 3 339.347 2.595 20 30 EFEDHM Cc1ncc(CO)c(/C=N\CCc2ccc(OC(F)F)cc2)c1[O-] ZINC000747713409 1284301454 /nfs/dbraw/zinc/30/14/54/1284301454.db2.gz WCOPATYDORESIT-UKWGHVSLSA-N -1 3 336.338 2.851 20 30 EFEDHM N#Cc1csc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000811514434 1284390107 /nfs/dbraw/zinc/39/01/07/1284390107.db2.gz KPHUIMOCTJVLKM-JTQLQIEISA-N -1 3 331.363 2.510 20 30 EFEDHM COc1cc(C=NOCCOC(C)C)cc(Br)c1[O-] ZINC000812240419 1284997111 /nfs/dbraw/zinc/99/71/11/1284997111.db2.gz PEPYCASAIPESST-UHFFFAOYSA-N -1 3 332.194 2.939 20 30 EFEDHM CO[C@](C)(COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1 ZINC000813191186 1285721245 /nfs/dbraw/zinc/72/12/45/1285721245.db2.gz RCSHERMHSWDOOP-GOSISDBHSA-N -1 3 332.400 2.567 20 30 EFEDHM CCOC(=O)C1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)CC1 ZINC000813217930 1285737083 /nfs/dbraw/zinc/73/70/83/1285737083.db2.gz KNVFYLMUSJYVKI-JTQLQIEISA-N -1 3 326.274 2.620 20 30 EFEDHM C=C(C)CCC(=O)N1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095266368 1286836206 /nfs/dbraw/zinc/83/62/06/1286836206.db2.gz NZTKLUHFIWKGAI-UHFFFAOYSA-N -1 3 348.403 2.702 20 30 EFEDHM CC(C)(C)OC(=O)N1CC2CC1(C(=O)Nc1ccc([O-])c(C#N)c1)C2 ZINC001179349750 1289108008 /nfs/dbraw/zinc/10/80/08/1289108008.db2.gz DAMMDOMLQASGHA-UHFFFAOYSA-N -1 3 343.383 2.602 20 30 EFEDHM [O-]c1c(C=NNC(=S)NC[C@@H]2CCCO2)ccc2ccccc21 ZINC000814728304 1286948357 /nfs/dbraw/zinc/94/83/57/1286948357.db2.gz RYNBISMDSZMDHK-AWEZNQCLSA-N -1 3 329.425 2.522 20 30 EFEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccc(N)c1 ZINC000814858551 1287100719 /nfs/dbraw/zinc/10/07/19/1287100719.db2.gz BIVFKQVNIWUPCC-UHFFFAOYSA-N -1 3 331.441 2.545 20 30 EFEDHM O=S(=O)(NN=Cc1ccc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000814875522 1287117864 /nfs/dbraw/zinc/11/78/64/1287117864.db2.gz LHWOFVIXSKBSMK-UHFFFAOYSA-N -1 3 344.367 2.997 20 30 EFEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cnnn2CC)cc1 ZINC000815908126 1287878184 /nfs/dbraw/zinc/87/81/84/1287878184.db2.gz TWQJCOULMREKEL-OAHLLOKOSA-N -1 3 339.399 2.602 20 30 EFEDHM Cc1ccc2snc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c2c1 ZINC000815915646 1287906566 /nfs/dbraw/zinc/90/65/66/1287906566.db2.gz VIOHJKNHLGPEIX-LBPRGKRZSA-N -1 3 336.376 2.961 20 30 EFEDHM CC(C)Oc1cc([N-]c2nc(C#N)c(C#N)nc2Cl)c(F)cn1 ZINC001176481695 1287998518 /nfs/dbraw/zinc/99/85/18/1287998518.db2.gz QAKCZVMSFZBBTF-UHFFFAOYSA-N -1 3 332.726 2.938 20 30 EFEDHM N#CCCN(CCN1CCOCC1)Cc1ccc2ccccc2c1[O-] ZINC000816477779 1288150899 /nfs/dbraw/zinc/15/08/99/1288150899.db2.gz KAMWQBWEHIKCAF-UHFFFAOYSA-N -1 3 339.439 2.593 20 30 EFEDHM C=CCN(Cc1ccc2ccccc2c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000816494195 1288161971 /nfs/dbraw/zinc/16/19/71/1288161971.db2.gz AVWDMXYLJSZKTQ-INIZCTEOSA-N -1 3 331.437 2.721 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1Oc1ccccc1 ZINC000816756738 1288264521 /nfs/dbraw/zinc/26/45/21/1288264521.db2.gz DCPYMIBNVOIHJB-OAHLLOKOSA-N -1 3 326.352 2.589 20 30 EFEDHM COc1cc(-c2ccccc2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757625 1288265413 /nfs/dbraw/zinc/26/54/13/1288265413.db2.gz XKVAMFHDOJXLQY-GFCCVEGCSA-N -1 3 346.408 2.534 20 30 EFEDHM CC(C)(C)c1ccc(OCCCC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000816757027 1288266387 /nfs/dbraw/zinc/26/63/87/1288266387.db2.gz KMMFCUFKPNAPDT-INIZCTEOSA-N -1 3 348.443 2.640 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000816756941 1288266490 /nfs/dbraw/zinc/26/64/90/1288266490.db2.gz IUHHBOMGMHLAOG-JTQLQIEISA-N -1 3 342.182 2.585 20 30 EFEDHM C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc([O-])c(C#N)c2)CC1=O ZINC001181268753 1289760040 /nfs/dbraw/zinc/76/00/40/1289760040.db2.gz NXWSVMKWUBGKGP-CJNGLKHVSA-N -1 3 349.390 2.812 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2C[C@@]2(F)Cl)c(C)c1[O-] ZINC001181665544 1289894292 /nfs/dbraw/zinc/89/42/92/1289894292.db2.gz KVQMHWNLQRNVQD-BONVTDFDSA-N -1 3 340.738 2.612 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2C[C@]2(F)Cl)c(C)c1[O-] ZINC001181665546 1289894521 /nfs/dbraw/zinc/89/45/21/1289894521.db2.gz KVQMHWNLQRNVQD-ZUZCIYMTSA-N -1 3 340.738 2.612 20 30 EFEDHM C[C@@H]1CN(Cc2cc(C#N)ccc2[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC001232673305 1312757235 /nfs/dbraw/zinc/75/72/35/1312757235.db2.gz DHBZBPBTILSGQP-CQSZACIVSA-N -1 3 345.443 2.953 20 30 EFEDHM N#Cc1ccc([O-])c(CN2CCN(c3ccc(F)c(F)c3)CC2)c1 ZINC001232673589 1312757303 /nfs/dbraw/zinc/75/73/03/1312757303.db2.gz JPRWPBYBZNTMSA-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM CN(CC1CN(Cc2cc(C#N)ccc2[O-])C1)C(=O)OC(C)(C)C ZINC001232675287 1312759174 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Cn1cnc(C#N)c1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187044645 1291081890 /nfs/dbraw/zinc/08/18/90/1291081890.db2.gz XSHUJURQCICXPN-UHFFFAOYSA-N -1 3 345.211 2.540 20 30 EFEDHM CCOCCOc1ccc(C(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001187158208 1291106580 /nfs/dbraw/zinc/10/65/80/1291106580.db2.gz CVDHZKHKQDTOCU-UHFFFAOYSA-N -1 3 343.383 2.541 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccccc2C(=O)N2CCCC2)ccc1[O-] ZINC001187132157 1291109393 /nfs/dbraw/zinc/10/93/93/1291109393.db2.gz VGPFFOLBADRAIG-UHFFFAOYSA-N -1 3 335.363 2.752 20 30 EFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccccc1 ZINC000126387687 1291152746 /nfs/dbraw/zinc/15/27/46/1291152746.db2.gz IYSBTHHCCFFRGD-OAHLLOKOSA-N -1 3 345.362 2.537 20 30 EFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1[n-]nnc1C(F)(F)F ZINC001187759097 1291229961 /nfs/dbraw/zinc/22/99/61/1291229961.db2.gz SBJYBZPENPSKIL-UHFFFAOYSA-N -1 3 326.282 2.504 20 30 EFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1nn[n-]c1C(F)(F)F ZINC001187759097 1291229968 /nfs/dbraw/zinc/22/99/68/1291229968.db2.gz SBJYBZPENPSKIL-UHFFFAOYSA-N -1 3 326.282 2.504 20 30 EFEDHM C=CCOCc1nn(C)c2c1CN(Cc1cccc([O-])c1F)CC2 ZINC001233051352 1312843417 /nfs/dbraw/zinc/84/34/17/1312843417.db2.gz QMAUXXDNIYVMDL-UHFFFAOYSA-N -1 3 331.391 2.526 20 30 EFEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(C(=O)OC)nc1 ZINC001187993088 1291281085 /nfs/dbraw/zinc/28/10/85/1291281085.db2.gz ICNAGBCTRALMNZ-UHFFFAOYSA-N -1 3 328.434 2.970 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccoc2)c(Br)c1 ZINC001188569461 1291411488 /nfs/dbraw/zinc/41/14/88/1291411488.db2.gz MJTZIJHKLDZEOI-UHFFFAOYSA-N -1 3 327.159 2.715 20 30 EFEDHM C=C(C)COC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795781521 1291414402 /nfs/dbraw/zinc/41/44/02/1291414402.db2.gz HJWMSFFURNLZIQ-UHFFFAOYSA-N -1 3 337.319 2.810 20 30 EFEDHM O=C(Nc1ccccc1-c1cccs1)N[C@@H]1CCCN([O-])C1=O ZINC000878105102 1291498539 /nfs/dbraw/zinc/49/85/39/1291498539.db2.gz WHIGSANAFPTRTQ-CYBMUJFWSA-N -1 3 331.397 2.917 20 30 EFEDHM N#Cc1cc(NS(=O)(=O)CCc2ccc(Cl)cc2)ccc1[O-] ZINC001189108670 1291571465 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O=C(Nc1ccccc1CCC(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000878912426 1291860922 /nfs/dbraw/zinc/86/09/22/1291860922.db2.gz YFBJZTQQWYJLFA-LBPRGKRZSA-N -1 3 345.321 2.683 20 30 EFEDHM N#C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001189843260 1291904436 /nfs/dbraw/zinc/90/44/36/1291904436.db2.gz USVBKUKVTATBPI-HNNXBMFYSA-N -1 3 340.326 2.788 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)o1 ZINC001190002233 1291963901 /nfs/dbraw/zinc/96/39/01/1291963901.db2.gz HRNVJQIXGCUHMB-UHFFFAOYSA-N -1 3 348.277 2.788 20 30 EFEDHM O=C(Nc1cc(Cl)c(F)c(Cl)c1)N[C@@H]1CCCN([O-])C1=O ZINC000879375291 1292093919 /nfs/dbraw/zinc/09/39/19/1292093919.db2.gz LAEBZYCLNBKHGD-SECBINFHSA-N -1 3 336.150 2.634 20 30 EFEDHM C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233334120 1312905860 /nfs/dbraw/zinc/90/58/60/1312905860.db2.gz VKUOJGYJUIJGPV-UGSOOPFHSA-N -1 3 339.382 2.997 20 30 EFEDHM C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233334119 1312906443 /nfs/dbraw/zinc/90/64/43/1312906443.db2.gz VKUOJGYJUIJGPV-SCLBCKFNSA-N -1 3 339.382 2.997 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ncc2F)c1 ZINC001190616077 1292227453 /nfs/dbraw/zinc/22/74/53/1292227453.db2.gz JKXUWGANYLXWNR-UHFFFAOYSA-N -1 3 329.715 2.686 20 30 EFEDHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190616448 1292228903 /nfs/dbraw/zinc/22/89/03/1292228903.db2.gz QEYGZSMIHYHJGI-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM N#Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001190597609 1292241237 /nfs/dbraw/zinc/24/12/37/1292241237.db2.gz ZLGZWMUSXRQJEJ-UHFFFAOYSA-N -1 3 338.754 2.790 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(F)ccc2Cl)c1 ZINC001190661293 1292249232 /nfs/dbraw/zinc/24/92/32/1292249232.db2.gz RQSMHSYLHWNURK-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM C[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190661308 1292249699 /nfs/dbraw/zinc/24/96/99/1292249699.db2.gz SBGQBQURASSCEN-LLVKDONJSA-N -1 3 336.363 2.746 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1F)c1ccccc1 ZINC001190660720 1292250170 /nfs/dbraw/zinc/25/01/70/1292250170.db2.gz DGXZVBGUEZSKLX-UHFFFAOYSA-N -1 3 332.400 2.953 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c1 ZINC001190666577 1292253473 /nfs/dbraw/zinc/25/34/73/1292253473.db2.gz YYEVECYITPKGLX-UHFFFAOYSA-N -1 3 330.340 2.922 20 30 EFEDHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190650952 1292264818 /nfs/dbraw/zinc/26/48/18/1292264818.db2.gz PDRZTMWDGJPIOV-UHFFFAOYSA-N -1 3 333.388 2.560 20 30 EFEDHM CC1([N-]S(=O)(=O)c2cc(C#N)ccc2F)CCC(F)(F)CC1 ZINC001190676956 1292282402 /nfs/dbraw/zinc/28/24/02/1292282402.db2.gz LVBUBKIBRDGLBJ-UHFFFAOYSA-N -1 3 332.347 2.944 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CSc3ccccc3C2)c1 ZINC001190676859 1292282578 /nfs/dbraw/zinc/28/25/78/1292282578.db2.gz JSCFLFFYGGTIDM-ZDUSSCGKSA-N -1 3 348.424 2.693 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC001190805974 1292322683 /nfs/dbraw/zinc/32/26/83/1292322683.db2.gz ZOZDOQPWKYEBBB-UHFFFAOYSA-N -1 3 343.470 2.719 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)OC)CC1 ZINC001190806453 1292324144 /nfs/dbraw/zinc/32/41/44/1292324144.db2.gz BAWWZGAMCZNFKL-UHFFFAOYSA-N -1 3 329.805 2.977 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cc(F)c(C(=O)OC)cc2F)CC1 ZINC001190815297 1292324707 /nfs/dbraw/zinc/32/47/07/1292324707.db2.gz JSVTXMSPZPYZKB-UHFFFAOYSA-N -1 3 331.340 2.602 20 30 EFEDHM CCOC[C@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2c1cnn2CC ZINC001233384361 1312918997 /nfs/dbraw/zinc/91/89/97/1312918997.db2.gz SISCKIOTGMAOSX-MRXNPFEDSA-N -1 3 340.427 2.616 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2CC)CC1 ZINC001190814361 1292346280 /nfs/dbraw/zinc/34/62/80/1292346280.db2.gz ASPASLHOAVDVLZ-UHFFFAOYSA-N -1 3 343.470 2.503 20 30 EFEDHM CC(C)(C)OC(=O)NC[C@]1(F)CCN(Cc2ccc(C#N)cc2[O-])C1 ZINC001233388168 1312921290 /nfs/dbraw/zinc/92/12/90/1312921290.db2.gz OSOHBQNFMZANQB-GOSISDBHSA-N -1 3 349.406 2.703 20 30 EFEDHM N#Cc1ccc(CN2CC[C@@H](n3cc(Br)cn3)C2)c([O-])c1 ZINC001233388283 1312921437 /nfs/dbraw/zinc/92/14/37/1312921437.db2.gz TUKSAVLPJVLWJN-CQSZACIVSA-N -1 3 347.216 2.670 20 30 EFEDHM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)n1 ZINC001190937337 1292378072 /nfs/dbraw/zinc/37/80/72/1292378072.db2.gz HUGXNYRNVVHSRE-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233395259 1312923318 /nfs/dbraw/zinc/92/33/18/1312923318.db2.gz RDHWCAPJYBFVOL-ACJLOTCBSA-N -1 3 339.382 2.997 20 30 EFEDHM N#Cc1ccc(N2CCCN(Cc3c(F)ccc([O-])c3F)CC2)nc1 ZINC001233395945 1312924283 /nfs/dbraw/zinc/92/42/83/1312924283.db2.gz AQKYVPRHJDFQIZ-UHFFFAOYSA-N -1 3 344.365 2.649 20 30 EFEDHM CC(=O)c1cccc([O-])c1NC(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC001191186856 1292501080 /nfs/dbraw/zinc/50/10/80/1292501080.db2.gz DJNDZZYUQYCSBZ-UHFFFAOYSA-N -1 3 337.375 2.970 20 30 EFEDHM O=C(Nc1cc(Cl)cc(Cl)c1F)N[C@H]1CCCN([O-])C1=O ZINC000880890148 1292672081 /nfs/dbraw/zinc/67/20/81/1292672081.db2.gz DFGZQHAAYGSNNP-QMMMGPOBSA-N -1 3 336.150 2.634 20 30 EFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)cc1F ZINC000903618667 1312951923 /nfs/dbraw/zinc/95/19/23/1312951923.db2.gz ONCUMVVTWWDHLK-CQSZACIVSA-N -1 3 332.372 2.580 20 30 EFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)cc1F ZINC000903619581 1312953491 /nfs/dbraw/zinc/95/34/91/1312953491.db2.gz HROOPNUGXKRHMH-ZUZCIYMTSA-N -1 3 344.383 2.724 20 30 EFEDHM Cc1ccc(C#N)c(NCCC[C@H](C)NC(=O)c2ccccc2[O-])n1 ZINC001114842478 1292837349 /nfs/dbraw/zinc/83/73/49/1292837349.db2.gz UHWYOCKJUBORSM-ZDUSSCGKSA-N -1 3 338.411 2.978 20 30 EFEDHM Cc1cc(NC(=O)OC(C)(C)C)ccc1[N-]S(=O)(=O)CC#N ZINC001192985338 1293117238 /nfs/dbraw/zinc/11/72/38/1293117238.db2.gz AGBVWNKAHZFUEC-UHFFFAOYSA-N -1 3 325.390 2.607 20 30 EFEDHM COc1cc(C(=O)N([O-])C(=N)c2ccccc2N)c(F)c(F)c1F ZINC001193053329 1293161077 /nfs/dbraw/zinc/16/10/77/1293161077.db2.gz BUTWTBXSQVKTQF-UHFFFAOYSA-N -1 3 339.273 2.552 20 30 EFEDHM Cc1cc(NC(=O)OC(C)(C)C)ccc1[N-]S(=O)(=O)[C@@H](C)C#N ZINC001193157843 1293189125 /nfs/dbraw/zinc/18/91/25/1293189125.db2.gz IULIYHHQAWEZBF-NSHDSACASA-N -1 3 339.417 2.996 20 30 EFEDHM COC(=O)c1cccc(-c2cccc([N-]S(=O)(=O)[C@@H](C)C#N)c2)c1 ZINC001193158937 1293189134 /nfs/dbraw/zinc/18/91/34/1293189134.db2.gz WPQMKTOIQPPBNQ-LBPRGKRZSA-N -1 3 344.392 2.794 20 30 EFEDHM N#Cc1cccc2[nH]nc(NC(=O)c3cc([O-])c(O)c(Cl)c3)c21 ZINC001193606171 1293390105 /nfs/dbraw/zinc/39/01/05/1293390105.db2.gz VLEWHVCWHKTPTQ-UHFFFAOYSA-N -1 3 328.715 2.751 20 30 EFEDHM C#C[C@H](NCc1cc(Br)cc(F)c1[O-])[C@@H]1CCCO1 ZINC000883091217 1293458956 /nfs/dbraw/zinc/45/89/56/1293458956.db2.gz HIAWMTDSMCKVFS-STQMWFEESA-N -1 3 328.181 2.564 20 30 EFEDHM N#CCc1cccc([N-]S(=O)(=O)Cc2noc3ccccc32)c1 ZINC001194099895 1293532421 /nfs/dbraw/zinc/53/24/21/1293532421.db2.gz VUWOPODHAABRPL-UHFFFAOYSA-N -1 3 327.365 2.836 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCN(Cc3c(F)cc([O-])cc3F)C2)C1=O ZINC001273672104 1293545859 /nfs/dbraw/zinc/54/58/59/1293545859.db2.gz YKYGOWZMBNINLT-SFHVURJKSA-N -1 3 336.382 2.671 20 30 EFEDHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC001203764160 1313009629 /nfs/dbraw/zinc/00/96/29/1313009629.db2.gz ZNZZMRWENCBXNS-HNNXBMFYSA-N -1 3 329.400 2.574 20 30 EFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2Cc1sccc1C(=O)[O-] ZINC001273679196 1293664268 /nfs/dbraw/zinc/66/42/68/1293664268.db2.gz IEICTQXYMMNPBC-GOSISDBHSA-N -1 3 348.468 2.979 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCN(Cc3cc(F)c([O-])cc3F)C2)C1=O ZINC001273678972 1293668986 /nfs/dbraw/zinc/66/89/86/1293668986.db2.gz FATPPTYTTOZKCJ-GOSISDBHSA-N -1 3 336.382 2.671 20 30 EFEDHM C/C(=C/C(=O)C(F)(F)F)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC001195326056 1293878136 /nfs/dbraw/zinc/87/81/36/1293878136.db2.gz IMANCWOAXGFEQT-VURMDHGXSA-N -1 3 341.738 2.962 20 30 EFEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000800146768 1293931820 /nfs/dbraw/zinc/93/18/20/1293931820.db2.gz ANAOINAPBOXNSO-JTQLQIEISA-N -1 3 332.347 2.801 20 30 EFEDHM COC(=O)c1cc([O-])c(F)cc1NC(=S)Nc1ccccc1C#N ZINC001196325357 1294197894 /nfs/dbraw/zinc/19/78/94/1294197894.db2.gz FHXPMKLJPRHARW-UHFFFAOYSA-N -1 3 345.355 2.998 20 30 EFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1c[nH]c(Cl)cc1=O ZINC001196650649 1294319836 /nfs/dbraw/zinc/31/98/36/1294319836.db2.gz UKGUNPBECMSZQN-UHFFFAOYSA-N -1 3 344.179 2.766 20 30 EFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC001196705897 1294337102 /nfs/dbraw/zinc/33/71/02/1294337102.db2.gz VQSQPLCWXJDHSI-UHFFFAOYSA-N -1 3 326.727 2.832 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000775747830 1294410857 /nfs/dbraw/zinc/41/08/57/1294410857.db2.gz YHBGAMSYFDCUHO-LLVKDONJSA-N -1 3 329.393 2.635 20 30 EFEDHM CCc1cc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)ccc1C#N ZINC001197292843 1294503163 /nfs/dbraw/zinc/50/31/63/1294503163.db2.gz VJQKUCKZEPXMJE-UHFFFAOYSA-N -1 3 334.335 2.727 20 30 EFEDHM N#Cc1ncc(C(F)(F)F)cc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000413241006 1294542969 /nfs/dbraw/zinc/54/29/69/1294542969.db2.gz XPRCWSHARVRPRV-UHFFFAOYSA-N -1 3 336.199 2.721 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccnc(OCC(F)F)c1 ZINC000136597566 1294676827 /nfs/dbraw/zinc/67/68/27/1294676827.db2.gz MLTJNMUJJUNRER-ZDUSSCGKSA-N -1 3 345.305 2.687 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccnc(OCC(F)F)c1 ZINC000136597612 1294676866 /nfs/dbraw/zinc/67/68/66/1294676866.db2.gz MLTJNMUJJUNRER-CYBMUJFWSA-N -1 3 345.305 2.687 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccn2)cc1C(F)(F)F ZINC001197825066 1294755165 /nfs/dbraw/zinc/75/51/65/1294755165.db2.gz OBBLDEOKGVQHTN-UHFFFAOYSA-N -1 3 341.314 2.914 20 30 EFEDHM C=CCN[C@H](CNC(=O)c1ccccc1[O-])c1ccccc1OC ZINC001198554492 1295129605 /nfs/dbraw/zinc/12/96/05/1295129605.db2.gz OTLROXIFLVIRGS-MRXNPFEDSA-N -1 3 326.396 2.648 20 30 EFEDHM Cc1nn(Cc2ccccn2)c(C)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001198593541 1295132049 /nfs/dbraw/zinc/13/20/49/1295132049.db2.gz OFUPKUKFHNMDEG-UHFFFAOYSA-N -1 3 347.378 2.773 20 30 EFEDHM C=C[C@@H]1O[C@H](Oc2c([O-])cc(Cl)cc2F)[C@H]2OC(C)(C)O[C@@H]12 ZINC001234443533 1313129505 /nfs/dbraw/zinc/12/95/05/1313129505.db2.gz IIGILDCEDSFEEM-DOERSZECSA-N -1 3 330.739 2.995 20 30 EFEDHM N#Cc1cccc2nc(=O)[n-]c(OC[C@@H]3CCc4ccccc4O3)c12 ZINC001234511583 1313142042 /nfs/dbraw/zinc/14/20/42/1313142042.db2.gz REXKWOFHJVNTII-AWEZNQCLSA-N -1 3 333.347 2.980 20 30 EFEDHM COC(=O)C[C@H]1CCC[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234513505 1313142577 /nfs/dbraw/zinc/14/25/77/1313142577.db2.gz MOKDQNKDUMUVAU-WCQYABFASA-N -1 3 341.367 2.708 20 30 EFEDHM COC(=O)CC1CCC(Oc2[n-]c(=O)nc3cccc(C#N)c32)CC1 ZINC001234514042 1313142611 /nfs/dbraw/zinc/14/26/11/1313142611.db2.gz ROFBQCCJWJTTMV-UHFFFAOYSA-N -1 3 341.367 2.708 20 30 EFEDHM COC(=O)C[C@@H]1CCC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234513506 1313142653 /nfs/dbraw/zinc/14/26/53/1313142653.db2.gz MOKDQNKDUMUVAU-YPMHNXCESA-N -1 3 341.367 2.708 20 30 EFEDHM COC(=O)C[C@H]1CCC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234513503 1313142798 /nfs/dbraw/zinc/14/27/98/1313142798.db2.gz MOKDQNKDUMUVAU-AAEUAGOBSA-N -1 3 341.367 2.708 20 30 EFEDHM N#Cc1cccc2nc(=O)[n-]c(OC[C@H]3CC[C@@]4(CCCCO4)O3)c12 ZINC001234514503 1313142921 /nfs/dbraw/zinc/14/29/21/1313142921.db2.gz XAFOJDHFSKWVCK-FZKQIMNGSA-N -1 3 341.367 2.662 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C#N)c2)c(C)c1 ZINC001198939820 1295345535 /nfs/dbraw/zinc/34/55/35/1295345535.db2.gz KJMFYWQNXYUNQZ-UHFFFAOYSA-N -1 3 332.381 2.685 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2ncc(C#N)cc2Cl)c(C)c1 ZINC001198904924 1295347491 /nfs/dbraw/zinc/34/74/91/1295347491.db2.gz FEAGEVMSADXDGU-UHFFFAOYSA-N -1 3 337.788 2.725 20 30 EFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccncc1N1CCCCC1 ZINC001199362812 1295497978 /nfs/dbraw/zinc/49/79/78/1295497978.db2.gz ARTRWPILGZCFPN-UHFFFAOYSA-N -1 3 339.399 2.511 20 30 EFEDHM C#CCN1CC[C@]2(CCCN(Cc3c(F)ccc([O-])c3F)CC2)C1=O ZINC001274168004 1295535742 /nfs/dbraw/zinc/53/57/42/1295535742.db2.gz MEDAHNRXAHRCGF-LJQANCHMSA-N -1 3 348.393 2.508 20 30 EFEDHM C=C1CC(C)(C(=O)N2C[C@H](C)[C@H](CNC(=O)c3ccccc3[O-])C2)C1 ZINC000959587744 1295572105 /nfs/dbraw/zinc/57/21/05/1295572105.db2.gz YPMWBOSDHLUCAR-LSDHHAIUSA-N -1 3 342.439 2.573 20 30 EFEDHM C=CCSc1ncccc1C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC001199736276 1295741400 /nfs/dbraw/zinc/74/14/00/1295741400.db2.gz LJRKORHVXVLFSQ-UHFFFAOYSA-N -1 3 332.385 2.512 20 30 EFEDHM C=CCSc1ncccc1C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC001199736276 1295741406 /nfs/dbraw/zinc/74/14/06/1295741406.db2.gz LJRKORHVXVLFSQ-UHFFFAOYSA-N -1 3 332.385 2.512 20 30 EFEDHM C=CCSc1ncccc1C(=O)[N-]c1c(C)noc1C(=O)OC ZINC001199736329 1295741633 /nfs/dbraw/zinc/74/16/33/1295741633.db2.gz MLTNHCVRTFQVPX-UHFFFAOYSA-N -1 3 333.369 2.695 20 30 EFEDHM C#C[C@@H](CC)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748590 1313188625 /nfs/dbraw/zinc/18/86/25/1313188625.db2.gz KYBNABAEVRNUMC-JTQLQIEISA-N -1 3 326.304 2.854 20 30 EFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@H]2CC[C@H](C#N)C2)s1 ZINC001412262055 1296518333 /nfs/dbraw/zinc/51/83/33/1296518333.db2.gz JPYAVLZLMRNNOJ-VHSXEESVSA-N -1 3 336.417 2.912 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2Cl)cc1C#N ZINC001201295268 1296708234 /nfs/dbraw/zinc/70/82/34/1296708234.db2.gz PENOCLLUBALWOU-UHFFFAOYSA-N -1 3 343.742 2.994 20 30 EFEDHM COc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201295492 1296709404 /nfs/dbraw/zinc/70/94/04/1296709404.db2.gz STTHARDGSMREOC-UHFFFAOYSA-N -1 3 337.788 2.725 20 30 EFEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1F ZINC001201323026 1296726945 /nfs/dbraw/zinc/72/69/45/1296726945.db2.gz XCKZKIRVYNLACS-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N/CCOC[C@H]1CCCO1 ZINC000114990774 1313332944 /nfs/dbraw/zinc/33/29/44/1313332944.db2.gz KTFPGZDBSJPAOS-BPKVKKHESA-N -1 3 328.206 2.769 20 30 EFEDHM C#CCCCC[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201898878 1297138360 /nfs/dbraw/zinc/13/83/60/1297138360.db2.gz KYWZRYGMEZITGE-UHFFFAOYSA-N -1 3 344.436 2.742 20 30 EFEDHM CC[C@](C)(C#N)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201902290 1297142193 /nfs/dbraw/zinc/14/21/93/1297142193.db2.gz KZRMFPSEFIBYBS-QGZVFWFLSA-N -1 3 345.424 2.631 20 30 EFEDHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1F ZINC000776274096 1297338382 /nfs/dbraw/zinc/33/83/82/1297338382.db2.gz MDIVOQPGIYLHQX-LLVKDONJSA-N -1 3 342.326 2.895 20 30 EFEDHM N#C/N=C1\SCCN1Cc1ccc(-c2ccc([O-])cc2F)nc1 ZINC001206037446 1313395317 /nfs/dbraw/zinc/39/53/17/1313395317.db2.gz IENJERNSLYMDIC-SILNSSARSA-N -1 3 328.372 2.979 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000961055924 1298079949 /nfs/dbraw/zinc/07/99/49/1298079949.db2.gz KVGQAEMUQYBIER-GASCZTMLSA-N -1 3 342.439 2.525 20 30 EFEDHM C=C(C)CCC(=O)NC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110600701 1298169587 /nfs/dbraw/zinc/16/95/87/1298169587.db2.gz PYWUDJZYRVLYNA-UHFFFAOYSA-N -1 3 348.403 2.527 20 30 EFEDHM C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1ccc(F)c([O-])c1 ZINC001236704747 1313514446 /nfs/dbraw/zinc/51/44/46/1313514446.db2.gz BCDRRADSKMGKRJ-MRXNPFEDSA-N -1 3 331.391 2.567 20 30 EFEDHM N#Cc1ccc(N2CCCN(Cc3ccc(F)c([O-])c3)CC2)nc1 ZINC001236706337 1313515267 /nfs/dbraw/zinc/51/52/67/1313515267.db2.gz WCYBWCFURDAOKE-UHFFFAOYSA-N -1 3 326.375 2.510 20 30 EFEDHM N#Cc1ccc(N2CCN(Cc3ccc(F)c([O-])c3)CC2)c(F)c1 ZINC001236711776 1313515611 /nfs/dbraw/zinc/51/56/11/1313515611.db2.gz VRDIOPUGUQCYTP-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM O=C1C=C2CN(Cc3ccc(Br)c([O-])c3)CC[C@H]2S1 ZINC001236683631 1313508804 /nfs/dbraw/zinc/50/88/04/1313508804.db2.gz JTKBFDVNHDGDJN-CYBMUJFWSA-N -1 3 340.242 2.929 20 30 EFEDHM C=CCOCc1ncn2c1CN(Cc1cc([O-])cc(F)c1)CCC2 ZINC001237277122 1313616227 /nfs/dbraw/zinc/61/62/27/1313616227.db2.gz BCRIHRZYDBRYQB-UHFFFAOYSA-N -1 3 331.391 2.836 20 30 EFEDHM N#CCCCOc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000110057755 1299360860 /nfs/dbraw/zinc/36/08/60/1299360860.db2.gz KFFLBFXQWGJXKG-UHFFFAOYSA-N -1 3 348.362 2.858 20 30 EFEDHM CCN(Cc1ccccc1)c1ccc(C=NN2CC(=O)[N-]C2=O)cc1 ZINC000254386768 1299380231 /nfs/dbraw/zinc/38/02/31/1299380231.db2.gz XEXPYJLNAMBMBY-UHFFFAOYSA-N -1 3 336.395 2.599 20 30 EFEDHM C[C@@H]1CCN(Cc2ccc(CC#N)cc2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756338 1299869727 /nfs/dbraw/zinc/86/97/27/1299869727.db2.gz FFDPCDPEQWYSBU-DOMZBBRYSA-N -1 3 339.361 2.642 20 30 EFEDHM COC([O-])=NC(=S)N(c1ccccc1N)C1=CC[C@@H](C#N)CC1 ZINC001212868326 1300495359 /nfs/dbraw/zinc/49/53/59/1300495359.db2.gz NJWQFEQSNZKHIO-LLVKDONJSA-N -1 3 330.413 2.924 20 30 EFEDHM CC(C)C[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Cl)cc1 ZINC000854648803 1300650833 /nfs/dbraw/zinc/65/08/33/1300650833.db2.gz KFBQTKIFVJBDNL-HUUCEWRRSA-N -1 3 338.835 2.966 20 30 EFEDHM C=CCCO[N-]C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000856028731 1301210711 /nfs/dbraw/zinc/21/07/11/1301210711.db2.gz NACDDQHKEVFDDA-UHFFFAOYSA-N -1 3 347.440 2.832 20 30 EFEDHM CCCCCCC[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000859246392 1301407326 /nfs/dbraw/zinc/40/73/26/1301407326.db2.gz COSPNYIXEUOCSR-UHFFFAOYSA-N -1 3 331.409 2.861 20 30 EFEDHM COCCCn1nccc1C=NNc1nc2ccccc2[n-]c1=S ZINC000863125166 1302538222 /nfs/dbraw/zinc/53/82/22/1302538222.db2.gz OMYFKZQUYVUQJA-UHFFFAOYSA-N -1 3 342.428 2.971 20 30 EFEDHM COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(Cl)n1 ZINC000794593742 1302815227 /nfs/dbraw/zinc/81/52/27/1302815227.db2.gz YRIQXDQBKBLCKZ-UHFFFAOYSA-N -1 3 337.788 2.610 20 30 EFEDHM C=C(Cl)C[C@H](NCc1cc2c(cc1OC)C[C@@H](C)O2)C(=O)[O-] ZINC000864519805 1302958121 /nfs/dbraw/zinc/95/81/21/1302958121.db2.gz ZQWPZHHKVWFEPU-MFKMUULPSA-N -1 3 325.792 2.704 20 30 EFEDHM C[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000965267816 1303095001 /nfs/dbraw/zinc/09/50/01/1303095001.db2.gz LXVFUQXADYPOFV-BEFAXECRSA-N -1 3 349.434 2.904 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)cc1 ZINC000794868223 1303400446 /nfs/dbraw/zinc/40/04/46/1303400446.db2.gz UESVXESNAHBOMY-UHFFFAOYSA-N -1 3 345.376 2.537 20 30 EFEDHM Cc1nc(NC(=O)N[C@@H]2CCCN([O-])C2=O)sc1-c1ccccc1 ZINC000866108130 1303528175 /nfs/dbraw/zinc/52/81/75/1303528175.db2.gz MNFXYNXCRUTCTL-GFCCVEGCSA-N -1 3 346.412 2.620 20 30 EFEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1cnc(C(C)(C)C)s1 ZINC000123131658 1305328490 /nfs/dbraw/zinc/32/84/90/1305328490.db2.gz MQOZTLDRGDSFDF-BTDICHCPSA-N -1 3 342.424 2.779 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC(N(CC)C(=O)c2ccccc2[O-])C1 ZINC000967796583 1305470152 /nfs/dbraw/zinc/47/01/52/1305470152.db2.gz UKZLVKZJPMNRMQ-UHFFFAOYSA-N -1 3 330.428 2.667 20 30 EFEDHM CC1(Nc2ccc(C#N)nc2)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001067245329 1314073240 /nfs/dbraw/zinc/07/32/40/1314073240.db2.gz GRBIPSLFXDHVCM-UHFFFAOYSA-N -1 3 336.395 2.766 20 30 EFEDHM COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1cc([O-])cc(F)c1 ZINC001241261305 1314106160 /nfs/dbraw/zinc/10/61/60/1314106160.db2.gz JJRJHWPGNMEDGK-CYBMUJFWSA-N -1 3 337.310 2.922 20 30 EFEDHM N#Cc1cccc(CN2CCC[C@@H](NC(=O)c3ccccc3[O-])C2)c1 ZINC001006778378 1307103422 /nfs/dbraw/zinc/10/34/22/1307103422.db2.gz POAQIFHNFQFNSX-QGZVFWFLSA-N -1 3 335.407 2.658 20 30 EFEDHM CC#CCCCC(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066870736 1307407969 /nfs/dbraw/zinc/40/79/69/1307407969.db2.gz LKVPPWZAYZWKCO-UHFFFAOYSA-N -1 3 330.428 2.506 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001007890394 1307685659 /nfs/dbraw/zinc/68/56/59/1307685659.db2.gz AGNRGYVIYWTPQR-MRXNPFEDSA-N -1 3 344.455 2.961 20 30 EFEDHM Cc1ccc(C(=O)NCCC(=O)Nc2cc(C)cc(C#N)c2)c([O-])c1 ZINC001413099914 1307826677 /nfs/dbraw/zinc/82/66/77/1307826677.db2.gz DTECICRKJVUIOV-UHFFFAOYSA-N -1 3 337.379 2.639 20 30 EFEDHM Cc1ccc(C#N)c(N[C@H]2C[C@@H](CNC(=O)c3ccccc3[O-])C2)n1 ZINC001046228305 1308423706 /nfs/dbraw/zinc/42/37/06/1308423706.db2.gz AEYICIQQUIVPEE-OTVXOJSOSA-N -1 3 336.395 2.588 20 30 EFEDHM N#Cc1ccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000800796282 1308435937 /nfs/dbraw/zinc/43/59/37/1308435937.db2.gz MNCVRCCADBFFEP-GDNBJRDFSA-N -1 3 337.766 2.612 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001010557212 1309372016 /nfs/dbraw/zinc/37/20/16/1309372016.db2.gz RZLIKBZUVSVUFJ-UHFFFAOYSA-N -1 3 342.439 2.669 20 30 EFEDHM Cc1cc(C#N)ccc1Nc1ccc(S(=O)(=O)N(C)C)cc1[O-] ZINC001210376277 1314322990 /nfs/dbraw/zinc/32/29/90/1314322990.db2.gz PAYWKWZLFDLNLC-UHFFFAOYSA-N -1 3 331.397 2.566 20 30 EFEDHM C=C(C)CCC(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001052722246 1314325326 /nfs/dbraw/zinc/32/53/26/1314325326.db2.gz JJPRTSYKLPFCNP-HUUCEWRRSA-N -1 3 330.428 2.573 20 30 EFEDHM O=C(CCCNC(=O)C1CC1)N([O-])Cc1cccc2ccccc21 ZINC000901370893 1310253194 /nfs/dbraw/zinc/25/31/94/1310253194.db2.gz NJTTYEIOWKWTLC-UHFFFAOYSA-N -1 3 326.396 2.864 20 30 EFEDHM O=C(CCc1nc(-c2ccoc2)no1)N([O-])Cc1ccc(F)cc1 ZINC000901371463 1310253698 /nfs/dbraw/zinc/25/36/98/1310253698.db2.gz CUZKSNBHBVYISP-UHFFFAOYSA-N -1 3 331.303 2.819 20 30 EFEDHM CC(=O)N(CCc1ccccc1)CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372300 1310255739 /nfs/dbraw/zinc/25/57/39/1310255739.db2.gz BVHZJQDKDVEKGA-UHFFFAOYSA-N -1 3 344.386 2.635 20 30 EFEDHM COc1ccc2c(c1)OC[C@H](C(=O)N([O-])Cc1ccc(F)cc1)C2 ZINC000901374920 1310263758 /nfs/dbraw/zinc/26/37/58/1310263758.db2.gz WUTGULQXMQQJRX-CQSZACIVSA-N -1 3 331.343 2.803 20 30 EFEDHM Cc1c(CC(=O)N([O-])Cc2ccc(F)cc2)nnn1-c1ccccc1 ZINC000901374587 1310264150 /nfs/dbraw/zinc/26/41/50/1310264150.db2.gz MCRKQSQBEIRLLP-UHFFFAOYSA-N -1 3 340.358 2.675 20 30 EFEDHM COc1cc(CC(=O)N([O-])Cc2ccc(F)cc2)cc(OC)c1OC ZINC000901379419 1310276040 /nfs/dbraw/zinc/27/60/40/1310276040.db2.gz XVBRGNIWSNCHPL-UHFFFAOYSA-N -1 3 349.358 2.812 20 30 EFEDHM C[C@H](C#N)OCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000801655325 1310674370 /nfs/dbraw/zinc/67/43/70/1310674370.db2.gz WGIXMBCHTFDSTC-LLVKDONJSA-N -1 3 341.396 2.542 20 30 EFEDHM C=C1CCC(C(=O)N2CC[C@@H](NC(=O)c3ccccc3[O-])[C@H]2C)CC1 ZINC001012042824 1310696366 /nfs/dbraw/zinc/69/63/66/1310696366.db2.gz PQDCJWBMZWDSHP-RHSMWYFYSA-N -1 3 342.439 2.858 20 30 EFEDHM C=CCOc1ccc(CN[C@@H](CC(F)(F)F)C(=O)[O-])cc1OC ZINC000901779807 1311032988 /nfs/dbraw/zinc/03/29/88/1311032988.db2.gz MJAHXSCFRRKASC-NSHDSACASA-N -1 3 333.306 2.755 20 30 EFEDHM C=CCOC[C@@H](NCc1ccc(C)cc1Br)C(=O)[O-] ZINC000901809099 1311054908 /nfs/dbraw/zinc/05/49/08/1311054908.db2.gz ODBARGLRFMLHFH-CYBMUJFWSA-N -1 3 328.206 2.503 20 30 EFEDHM C=CCn1cc(-c2cccnc2NC(=S)[N-]C(=O)OCC)cn1 ZINC001222413304 1311127790 /nfs/dbraw/zinc/12/77/90/1311127790.db2.gz DWEGSIPGUHTJNI-UHFFFAOYSA-N -1 3 331.401 2.574 20 30 EFEDHM Cc1nc(N[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C)ccc1C#N ZINC001067037780 1311136969 /nfs/dbraw/zinc/13/69/69/1311136969.db2.gz MOPMJZJVCLVLCF-BLLLJJGKSA-N -1 3 336.395 2.540 20 30 EFEDHM C#CCCCN1CC[C@@H]2C[C@@]21C(=O)Nc1nc2c(cccc2[O-])s1 ZINC001276973786 1311394231 /nfs/dbraw/zinc/39/42/31/1311394231.db2.gz UGAMNEOYOJNGTL-XIKOKIGWSA-N -1 3 341.436 2.818 20 30 EFEDHM COC(=O)n1ncc(C#N)c1[N-]c1nc(SC)nc2ccsc21 ZINC001158965019 1311425084 /nfs/dbraw/zinc/42/50/84/1311425084.db2.gz KZFBSKVOMVXGNG-UHFFFAOYSA-N -1 3 346.397 2.839 20 30 EFEDHM O=C1N[C@@H](CO[C@@H](/C(=N\[O-])c2ccccc2)c2ccccc2)CO1 ZINC001225143000 1311481709 /nfs/dbraw/zinc/48/17/09/1311481709.db2.gz NERLDHZEFWZJTL-ZMTIJLFESA-N -1 3 326.352 2.731 20 30 EFEDHM CCOC(=O)[C@@H](C#N)[N-]c1c(Cl)ccc2c(Cl)ncnc21 ZINC001159331756 1311496168 /nfs/dbraw/zinc/49/61/68/1311496168.db2.gz ATTOVJBJJMLTBP-SECBINFHSA-N -1 3 325.155 2.804 20 30 EFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1[n-]c(C)cc(=O)c1C#N ZINC001225467289 1311527741 /nfs/dbraw/zinc/52/77/41/1311527741.db2.gz POHFGEBTFRGZDE-HNNXBMFYSA-N -1 3 345.399 2.912 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)[n-]1 ZINC001225470059 1311528778 /nfs/dbraw/zinc/52/87/78/1311528778.db2.gz QAYOJTFLEGPIKR-ABAIWWIYSA-N -1 3 347.415 2.992 20 30 EFEDHM CC(C)C(=O)OCC(C)(C)[C@@H](Oc1nccc(/C=N/[O-])n1)C(C)C ZINC001226256240 1311637650 /nfs/dbraw/zinc/63/76/50/1311637650.db2.gz OZYXGZDPJUEEPO-FRSZACSASA-N -1 3 337.420 2.914 20 30 EFEDHM Cc1ccccc1Oc1nc(Cl)ncc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160178019 1311660318 /nfs/dbraw/zinc/66/03/18/1311660318.db2.gz AOZZFSBIXKZNBR-GWCFXTLKSA-N -1 3 348.790 2.879 20 30 EFEDHM Cc1nc(-c2ccccc2)nc(Cl)c1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160176646 1311660395 /nfs/dbraw/zinc/66/03/95/1311660395.db2.gz YSIRZYMSLCNADW-CABZTGNLSA-N -1 3 332.791 2.753 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(-c2cccc3ccccc32)nn1 ZINC001160178328 1311660426 /nfs/dbraw/zinc/66/04/26/1311660426.db2.gz GNABARFPMAOPEJ-SGTLLEGYSA-N -1 3 334.379 2.945 20 30 EFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1Oc1cc(=O)[n-]c(CC)n1 ZINC001226472710 1311673187 /nfs/dbraw/zinc/67/31/87/1311673187.db2.gz LEYZVLCCTXRRHV-GFCCVEGCSA-N -1 3 335.404 2.689 20 30 EFEDHM C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1CC[C@@](C)(Oc3cc(=O)[n-]cn3)[C@@H]12 ZINC001226945683 1311745538 /nfs/dbraw/zinc/74/55/38/1311745538.db2.gz ZJLHXIQJLNGENA-LZLXCTOHSA-N -1 3 342.395 2.938 20 30 EFEDHM C=CC[C@@H]1[C@H](Oc2cc(=O)[n-]cn2)CCCN1C(=O)OC(C)(C)C ZINC001226949217 1311745564 /nfs/dbraw/zinc/74/55/64/1311745564.db2.gz NEHMNJBWOCIFFZ-CHWSQXEVSA-N -1 3 335.404 2.905 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(C#N)ccc2[O-])[C@H](F)C1 ZINC001227344743 1311796320 /nfs/dbraw/zinc/79/63/20/1311796320.db2.gz CZMFHWVCNQMXOD-OCCSQVGLSA-N -1 3 336.363 2.990 20 30 EFEDHM C=CCOCC(COCC=C)Oc1cc(=O)cc(C(F)(F)F)[n-]1 ZINC001227586229 1311825311 /nfs/dbraw/zinc/82/53/11/1311825311.db2.gz JQGCOXNYUJMLHX-UHFFFAOYSA-N -1 3 333.306 2.959 20 30 EFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1nc(C(=O)OC)ccc1[O-] ZINC001227824139 1311861791 /nfs/dbraw/zinc/86/17/91/1311861791.db2.gz DYUDWCIIGCKULT-GFCCVEGCSA-N -1 3 347.754 2.687 20 30 EFEDHM Cc1ccc(C=[NH+][N-]c2ncnc3[n-]cnc32)c(-c2cnn(C)c2)c1 ZINC000802710512 1311944907 /nfs/dbraw/zinc/94/49/07/1311944907.db2.gz XELPTIDBFMQWBJ-UHFFFAOYSA-N -1 3 332.371 2.508 20 30 EFEDHM C#C[C@H](Oc1[n-]c(=S)ncc1CC(=O)OCC)c1ccccc1 ZINC001228713411 1311987366 /nfs/dbraw/zinc/98/73/66/1311987366.db2.gz KQRLOMGMOJWLJE-AWEZNQCLSA-N -1 3 328.393 2.624 20 30 EFEDHM N#Cc1cccnc1N1CCC(Oc2cc3c(cc2[O-])CCC3=O)CC1 ZINC001228855767 1312010356 /nfs/dbraw/zinc/01/03/56/1312010356.db2.gz QIQLNBNRMYMGIT-UHFFFAOYSA-N -1 3 349.390 2.836 20 30 EFEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001229338043 1312080956 /nfs/dbraw/zinc/08/09/56/1312080956.db2.gz RPMOHFHGDHAPDC-LBPRGKRZSA-N -1 3 346.387 2.541 20 30 EFEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001229338043 1312080960 /nfs/dbraw/zinc/08/09/60/1312080960.db2.gz RPMOHFHGDHAPDC-LBPRGKRZSA-N -1 3 346.387 2.541 20 30 EFEDHM CCOC(=O)C[C@@H](CC#N)Oc1nc(=S)[n-]c2scc(C)c21 ZINC001229354538 1312082791 /nfs/dbraw/zinc/08/27/91/1312082791.db2.gz YQPSYQIFWVFGKJ-SECBINFHSA-N -1 3 337.426 2.903 20 30 EFEDHM Cc1ccc2nc(Nc3cnc(C)[n-]c3=O)c(C#N)c(Cl)c2c1 ZINC001162305904 1312085317 /nfs/dbraw/zinc/08/53/17/1312085317.db2.gz PDVMHZKHGJHZMJ-ZDUSSCGKSA-N -1 3 325.759 2.878 20 30 EFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N[C@H]2C[C@]23CCCOC3)n1 ZINC001162369294 1312095259 /nfs/dbraw/zinc/09/52/59/1312095259.db2.gz DDFYYXFOCHCTTH-BTFIOGHVSA-N -1 3 328.825 2.641 20 30 EFEDHM COCc1nccnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163765211 1312380694 /nfs/dbraw/zinc/38/06/94/1312380694.db2.gz ONPJKBWMTMNCLZ-UHFFFAOYSA-N -1 3 342.277 2.770 20 30 EFEDHM COc1ncnc(C)c1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163769143 1312381510 /nfs/dbraw/zinc/38/15/10/1312381510.db2.gz PWTRVZAOQYJTJZ-UHFFFAOYSA-N -1 3 342.277 2.940 20 30 EFEDHM N#Cc1c(Cl)nc(Cl)c(NCCCc2c[n-][nH]c2=O)c1Cl ZINC001164373087 1312502744 /nfs/dbraw/zinc/50/27/44/1312502744.db2.gz ZUAPUEMOVVRXQT-ZCFIWIBFSA-N -1 3 346.605 2.837 20 30 EFEDHM C[Si](C)(C)C#Cc1cc(Cl)cnc1NCCCc1c[n-][nH]c1=O ZINC001164373092 1312502915 /nfs/dbraw/zinc/50/29/15/1312502915.db2.gz ZXHWEKHUINKAMB-CYBMUJFWSA-N -1 3 348.910 2.888 20 30 EFEDHM C=CCN1CC[C@@]2(CCCN(Cc3cc(C(=O)[O-])ccc3F)C2)C1=O ZINC001231460338 1312503332 /nfs/dbraw/zinc/50/33/32/1312503332.db2.gz VYLCVGBUXZNQBH-LJQANCHMSA-N -1 3 346.402 2.524 20 30 EFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CC[C@@H]3CCCO[C@@H]3C2)n1 ZINC001165329611 1312610457 /nfs/dbraw/zinc/61/04/57/1312610457.db2.gz BDCXYRMJBSPIAT-MPZQLARYSA-N -1 3 342.852 2.665 20 30 EFEDHM COC(=O)c1ccc(F)cc1[N-]c1nc(C#N)c(C#N)nc1Cl ZINC001211347612 1314480905 /nfs/dbraw/zinc/48/09/05/1314480905.db2.gz XZVHQLOUEYRPAS-UHFFFAOYSA-N -1 3 331.694 2.543 20 30 EFEDHM N#Cc1ccc(NC(=S)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC001245921657 1314550063 /nfs/dbraw/zinc/55/00/63/1314550063.db2.gz CVSVFWYOHWRLBV-UHFFFAOYSA-N -1 3 337.364 2.722 20 30 EFEDHM COc1cc(N2CCN(C)CC2)ccc1Nc1scc([O-])c1C#N ZINC001213541354 1314571515 /nfs/dbraw/zinc/57/15/15/1314571515.db2.gz TWFDEKPORTVWKJ-UHFFFAOYSA-N -1 3 344.440 2.829 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(-c2cccc(F)c2)n1 ZINC000119906425 1314735002 /nfs/dbraw/zinc/73/50/02/1314735002.db2.gz ALYRJRRACDGQKN-MRXNPFEDSA-N -1 3 348.337 2.973 20 30 EFEDHM N#Cc1cccc(-c2noc(C(=O)[N-]c3ccc(Cl)cn3)n2)c1 ZINC001247263117 1314764206 /nfs/dbraw/zinc/76/42/06/1314764206.db2.gz ARINQWOPRKDSNU-UHFFFAOYSA-N -1 3 325.715 2.909 20 30 EFEDHM COc1ccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1C#N ZINC001214998881 1314767388 /nfs/dbraw/zinc/76/73/88/1314767388.db2.gz MNSQNLCTHCTSRB-UHFFFAOYSA-N -1 3 337.788 2.603 20 30 EFEDHM C=CCCC(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1[O-])C2 ZINC001053607960 1314978952 /nfs/dbraw/zinc/97/89/52/1314978952.db2.gz IEEGYSMRFKKIQU-MUJYYYPQSA-N -1 3 342.439 2.858 20 30 EFEDHM Cc1ncc(Nc2ccc(OC3CCOCC3)c(C#N)c2)c(=O)[n-]1 ZINC001216665327 1314989958 /nfs/dbraw/zinc/98/99/58/1314989958.db2.gz RRXOGEIJFOBMBS-UHFFFAOYSA-N -1 3 326.356 2.664 20 30 EFEDHM CCCCCCCNC(=S)Nc1ncc(Br)[n-]c1=O ZINC001249650296 1315114667 /nfs/dbraw/zinc/11/46/67/1315114667.db2.gz PRRNIVKKAYBGIC-UHFFFAOYSA-N -1 3 347.282 2.789 20 30 EFEDHM CCOC(Cc1c(Nc2ccc(C#N)cc2)nc[n-]c1=O)OCC ZINC001249704263 1315124538 /nfs/dbraw/zinc/12/45/38/1315124538.db2.gz BJCORNYWRPBCKB-UHFFFAOYSA-N -1 3 328.372 2.739 20 30 EFEDHM C=CCCN1Cc2ccccc2C[C@H]1CNC(=O)c1ncccc1[O-] ZINC001054038361 1315203209 /nfs/dbraw/zinc/20/32/09/1315203209.db2.gz BDLJAAGRIQXINJ-KRWDZBQOSA-N -1 3 337.423 2.520 20 30 EFEDHM N#Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCCC1 ZINC001251146049 1315324849 /nfs/dbraw/zinc/32/48/49/1315324849.db2.gz DLMMCYOZDBBUHU-UHFFFAOYSA-N -1 3 327.409 2.959 20 30 EFEDHM CN1CCN(c2ccc3[nH]c(-c4cc(C#N)ccc4[O-])nc3c2)CC1 ZINC001251180416 1315328348 /nfs/dbraw/zinc/32/83/48/1315328348.db2.gz UYOAZZMDFCOFFJ-UHFFFAOYSA-N -1 3 333.395 2.559 20 30 EFEDHM C=CCC[C@H](O)CNc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001252607676 1315475281 /nfs/dbraw/zinc/47/52/81/1315475281.db2.gz PSUZBMNHFCDIIK-LBPRGKRZSA-N -1 3 337.375 2.907 20 30 EFEDHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)ccc2[nH]1 ZINC001253704309 1315629366 /nfs/dbraw/zinc/62/93/66/1315629366.db2.gz XRWAQXSFVZLPOI-UHFFFAOYSA-N -1 3 326.381 2.738 20 30 EFEDHM C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001052034485 1315901955 /nfs/dbraw/zinc/90/19/55/1315901955.db2.gz QZRUISLYBLGJBF-CABCVRRESA-N -1 3 330.428 2.573 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2F)cc1OC ZINC001257089792 1316032271 /nfs/dbraw/zinc/03/22/71/1316032271.db2.gz OENHPRDVJHDQDA-UHFFFAOYSA-N -1 3 336.344 2.515 20 30 EFEDHM C[C@H]1[C@@H](Nc2ncc(C#N)cc2F)CCN1C(=O)c1ccccc1[O-] ZINC001040039211 1316070696 /nfs/dbraw/zinc/07/06/96/1316070696.db2.gz LLNZOGYWTKLNBX-NHYWBVRUSA-N -1 3 340.358 2.513 20 30 EFEDHM Cc1nc(Cl)nc(Cl)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258201419 1316130961 /nfs/dbraw/zinc/13/09/61/1316130961.db2.gz APXZWCONAZBATI-UHFFFAOYSA-N -1 3 343.195 2.764 20 30 EFEDHM N#CCc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC001259369135 1316233961 /nfs/dbraw/zinc/23/39/61/1316233961.db2.gz PMHAWWCJPCWTFZ-UHFFFAOYSA-N -1 3 338.392 2.739 20 30 EFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)ccc1F ZINC001259410860 1316239136 /nfs/dbraw/zinc/23/91/36/1316239136.db2.gz BSYNGYAFQHHPLR-UHFFFAOYSA-N -1 3 342.355 2.684 20 30 EFEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)F)c1)c1ccccc1 ZINC001259438078 1316243141 /nfs/dbraw/zinc/24/31/41/1316243141.db2.gz OMYGJSLXECBVCU-AWEZNQCLSA-N -1 3 338.335 2.831 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)CCc2ccc(F)cc2)c(F)c1F ZINC001259761053 1316274130 /nfs/dbraw/zinc/27/41/30/1316274130.db2.gz IPBSJCFWRHYAGS-UHFFFAOYSA-N -1 3 340.326 2.960 20 30 EFEDHM N#Cc1cc(F)c([N-]S(=O)(=O)CCc2ccccc2F)cc1F ZINC001259785645 1316278020 /nfs/dbraw/zinc/27/80/20/1316278020.db2.gz IQTBOTFKCTVJFP-UHFFFAOYSA-N -1 3 340.326 2.960 20 30 EFEDHM COC(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1C ZINC001260037300 1316309505 /nfs/dbraw/zinc/30/95/05/1316309505.db2.gz HSZDRNXCKFHMIM-UHFFFAOYSA-N -1 3 344.392 2.595 20 30 EFEDHM Cn1ccc2c1cccc2[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260044759 1316310541 /nfs/dbraw/zinc/31/05/41/1316310541.db2.gz KVQVXXKHXPCJJR-UHFFFAOYSA-N -1 3 325.393 2.992 20 30 EFEDHM C=C(C)CCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001073996326 1316487187 /nfs/dbraw/zinc/48/71/87/1316487187.db2.gz JLQJDFOAVPETFP-ZBFHGGJFSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001074164736 1316504185 /nfs/dbraw/zinc/50/41/85/1316504185.db2.gz JBOUJUPRRLQSPL-ZBFHGGJFSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC[C@@H](C)C1 ZINC001262988105 1316513354 /nfs/dbraw/zinc/51/33/54/1316513354.db2.gz LUVZJRWQMIBUQS-GFCCVEGCSA-N -1 3 328.420 2.562 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccco1 ZINC001263285742 1316526693 /nfs/dbraw/zinc/52/66/93/1316526693.db2.gz NOVDRTRXXIDNEO-UHFFFAOYSA-N -1 3 340.387 2.555 20 30 EFEDHM CCc1cc(=O)[n-]c(CSCCC(=O)Nc2cccc(C#N)c2)n1 ZINC001319165371 1328794845 /nfs/dbraw/zinc/79/48/45/1328794845.db2.gz FERUVINXTNXDEA-UHFFFAOYSA-N -1 3 342.424 2.878 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001310417740 1324908276 /nfs/dbraw/zinc/90/82/76/1324908276.db2.gz FPNRYFLRMDBPAG-UHFFFAOYSA-N -1 3 333.355 2.615 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001310417740 1324908285 /nfs/dbraw/zinc/90/82/85/1324908285.db2.gz FPNRYFLRMDBPAG-UHFFFAOYSA-N -1 3 333.355 2.615 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(C3CCC3)o2)ccc1F ZINC001322477860 1329461670 /nfs/dbraw/zinc/46/16/70/1329461670.db2.gz ZTHKZBOOCJIONT-UHFFFAOYSA-N -1 3 337.376 2.608 20 30 EFEDHM CC(C)c1ccc2c(c1)C(=N[N-]c1nncc(N)c1Cl)C(=O)N2 ZINC001323975262 1329588872 /nfs/dbraw/zinc/58/88/72/1329588872.db2.gz UTCLKJYQNUFJIO-UHFFFAOYSA-N -1 3 330.779 2.604 20 30 EFEDHM CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(Cl)c(Cl)c1 ZINC001327113796 1330418635 /nfs/dbraw/zinc/41/86/35/1330418635.db2.gz RSDOFLPRZMWHDS-LBPRGKRZSA-N -1 3 345.226 2.767 20 30 EFEDHM CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Cl)c(Cl)c1 ZINC001327113794 1330418869 /nfs/dbraw/zinc/41/88/69/1330418869.db2.gz RSDOFLPRZMWHDS-GFCCVEGCSA-N -1 3 345.226 2.767 20 30 EFEDHM COc1cc(CN=Nc2ccc(C(C)(C)C)nn2)cc([N+](=O)[O-])c1[O-] ZINC001328716118 1330619690 /nfs/dbraw/zinc/61/96/90/1330619690.db2.gz PRARWPQVNRJRCK-UHFFFAOYSA-N -1 3 345.359 2.843 20 30 EFEDHM C=C(C)C[C@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC001329311973 1330692946 /nfs/dbraw/zinc/69/29/46/1330692946.db2.gz ZZDDRSBPAOIRBI-AWEZNQCLSA-N -1 3 338.770 2.569 20 30 EFEDHM CC(C)c1ccc(C2(C(=O)N[C@@H]3CCCN([O-])C3=O)CCC2)cc1 ZINC001329916645 1330749814 /nfs/dbraw/zinc/74/98/14/1330749814.db2.gz VUTAACHTBLORIE-MRXNPFEDSA-N -1 3 330.428 2.728 20 30 EFEDHM C=CC[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(=O)[O-] ZINC001333125684 1331081938 /nfs/dbraw/zinc/08/19/38/1331081938.db2.gz VRJJXXKRYDXTNC-MRVPVSSYSA-N -1 3 335.179 2.538 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@H](OC)C3)n2C)c1[O-] ZINC001338687798 1331725566 /nfs/dbraw/zinc/72/55/66/1331725566.db2.gz LWVHGMSZJVCNBO-CQSZACIVSA-N -1 3 328.416 2.531 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C)c1[O-] ZINC001338690934 1331725846 /nfs/dbraw/zinc/72/58/46/1331725846.db2.gz XUQUMDGEGZYLNO-ZDUSSCGKSA-N -1 3 325.416 2.902 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001339014327 1331770012 /nfs/dbraw/zinc/77/00/12/1331770012.db2.gz GDIBIGHMQNGWQR-LBPRGKRZSA-N -1 3 329.404 2.841 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001339194079 1331813239 /nfs/dbraw/zinc/81/32/39/1331813239.db2.gz BPAUGVQVHJCTQR-HIFRSBDPSA-N -1 3 340.431 2.704 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001339196415 1331814082 /nfs/dbraw/zinc/81/40/82/1331814082.db2.gz MGGYEYODPJUQJO-AWEZNQCLSA-N -1 3 342.447 2.808 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C2CCN(c3cccc(F)c3)CC2)c1[O-] ZINC001339329025 1331843466 /nfs/dbraw/zinc/84/34/66/1331843466.db2.gz YJVPQZIBAPXCDB-JJFYIABZSA-N -1 3 343.402 2.815 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC(C)(OC)C3)n2C)c1[O-] ZINC001340035971 1332130782 /nfs/dbraw/zinc/13/07/82/1332130782.db2.gz OQXKZFDZPPSTQI-UHFFFAOYSA-N -1 3 328.416 2.531 20 30 EFEDHM C=CCN(Cc1cccs1)c1nnc(-c2cnc[n-]c2=O)n1CC ZINC001341093450 1332233412 /nfs/dbraw/zinc/23/34/12/1332233412.db2.gz QHXVACIUWJYYTP-UHFFFAOYSA-N -1 3 342.428 2.715 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@H](C)C3)n2C)c1[O-] ZINC001341827571 1332287401 /nfs/dbraw/zinc/28/74/01/1332287401.db2.gz NVYUOWVVLCVHJF-CYBMUJFWSA-N -1 3 328.416 2.531 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1ccc(C)s1 ZINC001342150629 1332310366 /nfs/dbraw/zinc/31/03/66/1332310366.db2.gz UOYJEWYDNBGYTI-UHFFFAOYSA-N -1 3 342.428 2.633 20 30 EFEDHM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1nc(N)c2ccccc2n1 ZINC001343477061 1332349552 /nfs/dbraw/zinc/34/95/52/1332349552.db2.gz IETUXHDGPFVHCA-NSHDSACASA-N -1 3 345.318 2.549 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(C3CCC3)c2)c1 ZINC001343582896 1332359789 /nfs/dbraw/zinc/35/97/89/1332359789.db2.gz MFMMOPHCYZMCKG-INIZCTEOSA-N -1 3 338.367 2.578 20 30 EFEDHM C=C[C@@H](CC)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001345754392 1332571346 /nfs/dbraw/zinc/57/13/46/1332571346.db2.gz CBHVLWWPQDROBO-OXJNMPFZSA-N -1 3 344.455 2.824 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H](C)C1CC1 ZINC001345973104 1332589296 /nfs/dbraw/zinc/58/92/96/1332589296.db2.gz FGTLSXLEKKYAPY-NSHDSACASA-N -1 3 328.420 2.560 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C2CCC2)c1 ZINC001346239506 1332615816 /nfs/dbraw/zinc/61/58/16/1332615816.db2.gz KYKUUMLLHPYKOG-AWEZNQCLSA-N -1 3 338.367 2.578 20 30 EFEDHM C=C(C)Cn1c(-c2cnc(C3CC3)[n-]c2=O)nnc1N(C)CCCF ZINC001346592723 1332659146 /nfs/dbraw/zinc/65/91/46/1332659146.db2.gz IJXUSFIJCPSYCI-UHFFFAOYSA-N -1 3 346.410 2.690 20 30 EFEDHM CCCCCCCC(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001347304075 1332732933 /nfs/dbraw/zinc/73/29/33/1332732933.db2.gz BKEKPNNZVHGOSF-OAHLLOKOSA-N -1 3 334.464 2.936 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1cn(C)nc1-c1cccs1 ZINC001347337974 1332735740 /nfs/dbraw/zinc/73/57/40/1332735740.db2.gz OBNUYHJDIVQGFF-LLVKDONJSA-N -1 3 325.397 2.855 20 30 EFEDHM C=CCC1(C(=O)N[C@@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)CCCCC1 ZINC001350439759 1333083076 /nfs/dbraw/zinc/08/30/76/1333083076.db2.gz KZLGJGJEJFNJQE-OAHLLOKOSA-N -1 3 344.459 2.712 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H](C)c1cccs1 ZINC001351722668 1333275081 /nfs/dbraw/zinc/27/50/81/1333275081.db2.gz FJVRAVNWHNXZTF-LLVKDONJSA-N -1 3 342.428 2.886 20 30 EFEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1nc2ncccn2n1 ZINC001353185255 1333994288 /nfs/dbraw/zinc/99/42/88/1333994288.db2.gz OGSAGTYHXNUQBS-NSHDSACASA-N -1 3 338.396 2.628 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCOC(F)(F)F ZINC001353196393 1334003225 /nfs/dbraw/zinc/00/32/25/1334003225.db2.gz MMDGTDURDJWSCY-UHFFFAOYSA-N -1 3 346.305 2.678 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000848132725 1334345203 /nfs/dbraw/zinc/34/52/03/1334345203.db2.gz UPHIQFKQTVFTIM-OPQQBVKSSA-N -1 3 343.210 2.593 20 30 EFEDHM Cc1ccc(SC2(C(=O)N[C@@H]3CCCN([O-])C3=O)CCCC2)cc1 ZINC000848136915 1334348539 /nfs/dbraw/zinc/34/85/39/1334348539.db2.gz UHLFLFLTNQQYRH-OAHLLOKOSA-N -1 3 348.468 2.896 20 30 EFEDHM Cc1ccc2c(Cl)c(C(=O)N[C@H]3CCCN([O-])C3=O)sc2c1 ZINC000848137394 1334349206 /nfs/dbraw/zinc/34/92/06/1334349206.db2.gz AHAVNMIHKJKNMP-JTQLQIEISA-N -1 3 338.816 2.973 20 30 EFEDHM O=C(Cc1coc2ccc3ccccc3c12)N[C@H]1CCCN([O-])C1=O ZINC000848137964 1334349738 /nfs/dbraw/zinc/34/97/38/1334349738.db2.gz LIPHYERDQOQHMB-HNNXBMFYSA-N -1 3 338.363 2.625 20 30 EFEDHM Cc1ccc(-c2ncc(C(=O)N[C@H]3CCCN([O-])C3=O)s2)c(C)c1 ZINC000848139054 1334350881 /nfs/dbraw/zinc/35/08/81/1334350881.db2.gz RCPNDQPJLXYXJE-ZDUSSCGKSA-N -1 3 345.424 2.537 20 30 EFEDHM C[C@@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1c(Cl)cccc1Cl ZINC000848139333 1334352104 /nfs/dbraw/zinc/35/21/04/1334352104.db2.gz UEXBAJJEFIJKSQ-KCJUWKMLSA-N -1 3 331.199 2.593 20 30 EFEDHM C[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1c(Cl)cccc1Cl ZINC000848139331 1334352258 /nfs/dbraw/zinc/35/22/58/1334352258.db2.gz UEXBAJJEFIJKSQ-GZMMTYOYSA-N -1 3 331.199 2.593 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)[C@H](C)[C@@H]1C ZINC001355958934 1334918308 /nfs/dbraw/zinc/91/83/08/1334918308.db2.gz VFPIBRBXSHNNKJ-AVGNSLFASA-N -1 3 342.447 2.806 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)Cc1ccsc1 ZINC001356134424 1334968374 /nfs/dbraw/zinc/96/83/74/1334968374.db2.gz NIVPIMHQUJANFV-UHFFFAOYSA-N -1 3 342.428 2.633 20 30 EFEDHM C#C[C@H](C)N(C)c1nnc(CCc2cccc(Cl)c2[O-])n1CC ZINC001356267601 1335005998 /nfs/dbraw/zinc/00/59/98/1335005998.db2.gz XYASPHJCPMUEAH-LBPRGKRZSA-N -1 3 332.835 2.900 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(C)=C(C)C1 ZINC001356381622 1335028920 /nfs/dbraw/zinc/02/89/20/1335028920.db2.gz QXFWGPYYYAUGTB-UHFFFAOYSA-N -1 3 326.404 2.563 20 30 EFEDHM COc1cc(C(=O)/C=C/c2c(C3CC3)cnn2C)c(OC)cc1[O-] ZINC000849246001 1335576504 /nfs/dbraw/zinc/57/65/04/1335576504.db2.gz DIFQBJWPXZCDHF-VOTSOKGWSA-N -1 3 328.368 2.916 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C(C)C)ns1 ZINC001361755770 1336315774 /nfs/dbraw/zinc/31/57/74/1336315774.db2.gz ZQPJFXURZQZIQI-UHFFFAOYSA-N -1 3 345.428 2.822 20 30 EFEDHM N#Cc1c(F)cc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1F ZINC001361841732 1336370044 /nfs/dbraw/zinc/37/00/44/1336370044.db2.gz IYPZIXOJBNTJBK-UHFFFAOYSA-N -1 3 334.229 2.959 20 30 EFEDHM COc1cc(F)c(C(=O)[N-]c2ncc3c(c2C#N)COCC3)c(F)c1 ZINC001361877246 1336392161 /nfs/dbraw/zinc/39/21/61/1336392161.db2.gz QLOWGGZTEKPZBO-UHFFFAOYSA-N -1 3 345.305 2.565 20 30 EFEDHM Cc1nc(C(=O)Nc2cc([O-])cc(Br)c2)ccc1C#N ZINC001362659085 1336694129 /nfs/dbraw/zinc/69/41/29/1336694129.db2.gz CLMNFXAHFFJVRV-UHFFFAOYSA-N -1 3 332.157 2.982 20 30 EFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCC2(C#N)CCC2)s1 ZINC001362769227 1336734921 /nfs/dbraw/zinc/73/49/21/1336734921.db2.gz HXDGYSBTCFRYJS-UHFFFAOYSA-N -1 3 336.417 2.914 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(F)c(C#N)c2)[n-]n1 ZINC001362937117 1336759461 /nfs/dbraw/zinc/75/94/61/1336759461.db2.gz ZZGXUXVOVXRSCE-UHFFFAOYSA-N -1 3 330.319 2.628 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccc(F)c(C#N)c2)n[n-]1 ZINC001362937117 1336759463 /nfs/dbraw/zinc/75/94/63/1336759463.db2.gz ZZGXUXVOVXRSCE-UHFFFAOYSA-N -1 3 330.319 2.628 20 30 EFEDHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1C#N ZINC001363515513 1336912969 /nfs/dbraw/zinc/91/29/69/1336912969.db2.gz UPJAFWFVCSQYLP-UHFFFAOYSA-N -1 3 326.356 2.797 20 30 EFEDHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1C#N ZINC001363515513 1336912970 /nfs/dbraw/zinc/91/29/70/1336912970.db2.gz UPJAFWFVCSQYLP-UHFFFAOYSA-N -1 3 326.356 2.797 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(C#N)ccc2F)[n-]n1 ZINC001418159695 1373705220 /nfs/dbraw/zinc/70/52/20/1373705220.db2.gz AILGZWXEOOLQKF-UHFFFAOYSA-N -1 3 330.319 2.628 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(C#N)ccc2F)n[n-]1 ZINC001418159695 1373705224 /nfs/dbraw/zinc/70/52/24/1373705224.db2.gz AILGZWXEOOLQKF-UHFFFAOYSA-N -1 3 330.319 2.628 20 30 EFEDHM COc1cc([N-]C(=O)c2ncoc2-c2ccon2)c(F)cc1C#N ZINC001438031060 1388330062 /nfs/dbraw/zinc/33/00/62/1388330062.db2.gz ALYXFNZXIXZWRW-UHFFFAOYSA-N -1 3 328.259 2.601 20 30 EFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cc4ncccc4o3)n2)cc1 ZINC001457032322 1394932083 /nfs/dbraw/zinc/93/20/83/1394932083.db2.gz UUFMXQLBYLXBDY-UHFFFAOYSA-N -1 3 344.334 2.592 20 30 EFEDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)c(F)c2)cc1F ZINC001463886126 1396529055 /nfs/dbraw/zinc/52/90/55/1396529055.db2.gz XPNJYYLCHXUTKX-UHFFFAOYSA-N -1 3 340.326 2.763 20 30 EFEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001470789854 1397122053 /nfs/dbraw/zinc/12/20/53/1397122053.db2.gz VZPFTBXZSSCEOR-AWEZNQCLSA-N -1 3 332.367 2.578 20 30 EFEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001470789854 1397122060 /nfs/dbraw/zinc/12/20/60/1397122060.db2.gz VZPFTBXZSSCEOR-AWEZNQCLSA-N -1 3 332.367 2.578 20 30 EFEDHM N#Cc1cccc(-c2nc([N-]C(=O)c3ncnc4ccsc43)n[nH]2)c1 ZINC001472634808 1397264366 /nfs/dbraw/zinc/26/43/66/1397264366.db2.gz ASGWWOCDXVQIOQ-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM Cn1cc([C@@H]2OCCC[C@@H]2C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001552305654 1414417689 /nfs/dbraw/zinc/41/76/89/1414417689.db2.gz UDEPSZDQYDOORR-HOCLYGCPSA-N -1 3 349.818 2.959 20 30 EFEDHM O=C(c1cnn(C[C@@H]2CCCCO2)c1)N([O-])Cc1ccc(F)cc1 ZINC001553249423 1414751105 /nfs/dbraw/zinc/75/11/05/1414751105.db2.gz BTVOESLZQRFFGU-INIZCTEOSA-N -1 3 333.363 2.623 20 30 EFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccnc(C#N)c1 ZINC000825322887 1429323845 /nfs/dbraw/zinc/32/38/45/1429323845.db2.gz KWUCTTHABSXYQF-UHFFFAOYSA-N -1 3 333.399 2.546 20 30 EFEDHM C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820758617 1425227139 /nfs/dbraw/zinc/22/71/39/1425227139.db2.gz AJENSUQEPTXLCG-CQSZACIVSA-N -1 3 347.426 2.787 20 30 EFEDHM C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820758617 1425227141 /nfs/dbraw/zinc/22/71/41/1425227141.db2.gz AJENSUQEPTXLCG-CQSZACIVSA-N -1 3 347.426 2.787 20 30 EFEDHM N#CCC[C@H](NC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381723 1427560800 /nfs/dbraw/zinc/56/08/00/1427560800.db2.gz WKKRXUKKHZXCEE-ZWKOTPCHSA-N -1 3 348.410 2.535 20 30 EFEDHM N#CCC[C@H](NC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381723 1427560802 /nfs/dbraw/zinc/56/08/02/1427560802.db2.gz WKKRXUKKHZXCEE-ZWKOTPCHSA-N -1 3 348.410 2.535 20 30 EFEDHM CCN(Cc1ccnc(C#N)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825439734 1447063899 /nfs/dbraw/zinc/06/38/99/1447063899.db2.gz MECWRKZTDXGBNP-CYBMUJFWSA-N -1 3 333.399 2.716 20 30 EFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000023346329 712903467 /nfs/dbraw/zinc/90/34/67/712903467.db2.gz WFKFGJXZZWQWCJ-HWPZZCPQSA-N -1 3 333.413 2.829 20 30 EFEDHM [O-]c1ccc(Br)cc1C=Nc1cccc(-n2cnnn2)c1 ZINC000254955097 713145804 /nfs/dbraw/zinc/14/58/04/713145804.db2.gz NUXOIRNINSJRGO-UHFFFAOYSA-N -1 3 344.172 2.881 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCOC1CCCC1 ZINC000127141916 713836781 /nfs/dbraw/zinc/83/67/81/713836781.db2.gz WULLJHPTUUZTRP-UHFFFAOYSA-N -1 3 346.427 2.689 20 30 EFEDHM [O-]c1c(O)ccc(C=Nc2ccc(OCC(F)(F)F)nc2)c1O ZINC000255141063 713886337 /nfs/dbraw/zinc/88/63/37/713886337.db2.gz GMMGMCBQFMNLIZ-UHFFFAOYSA-N -1 3 328.246 2.890 20 30 EFEDHM CN(Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000971107496 714362466 /nfs/dbraw/zinc/36/24/66/714362466.db2.gz FICUQQQBCGFPET-CYBMUJFWSA-N -1 3 341.436 2.672 20 30 EFEDHM CC(C)(C)OCc1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000933200064 714541211 /nfs/dbraw/zinc/54/12/11/714541211.db2.gz MILONJGHWUMQPK-CQSZACIVSA-N -1 3 335.404 2.503 20 30 EFEDHM [O-]c1c(O)ccc(C=Nc2ccc(N3CCOCC3)c(F)c2)c1O ZINC000255447591 715231371 /nfs/dbraw/zinc/23/13/71/715231371.db2.gz QGLNVHFWWBGSIX-UHFFFAOYSA-N -1 3 332.331 2.530 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000975121359 715523289 /nfs/dbraw/zinc/52/32/89/715523289.db2.gz LUZSWDRYCGMTJX-QRWLVFNGSA-N -1 3 344.455 2.963 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000975132292 715549369 /nfs/dbraw/zinc/54/93/69/715549369.db2.gz KEXQQLWXBMHTAR-HNNXBMFYSA-N -1 3 344.455 2.963 20 30 EFEDHM C=C1CCC(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccccc2[O-])CC1 ZINC000977409741 716158125 /nfs/dbraw/zinc/15/81/25/716158125.db2.gz LTIKJCKHXYVZRF-INIZCTEOSA-N -1 3 342.439 2.812 20 30 EFEDHM C=C1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccccc3[O-])C2)CC1 ZINC000978601769 716303182 /nfs/dbraw/zinc/30/31/82/716303182.db2.gz VTSZJFXQNNJISG-FZNQNYSPSA-N -1 3 342.439 2.763 20 30 EFEDHM C=C1CC(c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)C1 ZINC000896889946 723581160 /nfs/dbraw/zinc/58/11/60/723581160.db2.gz FKGHCSFRRBKMRA-GFCCVEGCSA-N -1 3 333.413 2.851 20 30 EFEDHM C=C1CCC(C(=O)N(C)C[C@@H]2CCN2C(=O)c2ccccc2[O-])CC1 ZINC000978319200 716978227 /nfs/dbraw/zinc/97/82/27/716978227.db2.gz FABKBFDDFZQPHP-INIZCTEOSA-N -1 3 342.439 2.812 20 30 EFEDHM CC1(C)CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000972815335 717355773 /nfs/dbraw/zinc/35/57/73/717355773.db2.gz QPGQDKNQUYPSIU-LJQANCHMSA-N -1 3 349.434 2.904 20 30 EFEDHM CC1(C)CN(Cc2cccc(C#N)c2)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000972815334 717355898 /nfs/dbraw/zinc/35/58/98/717355898.db2.gz QPGQDKNQUYPSIU-IBGZPJMESA-N -1 3 349.434 2.904 20 30 EFEDHM C#CCCCS(=O)(=O)[N-]c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000840945659 717821881 /nfs/dbraw/zinc/82/18/81/717821881.db2.gz UBLKPIMHWOOWCD-UHFFFAOYSA-N -1 3 331.319 2.737 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(C)n1 ZINC000177601229 718127741 /nfs/dbraw/zinc/12/77/41/718127741.db2.gz RMVGNQRBLSWYDT-LBPRGKRZSA-N -1 3 340.383 2.513 20 30 EFEDHM N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)c(Cl)c1 ZINC001059554570 724499873 /nfs/dbraw/zinc/49/98/73/724499873.db2.gz RKYODGSCNXAOPR-TXEJJXNPSA-N -1 3 342.786 2.685 20 30 EFEDHM CCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000181253901 718412555 /nfs/dbraw/zinc/41/25/55/718412555.db2.gz XMRVUABEBOEIGG-SNVBAGLBSA-N -1 3 348.765 2.736 20 30 EFEDHM C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000021677999 724633686 /nfs/dbraw/zinc/63/36/86/724633686.db2.gz DXGVNXCPDFEWPK-AWEZNQCLSA-N -1 3 338.363 2.884 20 30 EFEDHM CCCOc1c(C=N[N-]c2[nH+]cnc3[n-]cnc32)cccc1OCC ZINC000917554984 728759190 /nfs/dbraw/zinc/75/91/90/728759190.db2.gz NJQODMDKOSNFQD-UHFFFAOYSA-N -1 3 340.387 2.986 20 30 EFEDHM C=C(C)CCC(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059195947 722885606 /nfs/dbraw/zinc/88/56/06/722885606.db2.gz MTNWNMHHYKBGTN-OAHLLOKOSA-N -1 3 330.428 2.717 20 30 EFEDHM CC#CCCCC(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196532 722886929 /nfs/dbraw/zinc/88/69/29/722886929.db2.gz XHAJEEJBUWVSBD-INIZCTEOSA-N -1 3 342.439 2.554 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1F ZINC000029057589 723338205 /nfs/dbraw/zinc/33/82/05/723338205.db2.gz OIGYDBVHOYGGQH-UHFFFAOYSA-N -1 3 348.399 2.851 20 30 EFEDHM O=C1[C@H](NCc2cccc(Cl)c2Br)CCCN1[O-] ZINC000895156592 723482457 /nfs/dbraw/zinc/48/24/57/723482457.db2.gz DNWQLTBYCJZLKZ-SNVBAGLBSA-N -1 3 333.613 2.572 20 30 EFEDHM CN(C)c1cc(Cl)cc(Cl)c1CN[C@H]1CCCN([O-])C1=O ZINC000895158633 723486090 /nfs/dbraw/zinc/48/60/90/723486090.db2.gz LHWXHCNFAFJFQB-LBPRGKRZSA-N -1 3 332.231 2.529 20 30 EFEDHM COc1ccc(-c2ccccc2)cc1CN[C@H]1CCCN([O-])C1=O ZINC000895161353 723492326 /nfs/dbraw/zinc/49/23/26/723492326.db2.gz FVOVPURXDQEHGY-KRWDZBQOSA-N -1 3 326.396 2.832 20 30 EFEDHM O=C1[C@@H](NCc2cc(Br)c(Cl)s2)CCCN1[O-] ZINC000895161794 723492957 /nfs/dbraw/zinc/49/29/57/723492957.db2.gz UKVMOSBMAPFGJH-QMMMGPOBSA-N -1 3 339.642 2.634 20 30 EFEDHM [O-]c1c(O)cc(CN=Nc2ncccc2F)cc1Br ZINC000794990782 723980802 /nfs/dbraw/zinc/98/08/02/723980802.db2.gz QINOSFIWLZKWGB-UHFFFAOYSA-N -1 3 326.125 2.840 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C1CC1)C(F)(F)F ZINC000126975313 724073660 /nfs/dbraw/zinc/07/36/60/724073660.db2.gz KMZJKCLFPBLNCI-AWEZNQCLSA-N -1 3 342.317 2.680 20 30 EFEDHM C=C(C)CCC(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001059745970 724914003 /nfs/dbraw/zinc/91/40/03/724914003.db2.gz LTOXZWUIDYWBTJ-OAHLLOKOSA-N -1 3 330.428 2.717 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1OC ZINC000130074773 725505160 /nfs/dbraw/zinc/50/51/60/725505160.db2.gz VYVJJAUTHANDTG-LBPRGKRZSA-N -1 3 328.324 2.566 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc2[nH]ccc21 ZINC000174719117 725729656 /nfs/dbraw/zinc/72/96/56/725729656.db2.gz PRVGOJPKZIMDGR-UHFFFAOYSA-N -1 3 335.363 2.883 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(F)c2)cc1Cl ZINC000151618846 725790492 /nfs/dbraw/zinc/79/04/92/725790492.db2.gz ZZIKXEDGAFDSJK-GFCCVEGCSA-N -1 3 347.733 2.844 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc(F)c(F)c(F)c1 ZINC000730434059 726132113 /nfs/dbraw/zinc/13/21/13/726132113.db2.gz ZIAQZBYKOXFTBF-UHFFFAOYSA-N -1 3 342.342 2.948 20 30 EFEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2ncc[nH]2)cc1 ZINC000731153353 726813235 /nfs/dbraw/zinc/81/32/35/726813235.db2.gz HZNZLLMCQONEMD-UHFFFAOYSA-N -1 3 341.396 2.657 20 30 EFEDHM Cc1ncc(CO)c(/C=N\CC2(c3ccccc3)CCOCC2)c1[O-] ZINC000915113070 726872981 /nfs/dbraw/zinc/87/29/81/726872981.db2.gz MWAGKSJUZGFOGE-MTJSOVHGSA-N -1 3 340.423 2.755 20 30 EFEDHM N#Cc1cccc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)c1 ZINC000731605266 726904262 /nfs/dbraw/zinc/90/42/62/726904262.db2.gz HDRISAVFODDDND-UHFFFAOYSA-N -1 3 330.290 2.659 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(N)c2)no1 ZINC000731802162 726936001 /nfs/dbraw/zinc/93/60/01/726936001.db2.gz GLWDONIJGYYOSM-UHFFFAOYSA-N -1 3 335.367 2.693 20 30 EFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccsc2)cc1 ZINC000130401029 727108125 /nfs/dbraw/zinc/10/81/25/727108125.db2.gz JECCBWBRAXILHA-AWEZNQCLSA-N -1 3 342.376 2.886 20 30 EFEDHM CC(C)S(=O)(=O)Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000732714145 727194997 /nfs/dbraw/zinc/19/49/97/727194997.db2.gz RNAITNKHZXQXOZ-UHFFFAOYSA-N -1 3 349.408 2.877 20 30 EFEDHM CCCCCCC[C@]1(C)NC(=O)N(N=C([O-])NCCCC)C1=O ZINC000915876687 727246825 /nfs/dbraw/zinc/24/68/25/727246825.db2.gz GIBZNJPAVICCDF-INIZCTEOSA-N -1 3 326.441 2.672 20 30 EFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)NCCCC)C1=O ZINC000915876687 727246826 /nfs/dbraw/zinc/24/68/26/727246826.db2.gz GIBZNJPAVICCDF-INIZCTEOSA-N -1 3 326.441 2.672 20 30 EFEDHM C=CCC[C@H](NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908754391 727257141 /nfs/dbraw/zinc/25/71/41/727257141.db2.gz UBYZUWCYVZYBAZ-IRXDYDNUSA-N -1 3 347.459 2.570 20 30 EFEDHM C=CCC[C@H](NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908754389 727257179 /nfs/dbraw/zinc/25/71/79/727257179.db2.gz UBYZUWCYVZYBAZ-DLBZAZTESA-N -1 3 347.459 2.570 20 30 EFEDHM C=CCC[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000909718921 727368227 /nfs/dbraw/zinc/36/82/27/727368227.db2.gz USXSJQGLKLIOEQ-NVXWUHKLSA-N -1 3 348.418 2.573 20 30 EFEDHM C#CCN1CCC(C(=O)N[C@H](CCC(=O)[O-])CC2CCCCC2)CC1 ZINC000909845283 727389433 /nfs/dbraw/zinc/38/94/33/727389433.db2.gz SKGLCIFUOMIAHW-GOSISDBHSA-N -1 3 348.487 2.652 20 30 EFEDHM CC(=NNC(=S)NC[C@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000916312075 727676274 /nfs/dbraw/zinc/67/62/74/727676274.db2.gz XHOPPNGMJUNLRM-CQSZACIVSA-N -1 3 343.452 2.913 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913301799 727814629 /nfs/dbraw/zinc/81/46/29/727814629.db2.gz BJRUBEPPGMZNNK-LBPRGKRZSA-N -1 3 331.372 2.640 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913301799 727814631 /nfs/dbraw/zinc/81/46/31/727814631.db2.gz BJRUBEPPGMZNNK-LBPRGKRZSA-N -1 3 331.372 2.640 20 30 EFEDHM Cc1cc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1O ZINC000913530379 727867174 /nfs/dbraw/zinc/86/71/74/727867174.db2.gz FERLBJTYNJCLOV-UHFFFAOYSA-N -1 3 339.395 2.885 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCCCC)ccc1F ZINC000045267601 727994618 /nfs/dbraw/zinc/99/46/18/727994618.db2.gz MCHAYZAPRPNICO-UHFFFAOYSA-N -1 3 342.436 2.600 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC(F)(F)F ZINC000157575102 728162922 /nfs/dbraw/zinc/16/29/22/728162922.db2.gz DTPFAKYDSRXDTM-UHFFFAOYSA-N -1 3 330.306 2.682 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000129912027 728411631 /nfs/dbraw/zinc/41/16/31/728411631.db2.gz VQUFWHJRJWNDNK-ZDUSSCGKSA-N -1 3 339.307 2.565 20 30 EFEDHM Cc1nc(C)c(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000170686568 728464885 /nfs/dbraw/zinc/46/48/85/728464885.db2.gz RNJQWJJFMXFMFU-UHFFFAOYSA-N -1 3 345.424 2.613 20 30 EFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000172253252 728576603 /nfs/dbraw/zinc/57/66/03/728576603.db2.gz JTBOEVJOTXXCNB-UHFFFAOYSA-N -1 3 335.316 2.715 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CSCc2ccccc21 ZINC000920383783 729178062 /nfs/dbraw/zinc/17/80/62/729178062.db2.gz LBKBZYALAYBGGO-UHFFFAOYSA-N -1 3 332.450 2.757 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(-n3ccnc3)c(F)c2)c1[O-] ZINC000920386491 729178102 /nfs/dbraw/zinc/17/81/02/729178102.db2.gz ANMQIVYYOQENBQ-NKVSQWTQSA-N -1 3 340.358 2.532 20 30 EFEDHM COc1cc(C)ccc1C(C)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920383698 729178207 /nfs/dbraw/zinc/17/82/07/729178207.db2.gz NGCRYHRYGGRPEW-UHFFFAOYSA-N -1 3 332.425 2.847 20 30 EFEDHM CNC(=O)C1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCC1 ZINC000901379040 729181406 /nfs/dbraw/zinc/18/14/06/729181406.db2.gz UPRSZJPAKFPGMM-UHFFFAOYSA-N -1 3 331.199 2.628 20 30 EFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000233357617 729489494 /nfs/dbraw/zinc/48/94/94/729489494.db2.gz BMXWNGUWCZSOEV-SECBINFHSA-N -1 3 336.276 2.899 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000819750254 945279479 /nfs/dbraw/zinc/27/94/79/945279479.db2.gz BJFFBHAGUSOOAH-OAHLLOKOSA-N -1 3 338.396 2.681 20 30 EFEDHM CC(=O)c1ccc(C#N)c(N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824019981 946558097 /nfs/dbraw/zinc/55/80/97/946558097.db2.gz XFEFFEKGAGRQJA-UHFFFAOYSA-N -1 3 332.367 2.577 20 30 EFEDHM CC(=O)c1ccc(C#N)c(N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824019981 946558105 /nfs/dbraw/zinc/55/81/05/946558105.db2.gz XFEFFEKGAGRQJA-UHFFFAOYSA-N -1 3 332.367 2.577 20 30 EFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cccc(C#N)c1C ZINC001573554568 946901736 /nfs/dbraw/zinc/90/17/36/946901736.db2.gz XOZMHFJHYJKSJB-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cccc(C#N)c1C ZINC001573554568 946901741 /nfs/dbraw/zinc/90/17/41/946901741.db2.gz XOZMHFJHYJKSJB-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM C=C[C@H](C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccccc1 ZINC001573300504 947113919 /nfs/dbraw/zinc/11/39/19/947113919.db2.gz KZAHQTAVQMILPR-HNNXBMFYSA-N -1 3 331.379 2.679 20 30 EFEDHM C=C[C@H](C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccccc1 ZINC001573300504 947113931 /nfs/dbraw/zinc/11/39/31/947113931.db2.gz KZAHQTAVQMILPR-HNNXBMFYSA-N -1 3 331.379 2.679 20 30 EFEDHM CN(CCC#N)c1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825914533 947366798 /nfs/dbraw/zinc/36/67/98/947366798.db2.gz IVRYCEADTXECQH-UHFFFAOYSA-N -1 3 333.399 2.829 20 30 EFEDHM CN(CCC#N)c1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825914533 947366809 /nfs/dbraw/zinc/36/68/09/947366809.db2.gz IVRYCEADTXECQH-UHFFFAOYSA-N -1 3 333.399 2.829 20 30 EFEDHM C=CCCOCCNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001573342493 947541318 /nfs/dbraw/zinc/54/13/18/947541318.db2.gz ZMTUXRNNLLOTIW-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=CCCOCCNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001573342493 947541328 /nfs/dbraw/zinc/54/13/28/947541328.db2.gz ZMTUXRNNLLOTIW-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=CCOc1cccc(NC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001573348045 947579336 /nfs/dbraw/zinc/57/93/36/947579336.db2.gz LTXQKOGJVSOTHZ-UHFFFAOYSA-N -1 3 327.369 2.745 20 30 EFEDHM CC(=O)[C@@](C#N)(CCN1CCC(C)(C(=O)[O-])CC1)c1ccccc1 ZINC001602737068 971427801 /nfs/dbraw/zinc/42/78/01/971427801.db2.gz GOYQIJGHNWEURA-IBGZPJMESA-N -1 3 328.412 2.614 20 30 EFEDHM CC(C)c1ncsc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001574433924 948970202 /nfs/dbraw/zinc/97/02/02/948970202.db2.gz WEQPCGJDOWTKFC-UHFFFAOYSA-N -1 3 339.384 2.571 20 30 EFEDHM CC(C)c1ncsc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001574433924 948970213 /nfs/dbraw/zinc/97/02/13/948970213.db2.gz WEQPCGJDOWTKFC-UHFFFAOYSA-N -1 3 339.384 2.571 20 30 EFEDHM CC[C@]1(C(=O)[O-])CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC001589606555 949288116 /nfs/dbraw/zinc/28/81/16/949288116.db2.gz VCOJYUIVRILUKB-SFHVURJKSA-N -1 3 340.383 2.685 20 30 EFEDHM C[C@@H](CC#N)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC001574471827 949539750 /nfs/dbraw/zinc/53/97/50/949539750.db2.gz NHKJRLOSEMWZOS-LBPRGKRZSA-N -1 3 336.355 2.543 20 30 EFEDHM C[C@@H](CC#N)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC001574471827 949539767 /nfs/dbraw/zinc/53/97/67/949539767.db2.gz NHKJRLOSEMWZOS-LBPRGKRZSA-N -1 3 336.355 2.543 20 30 EFEDHM O=C([O-])CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923273235 957112921 /nfs/dbraw/zinc/11/29/21/957112921.db2.gz VBUGZSOUEDZJTQ-WDSKDSINSA-N -1 3 341.198 2.564 20 30 EFEDHM C#CCSCCNCc1ccc(C(=O)[O-])cc1Br ZINC000231954806 960232144 /nfs/dbraw/zinc/23/21/44/960232144.db2.gz QNMNRGDOYKIUKW-UHFFFAOYSA-N -1 3 328.231 2.603 20 30 EFEDHM C=CCN(CCc1ccco1)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC001573368678 963085062 /nfs/dbraw/zinc/08/50/62/963085062.db2.gz PAUCWWCSVAVHIU-UHFFFAOYSA-N -1 3 343.379 2.995 20 30 EFEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(CC(=O)[O-])CC1 ZINC001592225597 977410567 /nfs/dbraw/zinc/41/05/67/977410567.db2.gz CTZHLVRLXWLRRJ-LBPRGKRZSA-N -1 3 347.440 2.616 20 30 EFEDHM C[C@H](CC1(C#N)CCOCC1)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001592458842 978175135 /nfs/dbraw/zinc/17/51/35/978175135.db2.gz GIVUVWANAYHOBP-CYBMUJFWSA-N -1 3 343.427 2.846 20 30 EFEDHM C[C@](CCF)(NCc1ccc(C#N)cc1Br)C(=O)[O-] ZINC001592507934 978330373 /nfs/dbraw/zinc/33/03/73/978330373.db2.gz XBKNUAXNZOWFCF-CYBMUJFWSA-N -1 3 329.169 2.613 20 30 EFEDHM C#CCOc1ccccc1CN1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785014 980514707 /nfs/dbraw/zinc/51/47/07/980514707.db2.gz BBEHHFZJDZNZGK-OAHLLOKOSA-N -1 3 327.302 2.538 20 30 EFEDHM C=CCn1c(C)cc(C(=O)CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C ZINC000923529800 982859364 /nfs/dbraw/zinc/85/93/64/982859364.db2.gz RLKJQCPBKCKMLJ-DLBZAZTESA-N -1 3 330.428 2.516 20 30 EFEDHM CC[C@H](C)N[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccco1 ZINC001594994513 982876756 /nfs/dbraw/zinc/87/67/56/982876756.db2.gz NGBSRVSWDSVUCV-XHDPSFHLSA-N -1 3 328.372 2.786 20 30 EFEDHM C#CCC1(NCC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCC1 ZINC001588428026 983459454 /nfs/dbraw/zinc/45/94/54/983459454.db2.gz XWVJPXQYHVCZGV-UHFFFAOYSA-N -1 3 346.452 2.799 20 30 EFEDHM C#CCN(C)CCCNC(=O)Nc1ccc(C(=O)[O-])c2ccccc12 ZINC001588464050 983493454 /nfs/dbraw/zinc/49/34/54/983493454.db2.gz UFOBOVXKUVBXQO-UHFFFAOYSA-N -1 3 339.395 2.615 20 30 EFEDHM C#CCN1CCC(C(=O)Nc2cccc3cc(C(=O)[O-])sc32)CC1 ZINC001588471496 983506461 /nfs/dbraw/zinc/50/64/61/983506461.db2.gz RICUFQNWIMLKLP-UHFFFAOYSA-N -1 3 342.420 2.883 20 30 EFEDHM C=C(C)C[C@H](CO)NCc1ccc(C(=O)[O-])cc1Br ZINC001588537432 983599950 /nfs/dbraw/zinc/59/99/50/983599950.db2.gz POQSQTNTACXJQW-GFCCVEGCSA-N -1 3 328.206 2.564 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001588621801 983720546 /nfs/dbraw/zinc/72/05/46/983720546.db2.gz KESIWZFCQKISPT-KRWDZBQOSA-N -1 3 330.428 2.751 20 30 EFEDHM C=CCCC[C@@H](N)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001588786124 984183101 /nfs/dbraw/zinc/18/31/01/984183101.db2.gz MHPYUQRYRDCVGO-SJORKVTESA-N -1 3 326.396 2.765 20 30 EFEDHM C=CCN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@H](C)COC ZINC001588828659 984308416 /nfs/dbraw/zinc/30/84/16/984308416.db2.gz HLRHFAPRDJJNQZ-GFCCVEGCSA-N -1 3 327.808 2.940 20 30 EFEDHM C=CCOC[C@H](NCc1c(C)ccc(Br)c1F)C(=O)[O-] ZINC001588866386 984424411 /nfs/dbraw/zinc/42/44/11/984424411.db2.gz NRVHABWCGOAURZ-LBPRGKRZSA-N -1 3 346.196 2.642 20 30 EFEDHM CC(C)(C)OC(=O)[C@H]1CCCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590358120 989802046 /nfs/dbraw/zinc/80/20/46/989802046.db2.gz TYNKMPCPJOTYQP-HOTGVXAUSA-N -1 3 344.411 2.738 20 30 EFEDHM CN(CC(=O)C(C#N)c1nc2ccccc2s1)C(C)(C)CC(=O)[O-] ZINC001598376006 991563395 /nfs/dbraw/zinc/56/33/95/991563395.db2.gz LEOAFPGDDOJNRB-NSHDSACASA-N -1 3 345.424 2.658 20 30 EFEDHM CN(CCc1cccc(C#N)c1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001598500052 992422576 /nfs/dbraw/zinc/42/25/76/992422576.db2.gz BQHGKEXJFYDLHZ-UHFFFAOYSA-N -1 3 334.379 2.738 20 30 EFEDHM CN(CCc1cccc(C#N)c1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC001598500274 992426559 /nfs/dbraw/zinc/42/65/59/992426559.db2.gz PFRLLSJFUVKIFM-UHFFFAOYSA-N -1 3 334.379 2.738 20 30 EFEDHM CN1CC[C@H](NCc2cccc(C(=O)[O-])c2C#N)[C@H]1c1ccccc1 ZINC001598588537 993418619 /nfs/dbraw/zinc/41/86/19/993418619.db2.gz ZNGQDIWCOOEFLX-RBUKOAKNSA-N -1 3 335.407 2.791 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2ncn(C)c2c1 ZINC001646542464 1087853725 /nfs/dbraw/zinc/85/37/25/1087853725.db2.gz MJROHYUOHSNTCH-UHFFFAOYSA-N -1 3 349.394 2.734 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)o1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001577832754 1090197681 /nfs/dbraw/zinc/19/76/81/1090197681.db2.gz NHHBIMVHHNEXFY-UHFFFAOYSA-N -1 3 342.746 2.651 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)o1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001577832754 1090197687 /nfs/dbraw/zinc/19/76/87/1090197687.db2.gz NHHBIMVHHNEXFY-UHFFFAOYSA-N -1 3 342.746 2.651 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001579967171 1090734402 /nfs/dbraw/zinc/73/44/02/1090734402.db2.gz PSEUYSYSHLWNBW-AWEZNQCLSA-N -1 3 348.366 2.511 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001579967171 1090734404 /nfs/dbraw/zinc/73/44/04/1090734404.db2.gz PSEUYSYSHLWNBW-AWEZNQCLSA-N -1 3 348.366 2.511 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2csc(C#N)c2)c1-c1nnn[n-]1 ZINC001580523914 1090932209 /nfs/dbraw/zinc/93/22/09/1090932209.db2.gz OBMUTAJBORSYPF-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2csc(C#N)c2)c1-c1nn[n-]n1 ZINC001580523914 1090932213 /nfs/dbraw/zinc/93/22/13/1090932213.db2.gz OBMUTAJBORSYPF-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001580612344 1090966762 /nfs/dbraw/zinc/96/67/62/1090966762.db2.gz MRARGFFDGBVVHW-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001580612344 1090966764 /nfs/dbraw/zinc/96/67/64/1090966764.db2.gz MRARGFFDGBVVHW-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)N2Cc3ccc(C#N)cc3C2)cc(C)c1-c1nnn[n-]1 ZINC001580812628 1091017566 /nfs/dbraw/zinc/01/75/66/1091017566.db2.gz GJJGMWILQIYLNK-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(C(=O)N2Cc3ccc(C#N)cc3C2)cc(C)c1-c1nn[n-]n1 ZINC001580812628 1091017570 /nfs/dbraw/zinc/01/75/70/1091017570.db2.gz GJJGMWILQIYLNK-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(C(=O)Oc2cc(C)c(-c3nn[n-]n3)c(C)c2C)ncc1C#N ZINC001580889069 1091036832 /nfs/dbraw/zinc/03/68/32/1091036832.db2.gz LELASVHYUOCVGM-UHFFFAOYSA-N -1 3 348.366 2.586 20 30 EFEDHM Cc1cc(NC(=O)Cc2c(C)cc(C#N)cc2C)cc(-c2nnn[n-]2)c1 ZINC001580980534 1091054061 /nfs/dbraw/zinc/05/40/61/1091054061.db2.gz DVYGFNPIOQARBU-UHFFFAOYSA-N -1 3 346.394 2.845 20 30 EFEDHM Cc1cc(NC(=O)Cc2c(C)cc(C#N)cc2C)cc(-c2nn[n-]n2)c1 ZINC001580980534 1091054068 /nfs/dbraw/zinc/05/40/68/1091054068.db2.gz DVYGFNPIOQARBU-UHFFFAOYSA-N -1 3 346.394 2.845 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001581729339 1091272855 /nfs/dbraw/zinc/27/28/55/1091272855.db2.gz VMUZEYGKJXJGHU-UHFFFAOYSA-N -1 3 328.719 2.546 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001581729339 1091272861 /nfs/dbraw/zinc/27/28/61/1091272861.db2.gz VMUZEYGKJXJGHU-UHFFFAOYSA-N -1 3 328.719 2.546 20 30 EFEDHM N#Cc1c2c(sc1NC(=O)c1cscc1-c1nnn[n-]1)CCC2 ZINC001581861105 1091321431 /nfs/dbraw/zinc/32/14/31/1091321431.db2.gz JDZRSAKCCINNDL-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM N#Cc1c2c(sc1NC(=O)c1cscc1-c1nn[n-]n1)CCC2 ZINC001581861105 1091321440 /nfs/dbraw/zinc/32/14/40/1091321440.db2.gz JDZRSAKCCINNDL-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM N#CCN(C(=O)c1csc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001581858256 1091322734 /nfs/dbraw/zinc/32/27/34/1091322734.db2.gz XAOLDTWADFARKK-UHFFFAOYSA-N -1 3 344.787 2.752 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001581866735 1091323390 /nfs/dbraw/zinc/32/33/90/1091323390.db2.gz SBBPLORIJFKQRA-MAUKXSAKSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001581866735 1091323400 /nfs/dbraw/zinc/32/34/00/1091323400.db2.gz SBBPLORIJFKQRA-MAUKXSAKSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)cc1-c1nnn[n-]1 ZINC001581872615 1091326945 /nfs/dbraw/zinc/32/69/45/1091326945.db2.gz GAIIYQRUSTTXEY-CRAIPNDOSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)cc1-c1nn[n-]n1 ZINC001581872615 1091326947 /nfs/dbraw/zinc/32/69/47/1091326947.db2.gz GAIIYQRUSTTXEY-CRAIPNDOSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cnc3ccccc3c2)cc1-c1nnn[n-]1 ZINC001581872742 1091327924 /nfs/dbraw/zinc/32/79/24/1091327924.db2.gz JSCNERJQJVGZSR-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cnc3ccccc3c2)cc1-c1nn[n-]n1 ZINC001581872742 1091327936 /nfs/dbraw/zinc/32/79/36/1091327936.db2.gz JSCNERJQJVGZSR-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nnc(-c3ccncc3)s2)c1 ZINC001583128885 1091906716 /nfs/dbraw/zinc/90/67/16/1091906716.db2.gz NJCILXWVFRIIAW-UHFFFAOYSA-N -1 3 325.328 2.863 20 30 EFEDHM Cc1cc(C)cc(C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC001649708704 1092608360 /nfs/dbraw/zinc/60/83/60/1092608360.db2.gz AOJLULAXTKASMC-CQSZACIVSA-N -1 3 328.437 2.973 20 30 EFEDHM Brc1ccc(-c2nnn[n-]2)cc1C=NNCC1CCCC1 ZINC001588320589 1092919943 /nfs/dbraw/zinc/91/99/43/1092919943.db2.gz DGWJEVFNDMVLDZ-UHFFFAOYSA-N -1 3 349.236 2.743 20 30 EFEDHM Brc1ccc(-c2nn[n-]n2)cc1C=NNCC1CCCC1 ZINC001588320589 1092919948 /nfs/dbraw/zinc/91/99/48/1092919948.db2.gz DGWJEVFNDMVLDZ-UHFFFAOYSA-N -1 3 349.236 2.743 20 30 EFEDHM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588326432 1092925723 /nfs/dbraw/zinc/92/57/23/1092925723.db2.gz LTBCMNDMKMUSAO-GFCCVEGCSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588326432 1092925733 /nfs/dbraw/zinc/92/57/33/1092925733.db2.gz LTBCMNDMKMUSAO-GFCCVEGCSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588328759 1092926568 /nfs/dbraw/zinc/92/65/68/1092926568.db2.gz PSXRKJHZMZVDAN-CYBMUJFWSA-N -1 3 338.302 2.700 20 30 EFEDHM C#C[C@@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588328759 1092926577 /nfs/dbraw/zinc/92/65/77/1092926577.db2.gz PSXRKJHZMZVDAN-CYBMUJFWSA-N -1 3 338.302 2.700 20 30 EFEDHM C#CC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC001588333621 1092927966 /nfs/dbraw/zinc/92/79/66/1092927966.db2.gz ZOHMKFAPEKCAML-UHFFFAOYSA-N -1 3 330.779 2.588 20 30 EFEDHM C#CC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC001588333621 1092927977 /nfs/dbraw/zinc/92/79/77/1092927977.db2.gz ZOHMKFAPEKCAML-UHFFFAOYSA-N -1 3 330.779 2.588 20 30 EFEDHM C#CCC1(NC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588335045 1092928039 /nfs/dbraw/zinc/92/80/39/1092928039.db2.gz VTIZVNOFLKTLOJ-UHFFFAOYSA-N -1 3 342.378 2.854 20 30 EFEDHM C#CCC1(NC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588335045 1092928047 /nfs/dbraw/zinc/92/80/47/1092928047.db2.gz VTIZVNOFLKTLOJ-UHFFFAOYSA-N -1 3 342.378 2.854 20 30 EFEDHM C#CC[C@@H]1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588336583 1092929314 /nfs/dbraw/zinc/92/93/14/1092929314.db2.gz CCIYGQRWGOLPMH-SNVBAGLBSA-N -1 3 346.847 2.562 20 30 EFEDHM C#CC[C@@H]1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588336583 1092929317 /nfs/dbraw/zinc/92/93/17/1092929317.db2.gz CCIYGQRWGOLPMH-SNVBAGLBSA-N -1 3 346.847 2.562 20 30 EFEDHM C#CCC[C@H](C)OC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588337560 1092929401 /nfs/dbraw/zinc/92/94/01/1092929401.db2.gz SEPGOEKSOXAGRW-NSHDSACASA-N -1 3 330.363 2.629 20 30 EFEDHM C#CCC[C@H](C)OC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588337560 1092929409 /nfs/dbraw/zinc/92/94/09/1092929409.db2.gz SEPGOEKSOXAGRW-NSHDSACASA-N -1 3 330.363 2.629 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588333840 1092929691 /nfs/dbraw/zinc/92/96/91/1092929691.db2.gz GDAFECXBHYDZHA-KRWDZBQOSA-N -1 3 346.390 2.967 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588333840 1092929699 /nfs/dbraw/zinc/92/96/99/1092929699.db2.gz GDAFECXBHYDZHA-KRWDZBQOSA-N -1 3 346.390 2.967 20 30 EFEDHM C#C[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC001588331761 1092929817 /nfs/dbraw/zinc/92/98/17/1092929817.db2.gz CZYPJOGPKQJLRI-ZDUSSCGKSA-N -1 3 346.232 2.617 20 30 EFEDHM C#C[C@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC001588331761 1092929823 /nfs/dbraw/zinc/92/98/23/1092929823.db2.gz CZYPJOGPKQJLRI-ZDUSSCGKSA-N -1 3 346.232 2.617 20 30 EFEDHM C#CCCCCCC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588345237 1092931076 /nfs/dbraw/zinc/93/10/76/1092931076.db2.gz WATYKGXOCHXITO-UHFFFAOYSA-N -1 3 337.427 2.946 20 30 EFEDHM C#CCCCCCC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588345237 1092931080 /nfs/dbraw/zinc/93/10/80/1092931080.db2.gz WATYKGXOCHXITO-UHFFFAOYSA-N -1 3 337.427 2.946 20 30 EFEDHM C#CCOc1ccccc1NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588362979 1092931174 /nfs/dbraw/zinc/93/11/74/1092931174.db2.gz CCSZJTQZEUVOSE-UHFFFAOYSA-N -1 3 348.366 2.831 20 30 EFEDHM C#CCOc1ccccc1NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588362979 1092931179 /nfs/dbraw/zinc/93/11/79/1092931179.db2.gz CCSZJTQZEUVOSE-UHFFFAOYSA-N -1 3 348.366 2.831 20 30 EFEDHM C#CCCCCCOC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588345449 1092933148 /nfs/dbraw/zinc/93/31/48/1092933148.db2.gz AHEHDGGWLZNVJO-UHFFFAOYSA-N -1 3 344.440 2.837 20 30 EFEDHM C#CCCCCCOC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588345449 1092933151 /nfs/dbraw/zinc/93/31/51/1092933151.db2.gz AHEHDGGWLZNVJO-UHFFFAOYSA-N -1 3 344.440 2.837 20 30 EFEDHM C#CCOc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001588361776 1092933200 /nfs/dbraw/zinc/93/32/00/1092933200.db2.gz IXZLZWBLZGFQQD-UHFFFAOYSA-N -1 3 348.362 2.544 20 30 EFEDHM C#CCOc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001588361776 1092933222 /nfs/dbraw/zinc/93/32/22/1092933222.db2.gz IXZLZWBLZGFQQD-UHFFFAOYSA-N -1 3 348.362 2.544 20 30 EFEDHM C#Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588374567 1092933701 /nfs/dbraw/zinc/93/37/01/1092933701.db2.gz BKSZTACKVGITEK-UHFFFAOYSA-N -1 3 335.392 2.579 20 30 EFEDHM C#Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588374567 1092933711 /nfs/dbraw/zinc/93/37/11/1092933711.db2.gz BKSZTACKVGITEK-UHFFFAOYSA-N -1 3 335.392 2.579 20 30 EFEDHM C#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC001588374625 1092933728 /nfs/dbraw/zinc/93/37/28/1092933728.db2.gz DZOSGVCKHGTDHE-UHFFFAOYSA-N -1 3 329.772 2.815 20 30 EFEDHM C#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC001588374625 1092933739 /nfs/dbraw/zinc/93/37/39/1092933739.db2.gz DZOSGVCKHGTDHE-UHFFFAOYSA-N -1 3 329.772 2.815 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC001588374813 1092934452 /nfs/dbraw/zinc/93/44/52/1092934452.db2.gz PGJUZKVOWXYGRA-UHFFFAOYSA-N -1 3 332.367 2.825 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC001588374813 1092934459 /nfs/dbraw/zinc/93/44/59/1092934459.db2.gz PGJUZKVOWXYGRA-UHFFFAOYSA-N -1 3 332.367 2.825 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588374771 1092935004 /nfs/dbraw/zinc/93/50/04/1092935004.db2.gz NIARPAGKKPRAFS-LBPRGKRZSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588374771 1092935015 /nfs/dbraw/zinc/93/50/15/1092935015.db2.gz NIARPAGKKPRAFS-LBPRGKRZSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1cccc(N(CC)Cc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC001588374639 1092935038 /nfs/dbraw/zinc/93/50/38/1092935038.db2.gz FUDPUJQQWYQWRK-UHFFFAOYSA-N -1 3 333.395 2.883 20 30 EFEDHM C#Cc1cccc(N(CC)Cc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC001588374639 1092935047 /nfs/dbraw/zinc/93/50/47/1092935047.db2.gz FUDPUJQQWYQWRK-UHFFFAOYSA-N -1 3 333.395 2.883 20 30 EFEDHM C#Cc1ccc(Nc2cc(-c3nnn[n-]3)c(Br)cn2)cc1 ZINC001588374855 1092935101 /nfs/dbraw/zinc/93/51/01/1092935101.db2.gz SNZRWNZKOSVNIN-UHFFFAOYSA-N -1 3 341.172 2.749 20 30 EFEDHM C#Cc1ccc(Nc2cc(-c3nn[n-]n3)c(Br)cn2)cc1 ZINC001588374855 1092935111 /nfs/dbraw/zinc/93/51/11/1092935111.db2.gz SNZRWNZKOSVNIN-UHFFFAOYSA-N -1 3 341.172 2.749 20 30 EFEDHM C#Cc1cc(F)c(NCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC001588364879 1092935258 /nfs/dbraw/zinc/93/52/58/1092935258.db2.gz KDVPPIWPFUXQSL-UHFFFAOYSA-N -1 3 329.285 2.877 20 30 EFEDHM C#Cc1cc(F)c(NCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC001588364879 1092935276 /nfs/dbraw/zinc/93/52/76/1092935276.db2.gz KDVPPIWPFUXQSL-UHFFFAOYSA-N -1 3 329.285 2.877 20 30 EFEDHM C#Cc1ccc(NC(=O)c2csc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001588374906 1092935540 /nfs/dbraw/zinc/93/55/40/1092935540.db2.gz VYDWOEJSVPSQSX-UHFFFAOYSA-N -1 3 329.772 2.815 20 30 EFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccccc2)nc1 ZINC001588381782 1092936401 /nfs/dbraw/zinc/93/64/01/1092936401.db2.gz UVACFJKEDUYRHP-UHFFFAOYSA-N -1 3 342.366 2.770 20 30 EFEDHM c1cc(N=NCCCc2ccc3c(c2)CCO3)cc(-c2nnn[n-]2)c1 ZINC001588384482 1092938675 /nfs/dbraw/zinc/93/86/75/1092938675.db2.gz QKQSMJCONTXODE-UHFFFAOYSA-N -1 3 334.383 2.832 20 30 EFEDHM c1cc(N=NCCCc2ccc3c(c2)CCO3)cc(-c2nn[n-]n2)c1 ZINC001588384482 1092938685 /nfs/dbraw/zinc/93/86/85/1092938685.db2.gz QKQSMJCONTXODE-UHFFFAOYSA-N -1 3 334.383 2.832 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588400694 1092940037 /nfs/dbraw/zinc/94/00/37/1092940037.db2.gz DRJKSMRVSQKZKD-GXFFZTMASA-N -1 3 334.811 2.617 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588400694 1092940051 /nfs/dbraw/zinc/94/00/51/1092940051.db2.gz DRJKSMRVSQKZKD-GXFFZTMASA-N -1 3 334.811 2.617 20 30 EFEDHM C=C(Br)COc1c(C(=O)CC)cccc1-c1nnn[n-]1 ZINC001588392184 1092940480 /nfs/dbraw/zinc/94/04/80/1092940480.db2.gz WCCWMJCEKQWXNG-UHFFFAOYSA-N -1 3 337.177 2.747 20 30 EFEDHM C=C(Br)COc1c(C(=O)CC)cccc1-c1nn[n-]n1 ZINC001588392184 1092940487 /nfs/dbraw/zinc/94/04/87/1092940487.db2.gz WCCWMJCEKQWXNG-UHFFFAOYSA-N -1 3 337.177 2.747 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588400693 1092940965 /nfs/dbraw/zinc/94/09/65/1092940965.db2.gz DRJKSMRVSQKZKD-GWCFXTLKSA-N -1 3 334.811 2.617 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588400693 1092940975 /nfs/dbraw/zinc/94/09/75/1092940975.db2.gz DRJKSMRVSQKZKD-GWCFXTLKSA-N -1 3 334.811 2.617 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001588401672 1092941935 /nfs/dbraw/zinc/94/19/35/1092941935.db2.gz WVZQUXDHFYMVOQ-YOEHRIQHSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001588401672 1092941940 /nfs/dbraw/zinc/94/19/40/1092941940.db2.gz WVZQUXDHFYMVOQ-YOEHRIQHSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001588401669 1092942268 /nfs/dbraw/zinc/94/22/68/1092942268.db2.gz WVZQUXDHFYMVOQ-PBHICJAKSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001588401669 1092942278 /nfs/dbraw/zinc/94/22/78/1092942278.db2.gz WVZQUXDHFYMVOQ-PBHICJAKSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)CCC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001588418208 1092942487 /nfs/dbraw/zinc/94/24/87/1092942487.db2.gz VBBDBOPCWXMSKA-UHFFFAOYSA-N -1 3 331.445 2.572 20 30 EFEDHM C=C(C)CCC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001588418208 1092942494 /nfs/dbraw/zinc/94/24/94/1092942494.db2.gz VBBDBOPCWXMSKA-UHFFFAOYSA-N -1 3 331.445 2.572 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001588401670 1092942525 /nfs/dbraw/zinc/94/25/25/1092942525.db2.gz WVZQUXDHFYMVOQ-RHSMWYFYSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001588401670 1092942528 /nfs/dbraw/zinc/94/25/28/1092942528.db2.gz WVZQUXDHFYMVOQ-RHSMWYFYSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001588401671 1092943426 /nfs/dbraw/zinc/94/34/26/1092943426.db2.gz WVZQUXDHFYMVOQ-WMLDXEAASA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001588401671 1092943434 /nfs/dbraw/zinc/94/34/34/1092943434.db2.gz WVZQUXDHFYMVOQ-WMLDXEAASA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@@H](CC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1)OCC ZINC001588402677 1092943498 /nfs/dbraw/zinc/94/34/98/1092943498.db2.gz JNOCRCJWXPSKQO-CZUORRHYSA-N -1 3 343.431 2.757 20 30 EFEDHM C=C(C)[C@@H](CC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1)OCC ZINC001588402677 1092943502 /nfs/dbraw/zinc/94/35/02/1092943502.db2.gz JNOCRCJWXPSKQO-CZUORRHYSA-N -1 3 343.431 2.757 20 30 EFEDHM C=C(C)CONC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588429308 1092944149 /nfs/dbraw/zinc/94/41/49/1092944149.db2.gz HHLDPVJBCLKGPU-UHFFFAOYSA-N -1 3 342.281 2.515 20 30 EFEDHM C=C(C)CONC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588429308 1092944157 /nfs/dbraw/zinc/94/41/57/1092944157.db2.gz HHLDPVJBCLKGPU-UHFFFAOYSA-N -1 3 342.281 2.515 20 30 EFEDHM C=C(C)CCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588425316 1092944397 /nfs/dbraw/zinc/94/43/97/1092944397.db2.gz ZWDFXUSPXAKKAY-UHFFFAOYSA-N -1 3 326.187 2.870 20 30 EFEDHM C=C(C)CCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588425316 1092944407 /nfs/dbraw/zinc/94/44/07/1092944407.db2.gz ZWDFXUSPXAKKAY-UHFFFAOYSA-N -1 3 326.187 2.870 20 30 EFEDHM C=C(C)CNC(=S)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588431037 1092945606 /nfs/dbraw/zinc/94/56/06/1092945606.db2.gz VVWFMHDOBWUILX-UHFFFAOYSA-N -1 3 332.433 2.516 20 30 EFEDHM C=C(C)CNC(=S)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588431037 1092945615 /nfs/dbraw/zinc/94/56/15/1092945615.db2.gz VVWFMHDOBWUILX-UHFFFAOYSA-N -1 3 332.433 2.516 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001588448828 1092947900 /nfs/dbraw/zinc/94/79/00/1092947900.db2.gz FUABZPPJQLPSHI-UHFFFAOYSA-N -1 3 337.427 2.929 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001588448828 1092947905 /nfs/dbraw/zinc/94/79/05/1092947905.db2.gz FUABZPPJQLPSHI-UHFFFAOYSA-N -1 3 337.427 2.929 20 30 EFEDHM C=C(CC)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588443405 1092948207 /nfs/dbraw/zinc/94/82/07/1092948207.db2.gz ZXCXVZVWLRZPEZ-UHFFFAOYSA-N -1 3 336.355 2.959 20 30 EFEDHM C=C(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588443405 1092948217 /nfs/dbraw/zinc/94/82/17/1092948217.db2.gz ZXCXVZVWLRZPEZ-UHFFFAOYSA-N -1 3 336.355 2.959 20 30 EFEDHM C=C[C@H](C(=O)N1CCc2c1cccc2-c1nnn[n-]1)c1ccccc1 ZINC001588467136 1092948866 /nfs/dbraw/zinc/94/88/66/1092948866.db2.gz CYKQGKNEYRTCNY-AWEZNQCLSA-N -1 3 331.379 2.726 20 30 EFEDHM C=C[C@H](C(=O)N1CCc2c1cccc2-c1nn[n-]n1)c1ccccc1 ZINC001588467136 1092948877 /nfs/dbraw/zinc/94/88/77/1092948877.db2.gz CYKQGKNEYRTCNY-AWEZNQCLSA-N -1 3 331.379 2.726 20 30 EFEDHM C=C1CCC(CNC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001588462943 1092949211 /nfs/dbraw/zinc/94/92/11/1092949211.db2.gz YBWMNFVXKUHELS-UHFFFAOYSA-N -1 3 338.415 2.638 20 30 EFEDHM C=C1CCC(CNC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001588462943 1092949221 /nfs/dbraw/zinc/94/92/21/1092949221.db2.gz YBWMNFVXKUHELS-UHFFFAOYSA-N -1 3 338.415 2.638 20 30 EFEDHM C=C[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001588468823 1092950385 /nfs/dbraw/zinc/95/03/85/1092950385.db2.gz XSJPNYFEZPCXLV-OAHLLOKOSA-N -1 3 337.358 2.592 20 30 EFEDHM C=C[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001588468823 1092950389 /nfs/dbraw/zinc/95/03/89/1092950389.db2.gz XSJPNYFEZPCXLV-OAHLLOKOSA-N -1 3 337.358 2.592 20 30 EFEDHM C=C[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588467925 1092950585 /nfs/dbraw/zinc/95/05/85/1092950585.db2.gz NRBHMYRIAUHFJL-QGZVFWFLSA-N -1 3 333.395 2.795 20 30 EFEDHM C=C[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588467925 1092950590 /nfs/dbraw/zinc/95/05/90/1092950590.db2.gz NRBHMYRIAUHFJL-QGZVFWFLSA-N -1 3 333.395 2.795 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588487493 1092950826 /nfs/dbraw/zinc/95/08/26/1092950826.db2.gz SUQKQUOVOHLIFB-UHFFFAOYSA-N -1 3 334.811 2.637 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588487493 1092950836 /nfs/dbraw/zinc/95/08/36/1092950836.db2.gz SUQKQUOVOHLIFB-UHFFFAOYSA-N -1 3 334.811 2.637 20 30 EFEDHM C=C[C@@](C)(CC)COC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588495635 1092951927 /nfs/dbraw/zinc/95/19/27/1092951927.db2.gz HEJUYKSSYXAYBR-SJCJKPOMSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@](C)(CC)COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588495636 1092952733 /nfs/dbraw/zinc/95/27/33/1092952733.db2.gz HEJUYKSSYXAYBR-SJKOYZFVSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588493627 1092952754 /nfs/dbraw/zinc/95/27/54/1092952754.db2.gz IVNXHNLPADUBLK-KRWDZBQOSA-N -1 3 346.410 2.526 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588493627 1092952764 /nfs/dbraw/zinc/95/27/64/1092952764.db2.gz IVNXHNLPADUBLK-KRWDZBQOSA-N -1 3 346.410 2.526 20 30 EFEDHM C=C[C@](C)(CC)COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588495375 1092953276 /nfs/dbraw/zinc/95/32/76/1092953276.db2.gz CTCAPDYDAMFCRL-SJKOYZFVSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@](C)(CC)COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588495375 1092953285 /nfs/dbraw/zinc/95/32/85/1092953285.db2.gz CTCAPDYDAMFCRL-SJKOYZFVSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588518366 1092953387 /nfs/dbraw/zinc/95/33/87/1092953387.db2.gz BCGSMYLJBPUENB-NSHDSACASA-N -1 3 337.339 2.785 20 30 EFEDHM C=C[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588518366 1092953399 /nfs/dbraw/zinc/95/33/99/1092953399.db2.gz BCGSMYLJBPUENB-NSHDSACASA-N -1 3 337.339 2.785 20 30 EFEDHM C=CCC(F)(F)C(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001588546092 1092957055 /nfs/dbraw/zinc/95/70/55/1092957055.db2.gz XDDHGLYOYHTMNO-UHFFFAOYSA-N -1 3 333.342 2.964 20 30 EFEDHM C=CCC(F)(F)C(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001588546092 1092957066 /nfs/dbraw/zinc/95/70/66/1092957066.db2.gz XDDHGLYOYHTMNO-UHFFFAOYSA-N -1 3 333.342 2.964 20 30 EFEDHM C=CC[C@H](CC)NC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588541842 1092957340 /nfs/dbraw/zinc/95/73/40/1092957340.db2.gz TVYMZLRISZXHAT-HNNXBMFYSA-N -1 3 342.447 2.842 20 30 EFEDHM C=CC[C@H](CC)NC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588541842 1092957344 /nfs/dbraw/zinc/95/73/44/1092957344.db2.gz TVYMZLRISZXHAT-HNNXBMFYSA-N -1 3 342.447 2.842 20 30 EFEDHM C=CCC(CC=C)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001588544663 1092958279 /nfs/dbraw/zinc/95/82/79/1092958279.db2.gz OVATVBMQIAOOBY-UHFFFAOYSA-N -1 3 340.431 2.948 20 30 EFEDHM C=CCC(CC=C)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001588544663 1092958281 /nfs/dbraw/zinc/95/82/81/1092958281.db2.gz OVATVBMQIAOOBY-UHFFFAOYSA-N -1 3 340.431 2.948 20 30 EFEDHM C=CCC1(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588557064 1092958893 /nfs/dbraw/zinc/95/88/93/1092958893.db2.gz YGMAKJLNQYGDII-UHFFFAOYSA-N -1 3 328.372 2.535 20 30 EFEDHM C=CCC1(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CCCC1 ZINC001588557218 1092959104 /nfs/dbraw/zinc/95/91/04/1092959104.db2.gz IDSSKNKMEVQLPT-UHFFFAOYSA-N -1 3 342.403 2.886 20 30 EFEDHM C=CCC1(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CCCC1 ZINC001588557218 1092959113 /nfs/dbraw/zinc/95/91/13/1092959113.db2.gz IDSSKNKMEVQLPT-UHFFFAOYSA-N -1 3 342.403 2.886 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588558572 1092959934 /nfs/dbraw/zinc/95/99/34/1092959934.db2.gz AMRGZTNPICVKMJ-IUODEOHRSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588558572 1092959944 /nfs/dbraw/zinc/95/99/44/1092959944.db2.gz AMRGZTNPICVKMJ-IUODEOHRSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CCC1(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)CCCC1 ZINC001588557271 1092960218 /nfs/dbraw/zinc/96/02/18/1092960218.db2.gz JKXYGOZZXAEWQX-UHFFFAOYSA-N -1 3 332.795 2.534 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588563963 1092960563 /nfs/dbraw/zinc/96/05/63/1092960563.db2.gz GXPDUJUOGLYCFT-CYBMUJFWSA-N -1 3 342.403 2.836 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588563963 1092960574 /nfs/dbraw/zinc/96/05/74/1092960574.db2.gz GXPDUJUOGLYCFT-CYBMUJFWSA-N -1 3 342.403 2.836 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588560538 1092960722 /nfs/dbraw/zinc/96/07/22/1092960722.db2.gz SEYRKUXPLRGEQQ-CJNGLKHVSA-N -1 3 340.431 2.530 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588563748 1092961921 /nfs/dbraw/zinc/96/19/21/1092961921.db2.gz AHAIHHHKAKRVMV-LLVKDONJSA-N -1 3 346.822 2.628 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588563748 1092961929 /nfs/dbraw/zinc/96/19/29/1092961929.db2.gz AHAIHHHKAKRVMV-LLVKDONJSA-N -1 3 346.822 2.628 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588558732 1092961977 /nfs/dbraw/zinc/96/19/77/1092961977.db2.gz CEHMRQYOEWJUML-RRQGHBQHSA-N -1 3 337.427 2.785 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588558732 1092961982 /nfs/dbraw/zinc/96/19/82/1092961982.db2.gz CEHMRQYOEWJUML-RRQGHBQHSA-N -1 3 337.427 2.785 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588561274 1092962053 /nfs/dbraw/zinc/96/20/53/1092962053.db2.gz YTOFBHPWTXJKRD-HOCLYGCPSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588561274 1092962064 /nfs/dbraw/zinc/96/20/64/1092962064.db2.gz YTOFBHPWTXJKRD-HOCLYGCPSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588565216 1092962954 /nfs/dbraw/zinc/96/29/54/1092962954.db2.gz XCKVFKSOOZPQHD-CHWSQXEVSA-N -1 3 326.404 2.535 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588565216 1092962966 /nfs/dbraw/zinc/96/29/66/1092962966.db2.gz XCKVFKSOOZPQHD-CHWSQXEVSA-N -1 3 326.404 2.535 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588565224 1092963087 /nfs/dbraw/zinc/96/30/87/1092963087.db2.gz XCKVFKSOOZPQHD-STQMWFEESA-N -1 3 326.404 2.535 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588565224 1092963099 /nfs/dbraw/zinc/96/30/99/1092963099.db2.gz XCKVFKSOOZPQHD-STQMWFEESA-N -1 3 326.404 2.535 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588579685 1092965614 /nfs/dbraw/zinc/96/56/14/1092965614.db2.gz RAKAAZRPRJOJBA-MRXNPFEDSA-N -1 3 325.416 2.757 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588579685 1092965624 /nfs/dbraw/zinc/96/56/24/1092965624.db2.gz RAKAAZRPRJOJBA-MRXNPFEDSA-N -1 3 325.416 2.757 20 30 EFEDHM C=CCCCCCN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001588593882 1092966071 /nfs/dbraw/zinc/96/60/71/1092966071.db2.gz KBOJYPMAXJSPCE-UHFFFAOYSA-N -1 3 331.380 2.540 20 30 EFEDHM C=CCCCCCN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001588593882 1092966079 /nfs/dbraw/zinc/96/60/79/1092966079.db2.gz KBOJYPMAXJSPCE-UHFFFAOYSA-N -1 3 331.380 2.540 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588594849 1092966250 /nfs/dbraw/zinc/96/62/50/1092966250.db2.gz UVSQRDNFGOQZCX-LLVKDONJSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588594849 1092966258 /nfs/dbraw/zinc/96/62/58/1092966258.db2.gz UVSQRDNFGOQZCX-LLVKDONJSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588594850 1092967190 /nfs/dbraw/zinc/96/71/90/1092967190.db2.gz UVSQRDNFGOQZCX-NSHDSACASA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588594850 1092967201 /nfs/dbraw/zinc/96/72/01/1092967201.db2.gz UVSQRDNFGOQZCX-NSHDSACASA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCCCSCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588601625 1092967799 /nfs/dbraw/zinc/96/77/99/1092967799.db2.gz RAIGFFIGNSWNMP-UHFFFAOYSA-N -1 3 331.445 2.572 20 30 EFEDHM C=CCCCCSCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588601625 1092967806 /nfs/dbraw/zinc/96/78/06/1092967806.db2.gz RAIGFFIGNSWNMP-UHFFFAOYSA-N -1 3 331.445 2.572 20 30 EFEDHM C=CCCCCNC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588596347 1092967989 /nfs/dbraw/zinc/96/79/89/1092967989.db2.gz OCCBFIDGESYATK-CYBMUJFWSA-N -1 3 328.420 2.925 20 30 EFEDHM C=CCCCCNC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588596347 1092967996 /nfs/dbraw/zinc/96/79/96/1092967996.db2.gz OCCBFIDGESYATK-CYBMUJFWSA-N -1 3 328.420 2.925 20 30 EFEDHM C=CCCSCCNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588617897 1092969106 /nfs/dbraw/zinc/96/91/06/1092969106.db2.gz GTTGOYMUGDTIAZ-UHFFFAOYSA-N -1 3 337.836 2.559 20 30 EFEDHM C=CCCSCCNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588617897 1092969110 /nfs/dbraw/zinc/96/91/10/1092969110.db2.gz GTTGOYMUGDTIAZ-UHFFFAOYSA-N -1 3 337.836 2.559 20 30 EFEDHM C=CCCSCCNC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588618107 1092969578 /nfs/dbraw/zinc/96/95/78/1092969578.db2.gz SMKUTSLICWVIQR-UHFFFAOYSA-N -1 3 331.445 2.523 20 30 EFEDHM C=CCCSCCNC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588618107 1092969590 /nfs/dbraw/zinc/96/95/90/1092969590.db2.gz SMKUTSLICWVIQR-UHFFFAOYSA-N -1 3 331.445 2.523 20 30 EFEDHM C=CCCSCCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588617888 1092970266 /nfs/dbraw/zinc/97/02/66/1092970266.db2.gz GIVDIJMVNFAGAE-GFCCVEGCSA-N -1 3 346.460 2.536 20 30 EFEDHM C=CCCSCCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588617888 1092970271 /nfs/dbraw/zinc/97/02/71/1092970271.db2.gz GIVDIJMVNFAGAE-GFCCVEGCSA-N -1 3 346.460 2.536 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001588610313 1092970644 /nfs/dbraw/zinc/97/06/44/1092970644.db2.gz ARBOXFQSINXGOC-JTQLQIEISA-N -1 3 347.444 2.727 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001588610313 1092970652 /nfs/dbraw/zinc/97/06/52/1092970652.db2.gz ARBOXFQSINXGOC-JTQLQIEISA-N -1 3 347.444 2.727 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCC1(C)C ZINC001588638672 1092972039 /nfs/dbraw/zinc/97/20/39/1092972039.db2.gz GWRSBIIVNNNEJQ-OAHLLOKOSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCC1(C)C ZINC001588638672 1092972047 /nfs/dbraw/zinc/97/20/47/1092972047.db2.gz GWRSBIIVNNNEJQ-OAHLLOKOSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(CC=C)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588632046 1092973124 /nfs/dbraw/zinc/97/31/24/1092973124.db2.gz QVYVEEVEXPFCCL-INIZCTEOSA-N -1 3 338.415 2.628 20 30 EFEDHM C=CCN(CC=C)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588632046 1092973132 /nfs/dbraw/zinc/97/31/32/1092973132.db2.gz QVYVEEVEXPFCCL-INIZCTEOSA-N -1 3 338.415 2.628 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1nnc(CC)o1 ZINC001588649014 1092973897 /nfs/dbraw/zinc/97/38/97/1092973897.db2.gz SXKOUQNIIYZQGG-GFCCVEGCSA-N -1 3 339.403 2.561 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1nnc(CC)o1 ZINC001588649014 1092973904 /nfs/dbraw/zinc/97/39/04/1092973904.db2.gz SXKOUQNIIYZQGG-GFCCVEGCSA-N -1 3 339.403 2.561 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)nc(C)c1 ZINC001588649439 1092976154 /nfs/dbraw/zinc/97/61/54/1092976154.db2.gz NQYJZUYKMUTTCP-UHFFFAOYSA-N -1 3 348.410 2.707 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)nc(C)c1 ZINC001588649439 1092976162 /nfs/dbraw/zinc/97/61/62/1092976162.db2.gz NQYJZUYKMUTTCP-UHFFFAOYSA-N -1 3 348.410 2.707 20 30 EFEDHM C=CCN(Cc1ccnn1C(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588649321 1092977077 /nfs/dbraw/zinc/97/70/77/1092977077.db2.gz ZATAHVUBIUFNIE-UHFFFAOYSA-N -1 3 337.431 2.832 20 30 EFEDHM C=CCN(Cc1ccnn1C(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588649321 1092977086 /nfs/dbraw/zinc/97/70/86/1092977086.db2.gz ZATAHVUBIUFNIE-UHFFFAOYSA-N -1 3 337.431 2.832 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2cccc(-c3nnn[n-]3)c2C)cc1 ZINC001588690310 1092980893 /nfs/dbraw/zinc/98/08/93/1092980893.db2.gz YKKMXJRSJLWAQZ-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2cccc(-c3nn[n-]n3)c2C)cc1 ZINC001588690310 1092980901 /nfs/dbraw/zinc/98/09/01/1092980901.db2.gz YKKMXJRSJLWAQZ-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM CC(=NNCCC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588777381 1092992346 /nfs/dbraw/zinc/99/23/46/1092992346.db2.gz QSARKZMYGRDVIL-UHFFFAOYSA-N -1 3 332.717 2.786 20 30 EFEDHM CC(=NNCCC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588777381 1092992354 /nfs/dbraw/zinc/99/23/54/1092992354.db2.gz QSARKZMYGRDVIL-UHFFFAOYSA-N -1 3 332.717 2.786 20 30 EFEDHM CC(=NNC[C@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001588777398 1092992398 /nfs/dbraw/zinc/99/23/98/1092992398.db2.gz SEUOLINZHZQFGF-SECBINFHSA-N -1 3 326.376 2.677 20 30 EFEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001588777309 1092992449 /nfs/dbraw/zinc/99/24/49/1092992449.db2.gz MXWACSDGUIHSHI-JTQLQIEISA-N -1 3 345.407 2.568 20 30 EFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001588777309 1092992457 /nfs/dbraw/zinc/99/24/57/1092992457.db2.gz MXWACSDGUIHSHI-JTQLQIEISA-N -1 3 345.407 2.568 20 30 EFEDHM CC(=NN[C@H]1CC(C)(C)OC1(C)C)c1ccc(-c2nnn[n-]2)s1 ZINC001588776656 1092992675 /nfs/dbraw/zinc/99/26/75/1092992675.db2.gz ZQOUMQCIYWNLEJ-LBPRGKRZSA-N -1 3 334.449 2.588 20 30 EFEDHM CC(=NNC[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588777383 1092993109 /nfs/dbraw/zinc/99/31/09/1092993109.db2.gz QYGQKKKBQHIFHU-JTQLQIEISA-N -1 3 336.852 2.587 20 30 EFEDHM CC(=NNC[C@@H]1CCSC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588777383 1092993117 /nfs/dbraw/zinc/99/31/17/1092993117.db2.gz QYGQKKKBQHIFHU-JTQLQIEISA-N -1 3 336.852 2.587 20 30 EFEDHM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588780743 1092993206 /nfs/dbraw/zinc/99/32/06/1092993206.db2.gz LWDJSYIHVSSYMF-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588780743 1092993213 /nfs/dbraw/zinc/99/32/13/1092993213.db2.gz LWDJSYIHVSSYMF-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cnn(C(C)(C)C)c1C ZINC001588780745 1092993724 /nfs/dbraw/zinc/99/37/24/1092993724.db2.gz LWTCVEJDACZNAZ-UHFFFAOYSA-N -1 3 338.419 2.963 20 30 EFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cnn(C(C)(C)C)c1C ZINC001588780745 1092993730 /nfs/dbraw/zinc/99/37/30/1092993730.db2.gz LWTCVEJDACZNAZ-UHFFFAOYSA-N -1 3 338.419 2.963 20 30 EFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588881726 1093000350 /nfs/dbraw/zinc/00/03/50/1093000350.db2.gz FKJPTGQAQXGBLI-YFHOEESVSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588881726 1093000353 /nfs/dbraw/zinc/00/03/53/1093000353.db2.gz FKJPTGQAQXGBLI-YFHOEESVSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)c1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1C ZINC001588901016 1093004157 /nfs/dbraw/zinc/00/41/57/1093004157.db2.gz ICQSLKZUBKWFEP-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1C ZINC001588901016 1093004164 /nfs/dbraw/zinc/00/41/64/1093004164.db2.gz ICQSLKZUBKWFEP-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM C[C@H](C#N)Cn1nc(C(F)(F)F)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001588933867 1093014555 /nfs/dbraw/zinc/01/45/55/1093014555.db2.gz AVERJMFSXOSWCD-SECBINFHSA-N -1 3 347.304 2.909 20 30 EFEDHM C[C@H](C#N)Cn1nc(C(F)(F)F)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001588933867 1093014559 /nfs/dbraw/zinc/01/45/59/1093014559.db2.gz AVERJMFSXOSWCD-SECBINFHSA-N -1 3 347.304 2.909 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589034150 1093019412 /nfs/dbraw/zinc/01/94/12/1093019412.db2.gz SGTWHXJGBHMOOD-CMDGGOBGSA-N -1 3 325.372 2.753 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589034150 1093019418 /nfs/dbraw/zinc/01/94/18/1093019418.db2.gz SGTWHXJGBHMOOD-CMDGGOBGSA-N -1 3 325.372 2.753 20 30 EFEDHM CC(C)(C#N)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001589033854 1093020170 /nfs/dbraw/zinc/02/01/70/1093020170.db2.gz LGSSKODOHMEWDE-UHFFFAOYSA-N -1 3 338.293 2.764 20 30 EFEDHM CC(C)(C#N)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001589033854 1093020174 /nfs/dbraw/zinc/02/01/74/1093020174.db2.gz LGSSKODOHMEWDE-UHFFFAOYSA-N -1 3 338.293 2.764 20 30 EFEDHM CC(C)(C)[C@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001589086011 1093027842 /nfs/dbraw/zinc/02/78/42/1093027842.db2.gz OPOQKQUIAXINRJ-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)[C@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001589086011 1093027851 /nfs/dbraw/zinc/02/78/51/1093027851.db2.gz OPOQKQUIAXINRJ-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)[C@H]1C[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589499065 1093094006 /nfs/dbraw/zinc/09/40/06/1093094006.db2.gz HLXKLZVDVJCADY-SWLSCSKDSA-N -1 3 326.404 2.601 20 30 EFEDHM CC(C)[C@H]1C[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589499065 1093094014 /nfs/dbraw/zinc/09/40/14/1093094014.db2.gz HLXKLZVDVJCADY-SWLSCSKDSA-N -1 3 326.404 2.601 20 30 EFEDHM CC(C)CC(=NNCc1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC001589520563 1093102909 /nfs/dbraw/zinc/10/29/09/1093102909.db2.gz FGGDZVCTCGNGGY-UHFFFAOYSA-N -1 3 342.447 2.785 20 30 EFEDHM CC(C)CC(=NNCc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC001589520563 1093102912 /nfs/dbraw/zinc/10/29/12/1093102912.db2.gz FGGDZVCTCGNGGY-UHFFFAOYSA-N -1 3 342.447 2.785 20 30 EFEDHM CC(C)CN(Cc1cc(-c2nnn[n-]2)ccn1)c1ccc(C#N)cc1 ZINC001589619648 1093116489 /nfs/dbraw/zinc/11/64/89/1093116489.db2.gz XUGWXVQJPAXJEM-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)CN(Cc1cc(-c2nn[n-]n2)ccn1)c1ccc(C#N)cc1 ZINC001589619648 1093116495 /nfs/dbraw/zinc/11/64/95/1093116495.db2.gz XUGWXVQJPAXJEM-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001589787286 1093146413 /nfs/dbraw/zinc/14/64/13/1093146413.db2.gz JCAUQDPXZLSRSX-JTQLQIEISA-N -1 3 325.376 2.510 20 30 EFEDHM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001589787286 1093146418 /nfs/dbraw/zinc/14/64/18/1093146418.db2.gz JCAUQDPXZLSRSX-JTQLQIEISA-N -1 3 325.376 2.510 20 30 EFEDHM C[C@H](CC#N)NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001589787630 1093148631 /nfs/dbraw/zinc/14/86/31/1093148631.db2.gz MVQZUVRDOSINHV-MRVPVSSYSA-N -1 3 333.421 2.649 20 30 EFEDHM C[C@H](CC#N)NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001589787630 1093148632 /nfs/dbraw/zinc/14/86/32/1093148632.db2.gz MVQZUVRDOSINHV-MRVPVSSYSA-N -1 3 333.421 2.649 20 30 EFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589794689 1093150880 /nfs/dbraw/zinc/15/08/80/1093150880.db2.gz FJHIRUHDAVMYEV-BCPZQOPPSA-N -1 3 325.372 2.751 20 30 EFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589794689 1093150885 /nfs/dbraw/zinc/15/08/85/1093150885.db2.gz FJHIRUHDAVMYEV-BCPZQOPPSA-N -1 3 325.372 2.751 20 30 EFEDHM C[C@@H](CC1(C#N)CCOCC1)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589801006 1093152252 /nfs/dbraw/zinc/15/22/52/1093152252.db2.gz FZKKZAOYUOJEKY-NSHDSACASA-N -1 3 330.367 2.517 20 30 EFEDHM C[C@@H](CC1(C#N)CCOCC1)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589801006 1093152255 /nfs/dbraw/zinc/15/22/55/1093152255.db2.gz FZKKZAOYUOJEKY-NSHDSACASA-N -1 3 330.367 2.517 20 30 EFEDHM C[C@H](COc1ccccc1)NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001589884824 1093164893 /nfs/dbraw/zinc/16/48/93/1093164893.db2.gz ILHLAKCJAULVGH-CYBMUJFWSA-N -1 3 348.410 2.574 20 30 EFEDHM C[C@H](COc1ccccc1)NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001589884824 1093164899 /nfs/dbraw/zinc/16/48/99/1093164899.db2.gz ILHLAKCJAULVGH-CYBMUJFWSA-N -1 3 348.410 2.574 20 30 EFEDHM C[C@@H](COC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001589883389 1093165080 /nfs/dbraw/zinc/16/50/80/1093165080.db2.gz DPPRPBFWTFFIPP-WFASDCNBSA-N -1 3 341.415 2.774 20 30 EFEDHM C[C@@H](COC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001589883389 1093165083 /nfs/dbraw/zinc/16/50/83/1093165083.db2.gz DPPRPBFWTFFIPP-WFASDCNBSA-N -1 3 341.415 2.774 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001589897864 1093170102 /nfs/dbraw/zinc/17/01/02/1093170102.db2.gz OXNANZOLGLCHLA-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001589897864 1093170107 /nfs/dbraw/zinc/17/01/07/1093170107.db2.gz OXNANZOLGLCHLA-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589922445 1093180543 /nfs/dbraw/zinc/18/05/43/1093180543.db2.gz JSDJATKTLDKHBO-CYBMUJFWSA-N -1 3 338.415 2.908 20 30 EFEDHM C[C@@H](NC(=O)CC1(C#N)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589922445 1093180547 /nfs/dbraw/zinc/18/05/47/1093180547.db2.gz JSDJATKTLDKHBO-CYBMUJFWSA-N -1 3 338.415 2.908 20 30 EFEDHM C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589935948 1093185736 /nfs/dbraw/zinc/18/57/36/1093185736.db2.gz CNBQMXZPZAUYFQ-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589935948 1093185740 /nfs/dbraw/zinc/18/57/40/1093185740.db2.gz CNBQMXZPZAUYFQ-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccncc1 ZINC001589975218 1093204997 /nfs/dbraw/zinc/20/49/97/1093204997.db2.gz BCJHKIWBVACVJQ-LBPRGKRZSA-N -1 3 333.399 2.653 20 30 EFEDHM C[C@H](NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccncc1 ZINC001589975218 1093205005 /nfs/dbraw/zinc/20/50/05/1093205005.db2.gz BCJHKIWBVACVJQ-LBPRGKRZSA-N -1 3 333.399 2.653 20 30 EFEDHM C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589982543 1093209778 /nfs/dbraw/zinc/20/97/78/1093209778.db2.gz YAZULMIELAKBMD-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589982543 1093209782 /nfs/dbraw/zinc/20/97/82/1093209782.db2.gz YAZULMIELAKBMD-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001590008869 1093217634 /nfs/dbraw/zinc/21/76/34/1093217634.db2.gz TZIXDRVFDGBKPI-GFCCVEGCSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001590008869 1093217638 /nfs/dbraw/zinc/21/76/38/1093217638.db2.gz TZIXDRVFDGBKPI-GFCCVEGCSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1ccc(C#N)cc1 ZINC001590044011 1093237913 /nfs/dbraw/zinc/23/79/13/1093237913.db2.gz NGRGYIGGDPLIPU-LBPRGKRZSA-N -1 3 347.382 2.963 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1ccc(C#N)cc1 ZINC001590044011 1093237916 /nfs/dbraw/zinc/23/79/16/1093237916.db2.gz NGRGYIGGDPLIPU-LBPRGKRZSA-N -1 3 347.382 2.963 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1cc(C#N)nc(C2CC2)n1 ZINC001590047623 1093242264 /nfs/dbraw/zinc/24/22/64/1093242264.db2.gz UVUPRAHVGVMAEY-NSHDSACASA-N -1 3 346.398 2.603 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1cc(C#N)nc(C2CC2)n1 ZINC001590047623 1093242269 /nfs/dbraw/zinc/24/22/69/1093242269.db2.gz UVUPRAHVGVMAEY-NSHDSACASA-N -1 3 346.398 2.603 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cscc1-c1nnn[n-]1 ZINC001590048549 1093242404 /nfs/dbraw/zinc/24/24/04/1093242404.db2.gz ITFLJNDWFUEAGP-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cscc1-c1nn[n-]n1 ZINC001590048549 1093242407 /nfs/dbraw/zinc/24/24/07/1093242407.db2.gz ITFLJNDWFUEAGP-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC001650453405 1093263540 /nfs/dbraw/zinc/26/35/40/1093263540.db2.gz KWBBWVKDDVEXLZ-ONGXEEELSA-N -1 3 342.804 2.561 20 30 EFEDHM C[C@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)OCCc2ccccc21 ZINC001590134104 1093280968 /nfs/dbraw/zinc/28/09/68/1093280968.db2.gz NYKKAJJUJDTZCQ-LJQANCHMSA-N -1 3 346.394 2.638 20 30 EFEDHM C[C@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)OCCc2ccccc21 ZINC001590134104 1093280975 /nfs/dbraw/zinc/28/09/75/1093280975.db2.gz NYKKAJJUJDTZCQ-LJQANCHMSA-N -1 3 346.394 2.638 20 30 EFEDHM C[C@@]12CCN(c3c(C#N)cccc3-c3nnn[n-]3)C[C@@H]1C2(Cl)Cl ZINC001590156649 1093288804 /nfs/dbraw/zinc/28/88/04/1093288804.db2.gz NQHROJMSGWSADU-SMDDNHRTSA-N -1 3 349.225 2.758 20 30 EFEDHM C[C@@]12CCN(c3c(C#N)cccc3-c3nn[n-]n3)C[C@@H]1C2(Cl)Cl ZINC001590156649 1093288812 /nfs/dbraw/zinc/28/88/12/1093288812.db2.gz NQHROJMSGWSADU-SMDDNHRTSA-N -1 3 349.225 2.758 20 30 EFEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H](C)O1 ZINC001590181884 1093296311 /nfs/dbraw/zinc/29/63/11/1093296311.db2.gz VCOKSYNUKOEKIU-SFYZADRCSA-N -1 3 340.309 2.851 20 30 EFEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H](C)O1 ZINC001590181884 1093296317 /nfs/dbraw/zinc/29/63/17/1093296317.db2.gz VCOKSYNUKOEKIU-SFYZADRCSA-N -1 3 340.309 2.851 20 30 EFEDHM C[C@H]1Cc2cc(CNc3c(C#N)cccc3-c3nnn[n-]3)ccc2O1 ZINC001590328954 1093377286 /nfs/dbraw/zinc/37/72/86/1093377286.db2.gz KZWIXFXZIOGZHF-NSHDSACASA-N -1 3 332.367 2.674 20 30 EFEDHM C[C@H]1Cc2cc(CNc3c(C#N)cccc3-c3nn[n-]n3)ccc2O1 ZINC001590328954 1093377298 /nfs/dbraw/zinc/37/72/98/1093377298.db2.gz KZWIXFXZIOGZHF-NSHDSACASA-N -1 3 332.367 2.674 20 30 EFEDHM C[C@H]1OCC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]1C ZINC001590333636 1093382104 /nfs/dbraw/zinc/38/21/04/1093382104.db2.gz GJWLPXMBPHVVIA-JGVFFNPUSA-N -1 3 340.309 2.708 20 30 EFEDHM C[C@H]1OCC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]1C ZINC001590333636 1093382112 /nfs/dbraw/zinc/38/21/12/1093382112.db2.gz GJWLPXMBPHVVIA-JGVFFNPUSA-N -1 3 340.309 2.708 20 30 EFEDHM C[C@@H]1OCC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)[C@@H]1C ZINC001590334631 1093382158 /nfs/dbraw/zinc/38/21/58/1093382158.db2.gz LAFMRNXMPSTREJ-SFYZADRCSA-N -1 3 340.309 2.708 20 30 EFEDHM C[C@@H]1OCC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)[C@@H]1C ZINC001590334631 1093382167 /nfs/dbraw/zinc/38/21/67/1093382167.db2.gz LAFMRNXMPSTREJ-SFYZADRCSA-N -1 3 340.309 2.708 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)c(C)n2)c1 ZINC001590368136 1093392665 /nfs/dbraw/zinc/39/26/65/1093392665.db2.gz XQZFTJYALYDIRV-AWEZNQCLSA-N -1 3 349.398 2.863 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nn[n-]n3)c(C)n2)c1 ZINC001590368136 1093392674 /nfs/dbraw/zinc/39/26/74/1093392674.db2.gz XQZFTJYALYDIRV-AWEZNQCLSA-N -1 3 349.398 2.863 20 30 EFEDHM CCC(C#N)(CC)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001590367132 1093393202 /nfs/dbraw/zinc/39/32/02/1093393202.db2.gz CZSHTEDQBDXZLQ-UHFFFAOYSA-N -1 3 343.387 2.509 20 30 EFEDHM CCC(C#N)(CC)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001590367132 1093393212 /nfs/dbraw/zinc/39/32/12/1093393212.db2.gz CZSHTEDQBDXZLQ-UHFFFAOYSA-N -1 3 343.387 2.509 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001590372393 1093395370 /nfs/dbraw/zinc/39/53/70/1093395370.db2.gz UWPFPCSEBDKWAG-CYBMUJFWSA-N -1 3 349.192 2.508 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001590372393 1093395379 /nfs/dbraw/zinc/39/53/79/1093395379.db2.gz UWPFPCSEBDKWAG-CYBMUJFWSA-N -1 3 349.192 2.508 20 30 EFEDHM CCC(CC)NN=Cc1cc(-c2nnn[n-]2)ccc1Br ZINC001590435905 1093419892 /nfs/dbraw/zinc/41/98/92/1093419892.db2.gz RDACMSLCMUYVQY-UHFFFAOYSA-N -1 3 337.225 2.741 20 30 EFEDHM CCC(CC)NN=Cc1cc(-c2nn[n-]n2)ccc1Br ZINC001590435905 1093419894 /nfs/dbraw/zinc/41/98/94/1093419894.db2.gz RDACMSLCMUYVQY-UHFFFAOYSA-N -1 3 337.225 2.741 20 30 EFEDHM CCC(CC)[C@@H](CCNc1c(C#N)cccc1-c1nnn[n-]1)OC ZINC001590432808 1093420038 /nfs/dbraw/zinc/42/00/38/1093420038.db2.gz OYLMHJBZLFYFSW-OAHLLOKOSA-N -1 3 328.420 2.992 20 30 EFEDHM CCC(CC)[C@@H](CCNc1c(C#N)cccc1-c1nn[n-]n1)OC ZINC001590432808 1093420041 /nfs/dbraw/zinc/42/00/41/1093420041.db2.gz OYLMHJBZLFYFSW-OAHLLOKOSA-N -1 3 328.420 2.992 20 30 EFEDHM CC[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001590446027 1093424252 /nfs/dbraw/zinc/42/42/52/1093424252.db2.gz NXGXKBXQSLLRKY-NSHDSACASA-N -1 3 342.403 2.518 20 30 EFEDHM CC[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001590446027 1093424254 /nfs/dbraw/zinc/42/42/54/1093424254.db2.gz NXGXKBXQSLLRKY-NSHDSACASA-N -1 3 342.403 2.518 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001590538739 1093476458 /nfs/dbraw/zinc/47/64/58/1093476458.db2.gz MKCKCNIAQFYNRY-UHFFFAOYSA-N -1 3 347.810 2.507 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001590538739 1093476461 /nfs/dbraw/zinc/47/64/61/1093476461.db2.gz MKCKCNIAQFYNRY-UHFFFAOYSA-N -1 3 347.810 2.507 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001590538937 1093476489 /nfs/dbraw/zinc/47/64/89/1093476489.db2.gz SSIGLKMUIQLODD-UHFFFAOYSA-N -1 3 326.404 2.768 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001590538937 1093476491 /nfs/dbraw/zinc/47/64/91/1093476491.db2.gz SSIGLKMUIQLODD-UHFFFAOYSA-N -1 3 326.404 2.768 20 30 EFEDHM CCCCCCCN[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC001590592452 1093503016 /nfs/dbraw/zinc/50/30/16/1093503016.db2.gz SCAUBZVPIOCIRM-HNNXBMFYSA-N -1 3 331.420 2.641 20 30 EFEDHM CCCCCCCN[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC001590592452 1093503018 /nfs/dbraw/zinc/50/30/18/1093503018.db2.gz SCAUBZVPIOCIRM-HNNXBMFYSA-N -1 3 331.420 2.641 20 30 EFEDHM CCCCCCN([O-])C(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001590594484 1093505236 /nfs/dbraw/zinc/50/52/36/1093505236.db2.gz NHARENKZICPKTG-UHFFFAOYSA-N -1 3 347.419 2.822 20 30 EFEDHM CCCCCCN(O)C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001590594953 1093506602 /nfs/dbraw/zinc/50/66/02/1093506602.db2.gz YAPNHQYYYWZTCX-UHFFFAOYSA-N -1 3 328.376 2.760 20 30 EFEDHM CCCCCCN(O)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001590594953 1093506611 /nfs/dbraw/zinc/50/66/11/1093506611.db2.gz YAPNHQYYYWZTCX-UHFFFAOYSA-N -1 3 328.376 2.760 20 30 EFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(C#N)cc1F ZINC001590628429 1093523523 /nfs/dbraw/zinc/52/35/23/1093523523.db2.gz DPOCNRBFVPGAHA-UHFFFAOYSA-N -1 3 337.362 2.689 20 30 EFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(C#N)cc1F ZINC001590628429 1093523534 /nfs/dbraw/zinc/52/35/34/1093523534.db2.gz DPOCNRBFVPGAHA-UHFFFAOYSA-N -1 3 337.362 2.689 20 30 EFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCCC#N ZINC001590639730 1093527864 /nfs/dbraw/zinc/52/78/64/1093527864.db2.gz ARFBKZFRVDHZDZ-UHFFFAOYSA-N -1 3 327.392 2.711 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590673595 1093542960 /nfs/dbraw/zinc/54/29/60/1093542960.db2.gz MLZOCSCKRXLLBR-CYBMUJFWSA-N -1 3 346.394 2.962 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590673595 1093542966 /nfs/dbraw/zinc/54/29/66/1093542966.db2.gz MLZOCSCKRXLLBR-CYBMUJFWSA-N -1 3 346.394 2.962 20 30 EFEDHM CCOC(=O)Nc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001590768358 1093564482 /nfs/dbraw/zinc/56/44/82/1093564482.db2.gz CMOZIDFKTWJGEJ-GHMZBOCLSA-N -1 3 341.375 2.539 20 30 EFEDHM CCOC(=O)Nc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001590768358 1093564489 /nfs/dbraw/zinc/56/44/89/1093564489.db2.gz CMOZIDFKTWJGEJ-GHMZBOCLSA-N -1 3 341.375 2.539 20 30 EFEDHM CCOc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC001590825857 1093584299 /nfs/dbraw/zinc/58/42/99/1093584299.db2.gz YCEBMSVARBSCCX-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC001590825857 1093584303 /nfs/dbraw/zinc/58/43/03/1093584303.db2.gz YCEBMSVARBSCCX-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001590837157 1093590412 /nfs/dbraw/zinc/59/04/12/1093590412.db2.gz LWOUHSQDBHEEDW-NTEUORMPSA-N -1 3 347.378 2.873 20 30 EFEDHM CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001590837157 1093590418 /nfs/dbraw/zinc/59/04/18/1093590418.db2.gz LWOUHSQDBHEEDW-NTEUORMPSA-N -1 3 347.378 2.873 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(CC#N)cc1 ZINC001590876652 1093609014 /nfs/dbraw/zinc/60/90/14/1093609014.db2.gz AKFYVCWYGOXRBZ-UHFFFAOYSA-N -1 3 333.351 2.714 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(CC#N)cc1 ZINC001590876652 1093609016 /nfs/dbraw/zinc/60/90/16/1093609016.db2.gz AKFYVCWYGOXRBZ-UHFFFAOYSA-N -1 3 333.351 2.714 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C#N)cs1 ZINC001590876746 1093610151 /nfs/dbraw/zinc/61/01/51/1093610151.db2.gz DFXWPDYHTREXNN-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C#N)cs1 ZINC001590876746 1093610156 /nfs/dbraw/zinc/61/01/56/1093610156.db2.gz DFXWPDYHTREXNN-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001590877739 1093610957 /nfs/dbraw/zinc/61/09/57/1093610957.db2.gz LUMYTKUTHXPRKD-SFHVURJKSA-N -1 3 337.383 2.809 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001590877739 1093610961 /nfs/dbraw/zinc/61/09/61/1093610961.db2.gz LUMYTKUTHXPRKD-SFHVURJKSA-N -1 3 337.383 2.809 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2cccc(-c3nnn[n-]3)c2C)s1 ZINC001590877851 1093611169 /nfs/dbraw/zinc/61/11/69/1093611169.db2.gz FRMFEKKNHGKZBZ-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2cccc(-c3nn[n-]n3)c2C)s1 ZINC001590877851 1093611174 /nfs/dbraw/zinc/61/11/74/1093611174.db2.gz FRMFEKKNHGKZBZ-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C#N)s1 ZINC001590877525 1093611913 /nfs/dbraw/zinc/61/19/13/1093611913.db2.gz MSGZXCAVFWOIDN-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C#N)s1 ZINC001590877525 1093611917 /nfs/dbraw/zinc/61/19/17/1093611917.db2.gz MSGZXCAVFWOIDN-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)CCc1ccc(C#N)cc1 ZINC001590878230 1093612211 /nfs/dbraw/zinc/61/22/11/1093612211.db2.gz PNFGFYYVVTZFHQ-UHFFFAOYSA-N -1 3 347.378 2.839 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)CCc1ccc(C#N)cc1 ZINC001590878230 1093612224 /nfs/dbraw/zinc/61/22/24/1093612224.db2.gz PNFGFYYVVTZFHQ-UHFFFAOYSA-N -1 3 347.378 2.839 20 30 EFEDHM CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001590886873 1093615344 /nfs/dbraw/zinc/61/53/44/1093615344.db2.gz POMIJBIQOWKJEO-QGZVFWFLSA-N -1 3 346.394 2.766 20 30 EFEDHM CCc1ccc([C@@H](C#N)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001590886873 1093615346 /nfs/dbraw/zinc/61/53/46/1093615346.db2.gz POMIJBIQOWKJEO-QGZVFWFLSA-N -1 3 346.394 2.766 20 30 EFEDHM CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001590886870 1093615458 /nfs/dbraw/zinc/61/54/58/1093615458.db2.gz POMIJBIQOWKJEO-KRWDZBQOSA-N -1 3 346.394 2.766 20 30 EFEDHM CCc1ccc([C@H](C#N)N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001590886870 1093615460 /nfs/dbraw/zinc/61/54/60/1093615460.db2.gz POMIJBIQOWKJEO-KRWDZBQOSA-N -1 3 346.394 2.766 20 30 EFEDHM CCn1nccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001590969315 1093643497 /nfs/dbraw/zinc/64/34/97/1093643497.db2.gz DGDIPZZTRNTPJD-GQCTYLIASA-N -1 3 328.763 2.633 20 30 EFEDHM CCn1nccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001590969315 1093643502 /nfs/dbraw/zinc/64/35/02/1093643502.db2.gz DGDIPZZTRNTPJD-GQCTYLIASA-N -1 3 328.763 2.633 20 30 EFEDHM CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590978636 1093644605 /nfs/dbraw/zinc/64/46/05/1093644605.db2.gz UURIGVJPZVAZLU-MRXNPFEDSA-N -1 3 346.394 2.917 20 30 EFEDHM CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590978636 1093644609 /nfs/dbraw/zinc/64/46/09/1093644609.db2.gz UURIGVJPZVAZLU-MRXNPFEDSA-N -1 3 346.394 2.917 20 30 EFEDHM CN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1-c1nnn[n-]1 ZINC001590993197 1093648672 /nfs/dbraw/zinc/64/86/72/1093648672.db2.gz QZQBTNLOXUZQFU-UHFFFAOYSA-N -1 3 346.394 2.944 20 30 EFEDHM CN(C(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1-c1nn[n-]n1 ZINC001590993197 1093648675 /nfs/dbraw/zinc/64/86/75/1093648675.db2.gz QZQBTNLOXUZQFU-UHFFFAOYSA-N -1 3 346.394 2.944 20 30 EFEDHM CN(C(=O)c1sccc1C#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001590998102 1093650343 /nfs/dbraw/zinc/65/03/43/1093650343.db2.gz IIPYLYNLJWCMDP-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1sccc1C#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590998102 1093650348 /nfs/dbraw/zinc/65/03/48/1093650348.db2.gz IIPYLYNLJWCMDP-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C)c1ccc(C#N)cc1CNc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001591032003 1093655395 /nfs/dbraw/zinc/65/53/95/1093655395.db2.gz ILWLAPWIDWWABD-UHFFFAOYSA-N -1 3 337.362 2.556 20 30 EFEDHM CN(C)c1ccc(C#N)cc1CNc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001591032003 1093655398 /nfs/dbraw/zinc/65/53/98/1093655398.db2.gz ILWLAPWIDWWABD-UHFFFAOYSA-N -1 3 337.362 2.556 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)[C@@H]1CCC[C@@H]1C#N ZINC001591136699 1093669772 /nfs/dbraw/zinc/66/97/72/1093669772.db2.gz JEBXLQLFTOFKEJ-DGCLKSJQSA-N -1 3 348.357 2.592 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)[C@@H]1CCC[C@@H]1C#N ZINC001591136699 1093669775 /nfs/dbraw/zinc/66/97/75/1093669775.db2.gz JEBXLQLFTOFKEJ-DGCLKSJQSA-N -1 3 348.357 2.592 20 30 EFEDHM CO[C@H]1C[C@H]2CC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)C[C@H]2C1 ZINC001591472309 1093731331 /nfs/dbraw/zinc/73/13/31/1093731331.db2.gz KPJCVBNXBFVCKF-GDGBQDQQSA-N -1 3 347.810 2.518 20 30 EFEDHM CO[C@H]1C[C@H]2CC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)C[C@H]2C1 ZINC001591472309 1093731338 /nfs/dbraw/zinc/73/13/38/1093731338.db2.gz KPJCVBNXBFVCKF-GDGBQDQQSA-N -1 3 347.810 2.518 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1C#N ZINC001591522497 1093749799 /nfs/dbraw/zinc/74/97/99/1093749799.db2.gz IWPXBUHHZQKAOX-GIDUJCDVSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1C#N ZINC001591522497 1093749802 /nfs/dbraw/zinc/74/98/02/1093749802.db2.gz IWPXBUHHZQKAOX-GIDUJCDVSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1cc(C=C2Cc3c(cccc3F)C2=O)ccc1-c1nnn[n-]1 ZINC001591522798 1093750122 /nfs/dbraw/zinc/75/01/22/1093750122.db2.gz NIXLWDHTPCIWKC-YRNVUSSQSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(C=C2Cc3c(cccc3F)C2=O)ccc1-c1nn[n-]n1 ZINC001591522798 1093750128 /nfs/dbraw/zinc/75/01/28/1093750128.db2.gz NIXLWDHTPCIWKC-YRNVUSSQSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)ccc1C ZINC001591523371 1093751208 /nfs/dbraw/zinc/75/12/08/1093751208.db2.gz WCWLJTCBHZMYBH-AUWJEWJLSA-N -1 3 347.378 2.791 20 30 EFEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)ccc1C ZINC001591523371 1093751213 /nfs/dbraw/zinc/75/12/13/1093751213.db2.gz WCWLJTCBHZMYBH-AUWJEWJLSA-N -1 3 347.378 2.791 20 30 EFEDHM COc1cc(F)ccc1NN=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001591540649 1093758558 /nfs/dbraw/zinc/75/85/58/1093758558.db2.gz DLKJEVJTZMGDMH-UHFFFAOYSA-N -1 3 348.288 2.739 20 30 EFEDHM COc1cc(F)ccc1NN=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001591540649 1093758564 /nfs/dbraw/zinc/75/85/64/1093758564.db2.gz DLKJEVJTZMGDMH-UHFFFAOYSA-N -1 3 348.288 2.739 20 30 EFEDHM COc1cc2c(cc1F)CCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001591555326 1093768002 /nfs/dbraw/zinc/76/80/02/1093768002.db2.gz UALWWMUSJRXNAN-UHFFFAOYSA-N -1 3 338.346 2.777 20 30 EFEDHM COc1ccc(C#N)cc1NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001591570691 1093774988 /nfs/dbraw/zinc/77/49/88/1093774988.db2.gz ZHLSFMXWSDNAQL-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(C#N)cc1NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001591570691 1093774995 /nfs/dbraw/zinc/77/49/95/1093774995.db2.gz ZHLSFMXWSDNAQL-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(C#N)cc3C2=O)cc1-c1nnn[n-]1 ZINC001591582656 1093780002 /nfs/dbraw/zinc/78/00/02/1093780002.db2.gz HHVODZLYKVSDSG-MKMNVTDBSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(C#N)cc3C2=O)cc1-c1nn[n-]n1 ZINC001591582656 1093780009 /nfs/dbraw/zinc/78/00/09/1093780009.db2.gz HHVODZLYKVSDSG-MKMNVTDBSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(C)c1OC ZINC001591582267 1093780069 /nfs/dbraw/zinc/78/00/69/1093780069.db2.gz DQWPLFCEVXWHRW-UHFFFAOYSA-N -1 3 338.371 2.638 20 30 EFEDHM COc1ccc(OC)c(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1 ZINC001591619242 1093801459 /nfs/dbraw/zinc/80/14/59/1093801459.db2.gz HOMVLBICAUYGPU-ZSOIEALJSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(OC)c(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1 ZINC001591619242 1093801462 /nfs/dbraw/zinc/80/14/62/1093801462.db2.gz HOMVLBICAUYGPU-ZSOIEALJSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc([C@@H]2C[C@H]2Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001591622079 1093802800 /nfs/dbraw/zinc/80/28/00/1093802800.db2.gz IZPKFDZZEGAJPS-JKSUJKDBSA-N -1 3 332.367 2.715 20 30 EFEDHM COc1ccc([C@@H]2C[C@H]2Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001591622079 1093802807 /nfs/dbraw/zinc/80/28/07/1093802807.db2.gz IZPKFDZZEGAJPS-JKSUJKDBSA-N -1 3 332.367 2.715 20 30 EFEDHM COc1cccc(OC)c1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001591644600 1093815455 /nfs/dbraw/zinc/81/54/55/1093815455.db2.gz KQCWCLUYYPTVSD-ZHACJKMWSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cccc(OC)c1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001591644600 1093815459 /nfs/dbraw/zinc/81/54/59/1093815459.db2.gz KQCWCLUYYPTVSD-ZHACJKMWSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccccc1CON=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001591650323 1093819938 /nfs/dbraw/zinc/81/99/38/1093819938.db2.gz JZTLQLYDUVSNOG-UHFFFAOYSA-N -1 3 345.309 2.704 20 30 EFEDHM COc1ccccc1CON=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001591650323 1093819944 /nfs/dbraw/zinc/81/99/44/1093819944.db2.gz JZTLQLYDUVSNOG-UHFFFAOYSA-N -1 3 345.309 2.704 20 30 EFEDHM CSc1ccc(CNc2snc(C)c2-c2nnn[n-]2)cc1C#N ZINC001591715005 1093840480 /nfs/dbraw/zinc/84/04/80/1093840480.db2.gz WKCQEBPNJMOZGC-UHFFFAOYSA-N -1 3 343.441 2.837 20 30 EFEDHM C[C@H](OC(=O)c1ccsc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001591771496 1093854350 /nfs/dbraw/zinc/85/43/50/1093854350.db2.gz VILKCNGGXHXBIE-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](OC(=O)c1ccsc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001591771496 1093854354 /nfs/dbraw/zinc/85/43/54/1093854354.db2.gz VILKCNGGXHXBIE-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001591784863 1093859617 /nfs/dbraw/zinc/85/96/17/1093859617.db2.gz CVHSFQFSMWTHSN-UHFFFAOYSA-N -1 3 333.355 2.505 20 30 EFEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001591784863 1093859623 /nfs/dbraw/zinc/85/96/23/1093859623.db2.gz CVHSFQFSMWTHSN-UHFFFAOYSA-N -1 3 333.355 2.505 20 30 EFEDHM Cc1c2ccccc2nc(N2CCC[C@@H](CC#N)C2)c1-c1nnn[n-]1 ZINC001591794780 1093860582 /nfs/dbraw/zinc/86/05/82/1093860582.db2.gz DMJZMAPCHSDBBV-ZDUSSCGKSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1c2ccccc2nc(N2CCC[C@@H](CC#N)C2)c1-c1nn[n-]n1 ZINC001591794780 1093860589 /nfs/dbraw/zinc/86/05/89/1093860589.db2.gz DMJZMAPCHSDBBV-ZDUSSCGKSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1c2c(nc(SCc3ccc(-c4nnn[n-]4)cn3)c1C#N)CCC2 ZINC001591799398 1093862899 /nfs/dbraw/zinc/86/28/99/1093862899.db2.gz IOQRGMAHISICEP-UHFFFAOYSA-N -1 3 349.423 2.618 20 30 EFEDHM Cc1c2c(nc(SCc3ccc(-c4nn[n-]n4)cn3)c1C#N)CCC2 ZINC001591799398 1093862911 /nfs/dbraw/zinc/86/29/11/1093862911.db2.gz IOQRGMAHISICEP-UHFFFAOYSA-N -1 3 349.423 2.618 20 30 EFEDHM Cc1c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cccc1-c1nnn[n-]1 ZINC001591810863 1093867024 /nfs/dbraw/zinc/86/70/24/1093867024.db2.gz IYJCSWCRDOFMHN-UHFFFAOYSA-N -1 3 349.398 2.856 20 30 EFEDHM Cc1c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cccc1-c1nn[n-]n1 ZINC001591810863 1093867027 /nfs/dbraw/zinc/86/70/27/1093867027.db2.gz IYJCSWCRDOFMHN-UHFFFAOYSA-N -1 3 349.398 2.856 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(Cl)c(C#N)c2)cccc1-c1nnn[n-]1 ZINC001591812724 1093868366 /nfs/dbraw/zinc/86/83/66/1093868366.db2.gz POWYEIVSPILOEB-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(Cl)c(C#N)c2)cccc1-c1nn[n-]n1 ZINC001591812724 1093868374 /nfs/dbraw/zinc/86/83/74/1093868374.db2.gz POWYEIVSPILOEB-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(Cl)cccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001591819875 1093869876 /nfs/dbraw/zinc/86/98/76/1093869876.db2.gz XYZLCUFUJWFOQO-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(Cl)cccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001591819875 1093869879 /nfs/dbraw/zinc/86/98/79/1093869879.db2.gz XYZLCUFUJWFOQO-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCCC1(C#N)CCOCC1 ZINC001591851541 1093889741 /nfs/dbraw/zinc/88/97/41/1093889741.db2.gz XFFOQJNAZIBULX-UHFFFAOYSA-N -1 3 341.415 2.963 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC001591856360 1093893612 /nfs/dbraw/zinc/89/36/12/1093893612.db2.gz LISOKIMKJOBJLL-IAGOWNOFSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC001591856360 1093893621 /nfs/dbraw/zinc/89/36/21/1093893621.db2.gz LISOKIMKJOBJLL-IAGOWNOFSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1nnc(-c2ccc(C#N)cc2)o1 ZINC001591860882 1093897864 /nfs/dbraw/zinc/89/78/64/1093897864.db2.gz DRHBHTTZWYRXAI-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1nnc(-c2ccc(C#N)cc2)o1 ZINC001591860882 1093897870 /nfs/dbraw/zinc/89/78/70/1093897870.db2.gz DRHBHTTZWYRXAI-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM Cc1cc(Br)c(N(C)C[C@@H](C)C#N)c(-c2nnn[n-]2)c1 ZINC001591904731 1093910769 /nfs/dbraw/zinc/91/07/69/1093910769.db2.gz IODVKEJCGFPGFP-VIFPVBQESA-N -1 3 335.209 2.534 20 30 EFEDHM Cc1cc(Br)c(N(C)C[C@@H](C)C#N)c(-c2nn[n-]n2)c1 ZINC001591904731 1093910775 /nfs/dbraw/zinc/91/07/75/1093910775.db2.gz IODVKEJCGFPGFP-VIFPVBQESA-N -1 3 335.209 2.534 20 30 EFEDHM Cc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc(C)c1C#N ZINC001591909040 1093913288 /nfs/dbraw/zinc/91/32/88/1093913288.db2.gz SOIQXUKMAVBWAM-UHFFFAOYSA-N -1 3 332.367 2.632 20 30 EFEDHM Cc1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc(C)c1C#N ZINC001591909040 1093913291 /nfs/dbraw/zinc/91/32/91/1093913291.db2.gz SOIQXUKMAVBWAM-UHFFFAOYSA-N -1 3 332.367 2.632 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001591906437 1093913745 /nfs/dbraw/zinc/91/37/45/1093913745.db2.gz ISDJBCHKEQWVCQ-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001591906437 1093913751 /nfs/dbraw/zinc/91/37/51/1093913751.db2.gz ISDJBCHKEQWVCQ-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1cc(C)cc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC001591953186 1093931929 /nfs/dbraw/zinc/93/19/29/1093931929.db2.gz QJYMAERYHWORIQ-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(C)cc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC001591953186 1093931933 /nfs/dbraw/zinc/93/19/33/1093931933.db2.gz QJYMAERYHWORIQ-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1-c1nnn[n-]1 ZINC001591958599 1093932673 /nfs/dbraw/zinc/93/26/73/1093932673.db2.gz DHOPHPMUCYIRPV-XVNBXDOJSA-N -1 3 346.350 2.653 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1-c1nn[n-]n1 ZINC001591958599 1093932676 /nfs/dbraw/zinc/93/26/76/1093932676.db2.gz DHOPHPMUCYIRPV-XVNBXDOJSA-N -1 3 346.350 2.653 20 30 EFEDHM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc(Cl)n1 ZINC001591958479 1093932869 /nfs/dbraw/zinc/93/28/69/1093932869.db2.gz FRYVLEXVFLAIHR-UHFFFAOYSA-N -1 3 349.185 2.718 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001591959327 1093933471 /nfs/dbraw/zinc/93/34/71/1093933471.db2.gz OJNXABXCQXQSJJ-OQFOIZHKSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001591959327 1093933475 /nfs/dbraw/zinc/93/34/75/1093933475.db2.gz OJNXABXCQXQSJJ-OQFOIZHKSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1cc(OC(=O)c2c(C)cc(C#N)cc2C)ccc1-c1nnn[n-]1 ZINC001592057844 1093971160 /nfs/dbraw/zinc/97/11/60/1093971160.db2.gz CAMDGKANLCZBGN-UHFFFAOYSA-N -1 3 333.351 2.883 20 30 EFEDHM Cc1cc(OC(=O)c2c(C)cc(C#N)cc2C)ccc1-c1nn[n-]n1 ZINC001592057844 1093971163 /nfs/dbraw/zinc/97/11/63/1093971163.db2.gz CAMDGKANLCZBGN-UHFFFAOYSA-N -1 3 333.351 2.883 20 30 EFEDHM Cc1cc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1C#N ZINC001592068021 1093973422 /nfs/dbraw/zinc/97/34/22/1093973422.db2.gz LJNQMCQLVHYOHD-UHFFFAOYSA-N -1 3 339.340 2.501 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001592106869 1093983332 /nfs/dbraw/zinc/98/33/32/1093983332.db2.gz FBHUCTFUVHTAEU-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC001592106869 1093983336 /nfs/dbraw/zinc/98/33/36/1093983336.db2.gz FBHUCTFUVHTAEU-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001592117282 1093986358 /nfs/dbraw/zinc/98/63/58/1093986358.db2.gz ANKBDQVUDYVLKL-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001592117282 1093986364 /nfs/dbraw/zinc/98/63/64/1093986364.db2.gz ANKBDQVUDYVLKL-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)cc1C#N ZINC001592129553 1093989509 /nfs/dbraw/zinc/98/95/09/1093989509.db2.gz LKSNJDWRKPDSPA-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)cc1C#N ZINC001592129553 1093989512 /nfs/dbraw/zinc/98/95/12/1093989512.db2.gz LKSNJDWRKPDSPA-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1ccc(CNc2cccc(C#N)c2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592166904 1094010018 /nfs/dbraw/zinc/01/00/18/1094010018.db2.gz NOFHUZQFWZYTTD-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc(CNc2cccc(C#N)c2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592166904 1094010023 /nfs/dbraw/zinc/01/00/23/1094010023.db2.gz NOFHUZQFWZYTTD-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(C#N)n1 ZINC001592184649 1094022477 /nfs/dbraw/zinc/02/24/77/1094022477.db2.gz WLDWEOLQQIEVBD-OAHLLOKOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(C#N)n1 ZINC001592184649 1094022484 /nfs/dbraw/zinc/02/24/84/1094022484.db2.gz WLDWEOLQQIEVBD-OAHLLOKOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccc2ncc(C=CC(=O)c3ccccc3-c3nnn[n-]3)n2c1 ZINC001592209912 1094032526 /nfs/dbraw/zinc/03/25/26/1094032526.db2.gz JPFIPGOVAQOMGL-FPLPWBNLSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccc2ncc(C=CC(=O)c3ccccc3-c3nn[n-]n3)n2c1 ZINC001592209912 1094032530 /nfs/dbraw/zinc/03/25/30/1094032530.db2.gz JPFIPGOVAQOMGL-FPLPWBNLSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(OCc3ccnc(C#N)c3)c2c1 ZINC001592210799 1094033853 /nfs/dbraw/zinc/03/38/53/1094033853.db2.gz YINNBXZHQOXXGO-UHFFFAOYSA-N -1 3 343.350 2.569 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(OCc3ccnc(C#N)c3)c2c1 ZINC001592210799 1094033856 /nfs/dbraw/zinc/03/38/56/1094033856.db2.gz YINNBXZHQOXXGO-UHFFFAOYSA-N -1 3 343.350 2.569 20 30 EFEDHM Cc1ccccc1SC[C@@H](C)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001592259666 1094056044 /nfs/dbraw/zinc/05/60/44/1094056044.db2.gz RPQXTPJYOCOPAC-NSHDSACASA-N -1 3 339.428 2.672 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1cc(Cl)ccc1Cl ZINC001592341432 1094083565 /nfs/dbraw/zinc/08/35/65/1094083565.db2.gz XWOXNOPYAIFHSB-UHFFFAOYSA-N -1 3 334.170 2.598 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1cc(Cl)ccc1Cl ZINC001592341432 1094083571 /nfs/dbraw/zinc/08/35/71/1094083571.db2.gz XWOXNOPYAIFHSB-UHFFFAOYSA-N -1 3 334.170 2.598 20 30 EFEDHM Clc1cccc2c1C(=NNc1ccc(-c3nn[n-]n3)cc1)CO2 ZINC001592536323 1094131227 /nfs/dbraw/zinc/13/12/27/1094131227.db2.gz UGGWXRNYVUHTEG-UHFFFAOYSA-N -1 3 326.747 2.729 20 30 EFEDHM Cn1ncc(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001592600894 1094137997 /nfs/dbraw/zinc/13/79/97/1094137997.db2.gz HGJACXZUQMZUEU-PLNGDYQASA-N -1 3 349.181 2.803 20 30 EFEDHM Cn1ncc(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001592600894 1094138000 /nfs/dbraw/zinc/13/80/00/1094138000.db2.gz HGJACXZUQMZUEU-PLNGDYQASA-N -1 3 349.181 2.803 20 30 EFEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NC1CCCOCC1 ZINC001592620128 1094141576 /nfs/dbraw/zinc/14/15/76/1094141576.db2.gz NOOPMIJOVRGZCB-UHFFFAOYSA-N -1 3 340.309 2.854 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NC1CCCOCC1 ZINC001592620128 1094141580 /nfs/dbraw/zinc/14/15/80/1094141580.db2.gz NOOPMIJOVRGZCB-UHFFFAOYSA-N -1 3 340.309 2.854 20 30 EFEDHM Fc1cc(Cl)cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592641621 1094156093 /nfs/dbraw/zinc/15/60/93/1094156093.db2.gz PCUNWNVTQFXURU-UHFFFAOYSA-N -1 3 330.754 2.783 20 30 EFEDHM Fc1cc(Cl)cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592641621 1094156096 /nfs/dbraw/zinc/15/60/96/1094156096.db2.gz PCUNWNVTQFXURU-UHFFFAOYSA-N -1 3 330.754 2.783 20 30 EFEDHM Fc1ccc(CON=C2CCCc3cc(-c4nnn[n-]4)cnc32)cc1 ZINC001592651549 1094164763 /nfs/dbraw/zinc/16/47/63/1094164763.db2.gz QLFCKRVMADDMGZ-UHFFFAOYSA-N -1 3 338.346 2.658 20 30 EFEDHM Fc1ccc(CON=C2CCCc3cc(-c4nn[n-]n4)cnc32)cc1 ZINC001592651549 1094164767 /nfs/dbraw/zinc/16/47/67/1094164767.db2.gz QLFCKRVMADDMGZ-UHFFFAOYSA-N -1 3 338.346 2.658 20 30 EFEDHM N#CC1(CCCCOC(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001592668854 1094173252 /nfs/dbraw/zinc/17/32/52/1094173252.db2.gz QMYRYDBYSYOBTM-UHFFFAOYSA-N -1 3 339.399 2.817 20 30 EFEDHM N#CC1(CCCCOC(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001592668854 1094173254 /nfs/dbraw/zinc/17/32/54/1094173254.db2.gz QMYRYDBYSYOBTM-UHFFFAOYSA-N -1 3 339.399 2.817 20 30 EFEDHM N#CC1(CCCCOC(=O)c2cscc2-c2nnn[n-]2)CCC1 ZINC001592668027 1094173679 /nfs/dbraw/zinc/17/36/79/1094173679.db2.gz CQSDYNPSWXCSAJ-UHFFFAOYSA-N -1 3 331.401 2.949 20 30 EFEDHM N#CC1(CCCCOC(=O)c2cscc2-c2nn[n-]n2)CCC1 ZINC001592668027 1094173685 /nfs/dbraw/zinc/17/36/85/1094173685.db2.gz CQSDYNPSWXCSAJ-UHFFFAOYSA-N -1 3 331.401 2.949 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCC1CCC1 ZINC001592669449 1094173787 /nfs/dbraw/zinc/17/37/87/1094173787.db2.gz RVAKOEYAYXUCAB-MRXNPFEDSA-N -1 3 339.399 2.672 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCC1CCC1 ZINC001592669449 1094173788 /nfs/dbraw/zinc/17/37/88/1094173788.db2.gz RVAKOEYAYXUCAB-MRXNPFEDSA-N -1 3 339.399 2.672 20 30 EFEDHM N#CC1(CNc2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)CC1 ZINC001592669809 1094173797 /nfs/dbraw/zinc/17/37/97/1094173797.db2.gz NOPZHKLDPBCELA-UHFFFAOYSA-N -1 3 325.763 2.784 20 30 EFEDHM N#CC1(CNc2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)CC1 ZINC001592669809 1094173799 /nfs/dbraw/zinc/17/37/99/1094173799.db2.gz NOPZHKLDPBCELA-UHFFFAOYSA-N -1 3 325.763 2.784 20 30 EFEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001592672030 1094174142 /nfs/dbraw/zinc/17/41/42/1094174142.db2.gz BCFWJYPPQUDSHG-GXSJLCMTSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@H]1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001592672030 1094174150 /nfs/dbraw/zinc/17/41/50/1094174150.db2.gz BCFWJYPPQUDSHG-GXSJLCMTSA-N -1 3 331.763 2.759 20 30 EFEDHM N#CCCCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592676350 1094174961 /nfs/dbraw/zinc/17/49/61/1094174961.db2.gz LWOAGOGRAYVCFU-UHFFFAOYSA-N -1 3 348.366 2.802 20 30 EFEDHM N#CCCCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592676350 1094174963 /nfs/dbraw/zinc/17/49/63/1094174963.db2.gz LWOAGOGRAYVCFU-UHFFFAOYSA-N -1 3 348.366 2.802 20 30 EFEDHM N#CC[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592675527 1094175089 /nfs/dbraw/zinc/17/50/89/1094175089.db2.gz QCPGPKDCMPGXBC-INIZCTEOSA-N -1 3 347.378 2.997 20 30 EFEDHM N#CC[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592675527 1094175094 /nfs/dbraw/zinc/17/50/94/1094175094.db2.gz QCPGPKDCMPGXBC-INIZCTEOSA-N -1 3 347.378 2.997 20 30 EFEDHM N#CC1CCC(CNc2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC001592671852 1094175206 /nfs/dbraw/zinc/17/52/06/1094175206.db2.gz YTYRUWOAIKCQRM-UHFFFAOYSA-N -1 3 333.399 2.579 20 30 EFEDHM N#CC1CCC(CNc2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC001592671852 1094175210 /nfs/dbraw/zinc/17/52/10/1094175210.db2.gz YTYRUWOAIKCQRM-UHFFFAOYSA-N -1 3 333.399 2.579 20 30 EFEDHM N#CCCCCCC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592674679 1094175470 /nfs/dbraw/zinc/17/54/70/1094175470.db2.gz JBZOZXIDFFRSDY-UHFFFAOYSA-N -1 3 332.795 2.610 20 30 EFEDHM N#CCCCCCC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592674679 1094175474 /nfs/dbraw/zinc/17/54/74/1094175474.db2.gz JBZOZXIDFFRSDY-UHFFFAOYSA-N -1 3 332.795 2.610 20 30 EFEDHM N#CC[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1 ZINC001592674068 1094175485 /nfs/dbraw/zinc/17/54/85/1094175485.db2.gz ZHPYHNJSWDLAHA-NSHDSACASA-N -1 3 348.357 2.594 20 30 EFEDHM N#Cc1c(F)cc(CNc2cccc(F)c2-c2nnn[n-]2)cc1F ZINC001592683973 1094175985 /nfs/dbraw/zinc/17/59/85/1094175985.db2.gz AZMXRSHEYUANAT-UHFFFAOYSA-N -1 3 330.273 2.768 20 30 EFEDHM N#Cc1c(F)cc(CNc2cccc(F)c2-c2nn[n-]n2)cc1F ZINC001592683973 1094175988 /nfs/dbraw/zinc/17/59/88/1094175988.db2.gz AZMXRSHEYUANAT-UHFFFAOYSA-N -1 3 330.273 2.768 20 30 EFEDHM N#CCCSc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001592677900 1094176147 /nfs/dbraw/zinc/17/61/47/1094176147.db2.gz IWQAONISBIHSAW-UHFFFAOYSA-N -1 3 328.170 2.774 20 30 EFEDHM N#CCCSc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001592677900 1094176150 /nfs/dbraw/zinc/17/61/50/1094176150.db2.gz IWQAONISBIHSAW-UHFFFAOYSA-N -1 3 328.170 2.774 20 30 EFEDHM N#Cc1c(COc2cc(F)cc(-c3nnn[n-]3)c2)cn2ccccc12 ZINC001592684332 1094176159 /nfs/dbraw/zinc/17/61/59/1094176159.db2.gz LUGYELJCQGWJSF-UHFFFAOYSA-N -1 3 334.314 2.709 20 30 EFEDHM N#Cc1c(COc2cc(F)cc(-c3nn[n-]n3)c2)cn2ccccc12 ZINC001592684332 1094176161 /nfs/dbraw/zinc/17/61/61/1094176161.db2.gz LUGYELJCQGWJSF-UHFFFAOYSA-N -1 3 334.314 2.709 20 30 EFEDHM N#CCc1cccc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001592679956 1094176190 /nfs/dbraw/zinc/17/61/90/1094176190.db2.gz HQDFOKIPUPZIKC-UHFFFAOYSA-N -1 3 325.763 2.593 20 30 EFEDHM N#CCc1cccc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001592679956 1094176193 /nfs/dbraw/zinc/17/61/93/1094176193.db2.gz HQDFOKIPUPZIKC-UHFFFAOYSA-N -1 3 325.763 2.593 20 30 EFEDHM N#CCc1cccc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001592680010 1094176314 /nfs/dbraw/zinc/17/63/14/1094176314.db2.gz KGNKLIZEUWSIJF-UHFFFAOYSA-N -1 3 344.378 2.603 20 30 EFEDHM N#CCc1cccc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001592680010 1094176318 /nfs/dbraw/zinc/17/63/18/1094176318.db2.gz KGNKLIZEUWSIJF-UHFFFAOYSA-N -1 3 344.378 2.603 20 30 EFEDHM N#CCc1ccnc(NCc2ccc(F)c(-c3nnn[n-]3)c2Cl)c1 ZINC001592681038 1094176463 /nfs/dbraw/zinc/17/64/63/1094176463.db2.gz UAHMKWXGOKGAPQ-UHFFFAOYSA-N -1 3 343.753 2.732 20 30 EFEDHM N#CCn1c(C=Cc2ccc(-c3nnn[n-]3)cc2)nc2ccccc21 ZINC001592680630 1094176708 /nfs/dbraw/zinc/17/67/08/1094176708.db2.gz AQEFHPCSNMKOJK-JXMROGBWSA-N -1 3 327.351 2.910 20 30 EFEDHM N#CCn1c(C=Cc2ccc(-c3nn[n-]n3)cc2)nc2ccccc21 ZINC001592680630 1094176711 /nfs/dbraw/zinc/17/67/11/1094176711.db2.gz AQEFHPCSNMKOJK-JXMROGBWSA-N -1 3 327.351 2.910 20 30 EFEDHM N#Cc1c(F)cccc1CN[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592686693 1094176802 /nfs/dbraw/zinc/17/68/02/1094176802.db2.gz MRACGERTWUNBTL-KRWDZBQOSA-N -1 3 334.358 2.655 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H](F)CC2CCCCC2)ccc1-c1nnn[n-]1 ZINC001592689502 1094177319 /nfs/dbraw/zinc/17/73/19/1094177319.db2.gz HSURAUHZDBEPIO-OAHLLOKOSA-N -1 3 342.378 2.985 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H](F)CC2CCCCC2)ccc1-c1nn[n-]n1 ZINC001592689502 1094177322 /nfs/dbraw/zinc/17/73/22/1094177322.db2.gz HSURAUHZDBEPIO-OAHLLOKOSA-N -1 3 342.378 2.985 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc(Cl)cs2)ccc1-c1nnn[n-]1 ZINC001592689089 1094177413 /nfs/dbraw/zinc/17/74/13/1094177413.db2.gz AQKZLRZSGGILFV-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc(Cl)cs2)ccc1-c1nn[n-]n1 ZINC001592689089 1094177415 /nfs/dbraw/zinc/17/74/15/1094177415.db2.gz AQKZLRZSGGILFV-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(F)cc(C2(C(=O)Oc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001592689536 1094177968 /nfs/dbraw/zinc/17/79/68/1094177968.db2.gz JRMWHLFHVHEIAI-UHFFFAOYSA-N -1 3 349.325 2.515 20 30 EFEDHM N#Cc1cc(F)cc(C2(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001592689536 1094177971 /nfs/dbraw/zinc/17/79/71/1094177971.db2.gz JRMWHLFHVHEIAI-UHFFFAOYSA-N -1 3 349.325 2.515 20 30 EFEDHM N#Cc1ccc(CN(C(=O)c2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC001592693029 1094178735 /nfs/dbraw/zinc/17/87/35/1094178735.db2.gz WRPQFJRXBZVKSP-UHFFFAOYSA-N -1 3 344.378 2.543 20 30 EFEDHM N#Cc1ccc(CN(C(=O)c2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC001592693029 1094178741 /nfs/dbraw/zinc/17/87/41/1094178741.db2.gz WRPQFJRXBZVKSP-UHFFFAOYSA-N -1 3 344.378 2.543 20 30 EFEDHM N#Cc1ccc(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001592690941 1094179021 /nfs/dbraw/zinc/17/90/21/1094179021.db2.gz RUMGFESPVKOHLV-KRWDZBQOSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001592690941 1094179023 /nfs/dbraw/zinc/17/90/23/1094179023.db2.gz RUMGFESPVKOHLV-KRWDZBQOSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc(CNc2ncc(-c3nnn[n-]3)c3ccsc32)cc1 ZINC001592694535 1094179082 /nfs/dbraw/zinc/17/90/82/1094179082.db2.gz ZGIVONBOEPTENO-UHFFFAOYSA-N -1 3 333.380 2.960 20 30 EFEDHM N#Cc1ccc(CNc2ncc(-c3nn[n-]n3)c3ccsc32)cc1 ZINC001592694535 1094179088 /nfs/dbraw/zinc/17/90/88/1094179088.db2.gz ZGIVONBOEPTENO-UHFFFAOYSA-N -1 3 333.380 2.960 20 30 EFEDHM N#Cc1cc(NC(=O)c2cscc2C(F)F)ccc1-c1nnn[n-]1 ZINC001592690420 1094179322 /nfs/dbraw/zinc/17/93/22/1094179322.db2.gz ZMKYNNXMYIKOGS-UHFFFAOYSA-N -1 3 346.322 2.990 20 30 EFEDHM N#Cc1cc(NC(=O)c2cscc2C(F)F)ccc1-c1nn[n-]n1 ZINC001592690420 1094179327 /nfs/dbraw/zinc/17/93/27/1094179327.db2.gz ZMKYNNXMYIKOGS-UHFFFAOYSA-N -1 3 346.322 2.990 20 30 EFEDHM N#Cc1ccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1-c1nnn[n-]1 ZINC001592695545 1094180305 /nfs/dbraw/zinc/18/03/05/1094180305.db2.gz UNMNJZPSXURPDK-ZIAGYGMSSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)cc1-c1nn[n-]n1 ZINC001592695545 1094180311 /nfs/dbraw/zinc/18/03/11/1094180311.db2.gz UNMNJZPSXURPDK-ZIAGYGMSSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2CCOc1cccc(-c2nnn[n-]2)c1 ZINC001592698354 1094180608 /nfs/dbraw/zinc/18/06/08/1094180608.db2.gz YHQFKBAUHONSGV-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2CCOc1cccc(-c2nn[n-]n2)c1 ZINC001592698354 1094180610 /nfs/dbraw/zinc/18/06/10/1094180610.db2.gz YHQFKBAUHONSGV-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(C(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)n1 ZINC001592700495 1094182121 /nfs/dbraw/zinc/18/21/21/1094182121.db2.gz IZDBWOGOQSJQGM-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cccc(C(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)n1 ZINC001592700495 1094182126 /nfs/dbraw/zinc/18/21/26/1094182126.db2.gz IZDBWOGOQSJQGM-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H](O)c1ccccc1Cl ZINC001592699348 1094182176 /nfs/dbraw/zinc/18/21/76/1094182176.db2.gz WPONMAJNRDFUSU-AWEZNQCLSA-N -1 3 340.774 2.537 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H](O)c1ccccc1Cl ZINC001592699348 1094182181 /nfs/dbraw/zinc/18/21/81/1094182181.db2.gz WPONMAJNRDFUSU-AWEZNQCLSA-N -1 3 340.774 2.537 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1cnn(Cc2ccccc2)c1 ZINC001592700670 1094182207 /nfs/dbraw/zinc/18/22/07/1094182207.db2.gz OSMLFHOLLGQZBD-UHFFFAOYSA-N -1 3 342.366 2.727 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1cnn(Cc2ccccc2)c1 ZINC001592700670 1094182214 /nfs/dbraw/zinc/18/22/14/1094182214.db2.gz OSMLFHOLLGQZBD-UHFFFAOYSA-N -1 3 342.366 2.727 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCSCCC(F)(F)F ZINC001592700062 1094182251 /nfs/dbraw/zinc/18/22/51/1094182251.db2.gz ZIKZUCCPRYALND-UHFFFAOYSA-N -1 3 342.350 2.836 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCSCCC(F)(F)F ZINC001592700062 1094182256 /nfs/dbraw/zinc/18/22/56/1094182256.db2.gz ZIKZUCCPRYALND-UHFFFAOYSA-N -1 3 342.350 2.836 20 30 EFEDHM N#Cc1nccc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC001592709754 1094183161 /nfs/dbraw/zinc/18/31/61/1094183161.db2.gz OJJUDNPGMSVJBY-UHFFFAOYSA-N -1 3 349.301 2.698 20 30 EFEDHM N#Cc1nccc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC001592709754 1094183163 /nfs/dbraw/zinc/18/31/63/1094183163.db2.gz OJJUDNPGMSVJBY-UHFFFAOYSA-N -1 3 349.301 2.698 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccnn1C1CCC1 ZINC001592790979 1094186876 /nfs/dbraw/zinc/18/68/76/1094186876.db2.gz BGDIPSCZLZWJMG-GQCTYLIASA-N -1 3 326.385 2.746 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cnn(CC2CCC2)c1 ZINC001592792046 1094187734 /nfs/dbraw/zinc/18/77/34/1094187734.db2.gz SZUXCXYZUDBBHB-XQRVVYSFSA-N -1 3 340.412 2.821 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccccc1-c1nnn[n-]1 ZINC001592794048 1094187868 /nfs/dbraw/zinc/18/78/68/1094187868.db2.gz IJERSWDJFUDODS-HJWRWDBZSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccccc1-c1nn[n-]n1 ZINC001592794048 1094187871 /nfs/dbraw/zinc/18/78/71/1094187871.db2.gz IJERSWDJFUDODS-HJWRWDBZSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cnn(CC2CCC2)c1 ZINC001592795408 1094188916 /nfs/dbraw/zinc/18/89/16/1094188916.db2.gz ZNHJFLCNYRRWRO-BQYQJAHWSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cnn(CC2CCC2)c1 ZINC001592795408 1094188918 /nfs/dbraw/zinc/18/89/18/1094188918.db2.gz ZNHJFLCNYRRWRO-BQYQJAHWSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1csc(-c2nnn[n-]2)c1)c1cnn(CC2CCC2)c1 ZINC001592804050 1094192439 /nfs/dbraw/zinc/19/24/39/1094192439.db2.gz SZMHRJPGDHIOPI-PLNGDYQASA-N -1 3 340.412 2.821 20 30 EFEDHM O=C(c1ccc(-c2nnn[n-]2)cc1)N(O)CCCCc1ccccc1 ZINC001593334931 1094289850 /nfs/dbraw/zinc/28/98/50/1094289850.db2.gz HGPXPSKBRVDGRK-UHFFFAOYSA-N -1 3 337.383 2.721 20 30 EFEDHM O=C(c1ccc(-c2nn[n-]n2)cc1)N(O)CCCCc1ccccc1 ZINC001593334931 1094289860 /nfs/dbraw/zinc/28/98/60/1094289860.db2.gz HGPXPSKBRVDGRK-UHFFFAOYSA-N -1 3 337.383 2.721 20 30 EFEDHM O=C(c1cscc1-c1nnn[n-]1)N(O)Cc1ccccc1Cl ZINC001593371332 1094300668 /nfs/dbraw/zinc/30/06/68/1094300668.db2.gz HCYQAIAAIDSUBT-UHFFFAOYSA-N -1 3 335.776 2.613 20 30 EFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Oc2cc(F)cc(F)c21 ZINC001593376450 1094302640 /nfs/dbraw/zinc/30/26/40/1094302640.db2.gz NQBXXHQNWVXMSR-WCIBSUBMSA-N -1 3 332.291 2.823 20 30 EFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Oc2cc(F)cc(F)c21 ZINC001593376450 1094302647 /nfs/dbraw/zinc/30/26/47/1094302647.db2.gz NQBXXHQNWVXMSR-WCIBSUBMSA-N -1 3 332.291 2.823 20 30 EFEDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc([O-])cc(O)c1 ZINC000588594705 1094303110 /nfs/dbraw/zinc/30/31/10/1094303110.db2.gz NCOIDVSYRNWHKB-RQOWECAXSA-N -1 3 330.252 2.810 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1csc([N+](=O)[O-])c1 ZINC001593380460 1094303994 /nfs/dbraw/zinc/30/39/94/1094303994.db2.gz QKNCYYPNNTUAJE-JYOAFUTRSA-N -1 3 339.336 2.659 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1csc([N+](=O)[O-])c1 ZINC001593380460 1094304003 /nfs/dbraw/zinc/30/40/03/1094304003.db2.gz QKNCYYPNNTUAJE-JYOAFUTRSA-N -1 3 339.336 2.659 20 30 EFEDHM Oc1cccc(C=NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c1O ZINC001593540322 1094352797 /nfs/dbraw/zinc/35/27/97/1094352797.db2.gz SUWHEAANMPAQOS-IUXPMGMMSA-N -1 3 329.747 2.550 20 30 EFEDHM Oc1cccc(C=NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c1O ZINC001593540322 1094352804 /nfs/dbraw/zinc/35/28/04/1094352804.db2.gz SUWHEAANMPAQOS-IUXPMGMMSA-N -1 3 329.747 2.550 20 30 EFEDHM Oc1ccccc1C=NCCSCc1ccccc1-c1nnn[n-]1 ZINC001593539722 1094353188 /nfs/dbraw/zinc/35/31/88/1094353188.db2.gz FHEYZFNOLVMPKE-WOJGMQOQSA-N -1 3 339.424 2.925 20 30 EFEDHM Oc1ccccc1C=NCCSCc1ccccc1-c1nn[n-]n1 ZINC001593539722 1094353190 /nfs/dbraw/zinc/35/31/90/1094353190.db2.gz FHEYZFNOLVMPKE-WOJGMQOQSA-N -1 3 339.424 2.925 20 30 EFEDHM Cc1c(C(=O)[O-])cc(CN[C@H](C)c2ccc(OCC#N)cc2)n1C ZINC001599995496 1094708994 /nfs/dbraw/zinc/70/89/94/1094708994.db2.gz QRHQWSASVGEMFN-GFCCVEGCSA-N -1 3 327.384 2.785 20 30 EFEDHM Cc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)c(-c2cnn(C)c2)c1 ZINC001600413730 1095045545 /nfs/dbraw/zinc/04/55/45/1095045545.db2.gz XSABZTYXHDSCSF-UHFFFAOYSA-N -1 3 338.411 2.586 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)C(=O)Cc3cccc(C(=O)[O-])c3)nc21 ZINC001600555919 1095162035 /nfs/dbraw/zinc/16/20/35/1095162035.db2.gz RVSNEFVNJNTXNQ-AWEZNQCLSA-N -1 3 333.347 2.989 20 30 EFEDHM N#CC(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1ccc2ccccc2n1 ZINC001601047072 1095478775 /nfs/dbraw/zinc/47/87/75/1095478775.db2.gz HZSPCOCNNIQUPD-ZNMIVQPWSA-N -1 3 338.363 2.681 20 30 EFEDHM C#CC[C@@H](NCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC001602693777 1096351576 /nfs/dbraw/zinc/35/15/76/1096351576.db2.gz AIYBTMDTGYESIT-SNVBAGLBSA-N -1 3 348.143 2.617 20 30 EFEDHM C#CC[C@@H]1CCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)C1 ZINC001602700017 1096352698 /nfs/dbraw/zinc/35/26/98/1096352698.db2.gz PBYXORRZDYQPMM-OAHLLOKOSA-N -1 3 349.438 2.550 20 30 EFEDHM C#CC[C@@H]1CCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)C1 ZINC001602700017 1096352706 /nfs/dbraw/zinc/35/27/06/1096352706.db2.gz PBYXORRZDYQPMM-OAHLLOKOSA-N -1 3 349.438 2.550 20 30 EFEDHM C#CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001602698063 1096352963 /nfs/dbraw/zinc/35/29/63/1096352963.db2.gz YCSJCWROQJZXAN-MRXNPFEDSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001602698063 1096352971 /nfs/dbraw/zinc/35/29/71/1096352971.db2.gz YCSJCWROQJZXAN-MRXNPFEDSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CCCCCCc1nnc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001602711155 1096354565 /nfs/dbraw/zinc/35/45/65/1096354565.db2.gz KMDMQOGYKLTLLG-UHFFFAOYSA-N -1 3 338.371 2.565 20 30 EFEDHM C#CCCCCCc1nnc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001602711155 1096354572 /nfs/dbraw/zinc/35/45/72/1096354572.db2.gz KMDMQOGYKLTLLG-UHFFFAOYSA-N -1 3 338.371 2.565 20 30 EFEDHM C#CCOc1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001602730341 1096356745 /nfs/dbraw/zinc/35/67/45/1096356745.db2.gz CEMGVPNHCQCHQR-UHFFFAOYSA-N -1 3 338.407 2.824 20 30 EFEDHM C#Cc1cccc(N(C(=O)c2ccc(-c3nnn[n-]3)c(C)n2)C(C)C)c1 ZINC001602741372 1096359929 /nfs/dbraw/zinc/35/99/29/1096359929.db2.gz IPRZFTODBLLLFN-UHFFFAOYSA-N -1 3 346.394 2.607 20 30 EFEDHM C#Cc1cccc(N(C(=O)c2ccc(-c3nn[n-]n3)c(C)n2)C(C)C)c1 ZINC001602741372 1096359934 /nfs/dbraw/zinc/35/99/34/1096359934.db2.gz IPRZFTODBLLLFN-UHFFFAOYSA-N -1 3 346.394 2.607 20 30 EFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(Cc2ccccc2)c1 ZINC001602746914 1096360963 /nfs/dbraw/zinc/36/09/63/1096360963.db2.gz RZZXJATWVDABLV-UHFFFAOYSA-N -1 3 344.382 2.558 20 30 EFEDHM C=C(C)[C@@H](C)OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602752570 1096362730 /nfs/dbraw/zinc/36/27/30/1096362730.db2.gz FAPVSKGEIDBYKS-DOMZBBRYSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C(C)[C@@H](C)OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602752570 1096362737 /nfs/dbraw/zinc/36/27/37/1096362737.db2.gz FAPVSKGEIDBYKS-DOMZBBRYSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001602752299 1096363306 /nfs/dbraw/zinc/36/33/06/1096363306.db2.gz AOTLGQFWBQUPLO-GWCFXTLKSA-N -1 3 342.428 2.870 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001602752299 1096363312 /nfs/dbraw/zinc/36/33/12/1096363312.db2.gz AOTLGQFWBQUPLO-GWCFXTLKSA-N -1 3 342.428 2.870 20 30 EFEDHM C=C(C)[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1)OCC ZINC001602754058 1096363364 /nfs/dbraw/zinc/36/33/64/1096363364.db2.gz YBZUEDKWIPFRRJ-CQSZACIVSA-N -1 3 349.822 2.508 20 30 EFEDHM C=C(C)[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1)OCC ZINC001602754058 1096363373 /nfs/dbraw/zinc/36/33/73/1096363373.db2.gz YBZUEDKWIPFRRJ-CQSZACIVSA-N -1 3 349.822 2.508 20 30 EFEDHM C=C(C)CCc1noc([C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001602758139 1096364353 /nfs/dbraw/zinc/36/43/53/1096364353.db2.gz BIOQXKSINIUBPZ-NSHDSACASA-N -1 3 326.360 2.898 20 30 EFEDHM C=C1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CC1 ZINC001602776619 1096369612 /nfs/dbraw/zinc/36/96/12/1096369612.db2.gz FHGBTVNKHBUIID-UHFFFAOYSA-N -1 3 342.403 2.838 20 30 EFEDHM C=C1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CC1 ZINC001602776619 1096369621 /nfs/dbraw/zinc/36/96/21/1096369621.db2.gz FHGBTVNKHBUIID-UHFFFAOYSA-N -1 3 342.403 2.838 20 30 EFEDHM C=C1CCC(C(=O)Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC001602775119 1096369671 /nfs/dbraw/zinc/36/96/71/1096369671.db2.gz HJPXLSXHTGAWID-UHFFFAOYSA-N -1 3 338.415 2.825 20 30 EFEDHM C=C1CCC(C(=O)Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC001602775119 1096369680 /nfs/dbraw/zinc/36/96/80/1096369680.db2.gz HJPXLSXHTGAWID-UHFFFAOYSA-N -1 3 338.415 2.825 20 30 EFEDHM C=C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001602780099 1096369730 /nfs/dbraw/zinc/36/97/30/1096369730.db2.gz IUQXSWAMFKFYSV-CQSZACIVSA-N -1 3 337.358 2.592 20 30 EFEDHM C=C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001602780099 1096369739 /nfs/dbraw/zinc/36/97/39/1096369739.db2.gz IUQXSWAMFKFYSV-CQSZACIVSA-N -1 3 337.358 2.592 20 30 EFEDHM C=C1CN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cc3C)cc2)C1 ZINC001602776597 1096369810 /nfs/dbraw/zinc/36/98/10/1096369810.db2.gz DORWKAKNLOWART-UHFFFAOYSA-N -1 3 347.378 2.979 20 30 EFEDHM C=C1CN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cc3C)cc2)C1 ZINC001602776597 1096369819 /nfs/dbraw/zinc/36/98/19/1096369819.db2.gz DORWKAKNLOWART-UHFFFAOYSA-N -1 3 347.378 2.979 20 30 EFEDHM C=CC(C)(C)CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001602786866 1096370430 /nfs/dbraw/zinc/37/04/30/1096370430.db2.gz NSZHOYADEXJQGA-UHFFFAOYSA-N -1 3 345.472 2.818 20 30 EFEDHM C=CC(C)(C)CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001602786866 1096370439 /nfs/dbraw/zinc/37/04/39/1096370439.db2.gz NSZHOYADEXJQGA-UHFFFAOYSA-N -1 3 345.472 2.818 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602793889 1096372004 /nfs/dbraw/zinc/37/20/04/1096372004.db2.gz FYVYNHZAQBWYLF-UGSOOPFHSA-N -1 3 343.431 2.615 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602793889 1096372013 /nfs/dbraw/zinc/37/20/13/1096372013.db2.gz FYVYNHZAQBWYLF-UGSOOPFHSA-N -1 3 343.431 2.615 20 30 EFEDHM C=CCC1(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602818363 1096374938 /nfs/dbraw/zinc/37/49/38/1096374938.db2.gz OIRSMMRFURTSOD-UHFFFAOYSA-N -1 3 343.456 2.964 20 30 EFEDHM C=CCC1(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602818363 1096374946 /nfs/dbraw/zinc/37/49/46/1096374946.db2.gz OIRSMMRFURTSOD-UHFFFAOYSA-N -1 3 343.456 2.964 20 30 EFEDHM C=CC[C@H](C=C)OC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001602811112 1096375488 /nfs/dbraw/zinc/37/54/88/1096375488.db2.gz DDETXKOBWMILSL-AWEZNQCLSA-N -1 3 328.347 2.711 20 30 EFEDHM C=CC[C@H](C=C)OC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001602811112 1096375494 /nfs/dbraw/zinc/37/54/94/1096375494.db2.gz DDETXKOBWMILSL-AWEZNQCLSA-N -1 3 328.347 2.711 20 30 EFEDHM C=CC[C@@H](C=C)OC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001602811113 1096375878 /nfs/dbraw/zinc/37/58/78/1096375878.db2.gz DDETXKOBWMILSL-CQSZACIVSA-N -1 3 328.347 2.711 20 30 EFEDHM C=CC[C@@H](C=C)OC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001602811113 1096375879 /nfs/dbraw/zinc/37/58/79/1096375879.db2.gz DDETXKOBWMILSL-CQSZACIVSA-N -1 3 328.347 2.711 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001602825247 1096377089 /nfs/dbraw/zinc/37/70/89/1096377089.db2.gz WPIQTFANJXBJIO-LBPRGKRZSA-N -1 3 344.394 2.504 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001602825247 1096377096 /nfs/dbraw/zinc/37/70/96/1096377096.db2.gz WPIQTFANJXBJIO-LBPRGKRZSA-N -1 3 344.394 2.504 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602834174 1096380125 /nfs/dbraw/zinc/38/01/25/1096380125.db2.gz JIIFFGJDUDUTHZ-NSHDSACASA-N -1 3 332.383 2.550 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602834174 1096380133 /nfs/dbraw/zinc/38/01/33/1096380133.db2.gz JIIFFGJDUDUTHZ-NSHDSACASA-N -1 3 332.383 2.550 20 30 EFEDHM C=CCCCN(CC)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602840391 1096381028 /nfs/dbraw/zinc/38/10/28/1096381028.db2.gz YMJDYVBIVCNIPS-UHFFFAOYSA-N -1 3 325.416 2.713 20 30 EFEDHM C=CCCCN(CC)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602840391 1096381033 /nfs/dbraw/zinc/38/10/33/1096381033.db2.gz YMJDYVBIVCNIPS-UHFFFAOYSA-N -1 3 325.416 2.713 20 30 EFEDHM C=CCCN(Cc1ccncc1-c1nnn[n-]1)OCc1ccccc1 ZINC001602841344 1096381541 /nfs/dbraw/zinc/38/15/41/1096381541.db2.gz VEITWWDVRMPAOH-UHFFFAOYSA-N -1 3 336.399 2.772 20 30 EFEDHM C=CCCN(Cc1ccncc1-c1nn[n-]n1)OCc1ccccc1 ZINC001602841344 1096381549 /nfs/dbraw/zinc/38/15/49/1096381549.db2.gz VEITWWDVRMPAOH-UHFFFAOYSA-N -1 3 336.399 2.772 20 30 EFEDHM C=CCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001602847350 1096382455 /nfs/dbraw/zinc/38/24/55/1096382455.db2.gz RCZAVYFUVQLEIE-UHFFFAOYSA-N -1 3 336.399 2.532 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(CC)n1 ZINC001602858325 1096387336 /nfs/dbraw/zinc/38/73/36/1096387336.db2.gz OGUCYAUAGBKPJU-UHFFFAOYSA-N -1 3 348.410 2.653 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(CC)n1 ZINC001602858325 1096387343 /nfs/dbraw/zinc/38/73/43/1096387343.db2.gz OGUCYAUAGBKPJU-UHFFFAOYSA-N -1 3 348.410 2.653 20 30 EFEDHM C=CCO[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC001602867154 1096388653 /nfs/dbraw/zinc/38/86/53/1096388653.db2.gz XEHBXEAVLMULDJ-ZDUSSCGKSA-N -1 3 336.399 2.505 20 30 EFEDHM C=CCO[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC001602867154 1096388662 /nfs/dbraw/zinc/38/86/62/1096388662.db2.gz XEHBXEAVLMULDJ-ZDUSSCGKSA-N -1 3 336.399 2.505 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@@H](C)CC2 ZINC001602869846 1096388951 /nfs/dbraw/zinc/38/89/51/1096388951.db2.gz DYJSAOHGPTXFET-VHSXEESVSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@@H](C)CC2 ZINC001602869846 1096388958 /nfs/dbraw/zinc/38/89/58/1096388958.db2.gz DYJSAOHGPTXFET-VHSXEESVSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCO[C@@H]1CCN(c2nc3ccccc3c(C)c2-c2nnn[n-]2)C1 ZINC001602866724 1096389797 /nfs/dbraw/zinc/38/97/97/1096389797.db2.gz KAQXJEKHRPVRPG-CYBMUJFWSA-N -1 3 336.399 2.505 20 30 EFEDHM C=CCO[C@@H]1CCN(c2nc3ccccc3c(C)c2-c2nn[n-]n2)C1 ZINC001602866724 1096389804 /nfs/dbraw/zinc/38/98/04/1096389804.db2.gz KAQXJEKHRPVRPG-CYBMUJFWSA-N -1 3 336.399 2.505 20 30 EFEDHM C=CCOc1cccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001602870202 1096390145 /nfs/dbraw/zinc/39/01/45/1096390145.db2.gz ITAAUBFQMLNYHA-UHFFFAOYSA-N -1 3 339.330 2.823 20 30 EFEDHM C=CCOc1cccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001602870202 1096390152 /nfs/dbraw/zinc/39/01/52/1096390152.db2.gz ITAAUBFQMLNYHA-UHFFFAOYSA-N -1 3 339.330 2.823 20 30 EFEDHM C=CCc1cc(C=Cc2cc(-c3nnn[n-]3)ccn2)cc(OC)c1O ZINC001602875523 1096392487 /nfs/dbraw/zinc/39/24/87/1096392487.db2.gz HCBZHEMQCIQQPG-AATRIKPKSA-N -1 3 335.367 2.875 20 30 EFEDHM C=CCc1cc(C=Cc2cc(-c3nn[n-]n3)ccn2)cc(OC)c1O ZINC001602875523 1096392495 /nfs/dbraw/zinc/39/24/95/1096392495.db2.gz HCBZHEMQCIQQPG-AATRIKPKSA-N -1 3 335.367 2.875 20 30 EFEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001602906044 1096396132 /nfs/dbraw/zinc/39/61/32/1096396132.db2.gz AXMVHBQDWAEOHF-LBPRGKRZSA-N -1 3 348.838 2.791 20 30 EFEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001602906044 1096396137 /nfs/dbraw/zinc/39/61/37/1096396137.db2.gz AXMVHBQDWAEOHF-LBPRGKRZSA-N -1 3 348.838 2.791 20 30 EFEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1ccccc1-c1nnn[n-]1 ZINC001602908126 1096397289 /nfs/dbraw/zinc/39/72/89/1096397289.db2.gz LWISKDPQZFSKDT-UHFFFAOYSA-N -1 3 336.403 2.790 20 30 EFEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1ccccc1-c1nn[n-]n1 ZINC001602908126 1096397295 /nfs/dbraw/zinc/39/72/95/1096397295.db2.gz LWISKDPQZFSKDT-UHFFFAOYSA-N -1 3 336.403 2.790 20 30 EFEDHM CC(=NNC[C@@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602906185 1096397761 /nfs/dbraw/zinc/39/77/61/1096397761.db2.gz GUGXOPNXAIIXOX-NSHDSACASA-N -1 3 338.337 2.755 20 30 EFEDHM CC(=NNC[C@@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602906185 1096397768 /nfs/dbraw/zinc/39/77/68/1096397768.db2.gz GUGXOPNXAIIXOX-NSHDSACASA-N -1 3 338.337 2.755 20 30 EFEDHM CC(C)c1nc(C#N)c(N=NC(C)c2ccccc2-c2nnn[n-]2)o1 ZINC001602912545 1096400298 /nfs/dbraw/zinc/40/02/98/1096400298.db2.gz UNPSIFRTMDESNR-UHFFFAOYSA-N -1 3 336.359 2.686 20 30 EFEDHM CC(C)c1nc(C#N)c(N=NC(C)c2ccccc2-c2nn[n-]n2)o1 ZINC001602912545 1096400301 /nfs/dbraw/zinc/40/03/01/1096400301.db2.gz UNPSIFRTMDESNR-UHFFFAOYSA-N -1 3 336.359 2.686 20 30 EFEDHM CC(C)(C(=O)OCC1(C#N)CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603050526 1096424916 /nfs/dbraw/zinc/42/49/16/1096424916.db2.gz QTUQMYVAXANBQH-UHFFFAOYSA-N -1 3 339.399 2.771 20 30 EFEDHM CC(C)(C(=O)OCC1(C#N)CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603050526 1096424919 /nfs/dbraw/zinc/42/49/19/1096424919.db2.gz QTUQMYVAXANBQH-UHFFFAOYSA-N -1 3 339.399 2.771 20 30 EFEDHM CC(C)(C(=O)O[C@@H]1CC[C@@H](C#N)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603048354 1096425165 /nfs/dbraw/zinc/42/51/65/1096425165.db2.gz GIOQCIZCLADCGC-QMTHXVAHSA-N -1 3 343.362 2.519 20 30 EFEDHM CC(C)(C(=O)O[C@@H]1CC[C@@H](C#N)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603048354 1096425169 /nfs/dbraw/zinc/42/51/69/1096425169.db2.gz GIOQCIZCLADCGC-QMTHXVAHSA-N -1 3 343.362 2.519 20 30 EFEDHM CC(C)(C(=O)Nc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603048741 1096425408 /nfs/dbraw/zinc/42/54/08/1096425408.db2.gz QDQMAWJKWHOVBH-UHFFFAOYSA-N -1 3 332.367 2.655 20 30 EFEDHM CC(C)(C(=O)Nc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603048741 1096425413 /nfs/dbraw/zinc/42/54/13/1096425413.db2.gz QDQMAWJKWHOVBH-UHFFFAOYSA-N -1 3 332.367 2.655 20 30 EFEDHM CC(C)(C)C#CCOC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001603054924 1096426815 /nfs/dbraw/zinc/42/68/15/1096426815.db2.gz MMYLKDVKARJGTK-UHFFFAOYSA-N -1 3 342.374 2.630 20 30 EFEDHM CC(C)(C)C#CCOC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001603054924 1096426819 /nfs/dbraw/zinc/42/68/19/1096426819.db2.gz MMYLKDVKARJGTK-UHFFFAOYSA-N -1 3 342.374 2.630 20 30 EFEDHM CC(C)(C)Oc1ccc(NCc2cncc(-c3nnn[n-]3)c2)cc1C#N ZINC001603108510 1096446438 /nfs/dbraw/zinc/44/64/38/1096446438.db2.gz RXFGDPVWWFVEFN-UHFFFAOYSA-N -1 3 349.398 2.923 20 30 EFEDHM CC(C)(C)Oc1ccc(NCc2cncc(-c3nn[n-]n3)c2)cc1C#N ZINC001603108510 1096446442 /nfs/dbraw/zinc/44/64/42/1096446442.db2.gz RXFGDPVWWFVEFN-UHFFFAOYSA-N -1 3 349.398 2.923 20 30 EFEDHM CC(C)(C)OC(=O)NC(C)(C)CN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001603135029 1096456879 /nfs/dbraw/zinc/45/68/79/1096456879.db2.gz GTARCQFLQOARDH-UHFFFAOYSA-N -1 3 345.407 2.568 20 30 EFEDHM CC(C)(C)OC(=O)NC(C)(C)CN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001603135029 1096456884 /nfs/dbraw/zinc/45/68/84/1096456884.db2.gz GTARCQFLQOARDH-UHFFFAOYSA-N -1 3 345.407 2.568 20 30 EFEDHM CC(C)(NC(=O)CC#Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001603161118 1096463409 /nfs/dbraw/zinc/46/34/09/1096463409.db2.gz NZTIQPJZVDFQGO-UHFFFAOYSA-N -1 3 345.406 2.660 20 30 EFEDHM CC(C)(NC(=O)CC#Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001603161118 1096463417 /nfs/dbraw/zinc/46/34/17/1096463417.db2.gz NZTIQPJZVDFQGO-UHFFFAOYSA-N -1 3 345.406 2.660 20 30 EFEDHM CC(C)(O)c1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001603172321 1096465117 /nfs/dbraw/zinc/46/51/17/1096465117.db2.gz JACXFJWHFUWKOS-UHFFFAOYSA-N -1 3 334.383 2.578 20 30 EFEDHM CC(C)(O)c1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001603172321 1096465121 /nfs/dbraw/zinc/46/51/21/1096465121.db2.gz JACXFJWHFUWKOS-UHFFFAOYSA-N -1 3 334.383 2.578 20 30 EFEDHM CC(C)CCN(CCC#N)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603282716 1096494686 /nfs/dbraw/zinc/49/46/86/1096494686.db2.gz AWUVUWFWTSOKTQ-UHFFFAOYSA-N -1 3 329.364 2.541 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cn1)c1ccc(C#N)cc1 ZINC001603294204 1096498163 /nfs/dbraw/zinc/49/81/63/1096498163.db2.gz RSPPEUWARNLXMP-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cn1)c1ccc(C#N)cc1 ZINC001603294204 1096498164 /nfs/dbraw/zinc/49/81/64/1096498164.db2.gz RSPPEUWARNLXMP-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)c1nccnc1N=NC1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001603415997 1096524197 /nfs/dbraw/zinc/52/41/97/1096524197.db2.gz TVRAZDCIPQWAQQ-UHFFFAOYSA-N -1 3 334.387 2.543 20 30 EFEDHM C[C@H](CC#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001603443238 1096527944 /nfs/dbraw/zinc/52/79/44/1096527944.db2.gz QYBBMEYNIBAGBK-GFCCVEGCSA-N -1 3 332.367 2.566 20 30 EFEDHM C[C@H](CC#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001603443238 1096527951 /nfs/dbraw/zinc/52/79/51/1096527951.db2.gz QYBBMEYNIBAGBK-GFCCVEGCSA-N -1 3 332.367 2.566 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCC(C)(C)C#N ZINC001603578157 1096558067 /nfs/dbraw/zinc/55/80/67/1096558067.db2.gz LKBHDOPIEIBMCN-ZDUSSCGKSA-N -1 3 341.415 2.918 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCC(C)(C)C#N ZINC001603578157 1096558069 /nfs/dbraw/zinc/55/80/69/1096558069.db2.gz LKBHDOPIEIBMCN-ZDUSSCGKSA-N -1 3 341.415 2.918 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(C#N)CCCC1 ZINC001603579422 1096559227 /nfs/dbraw/zinc/55/92/27/1096559227.db2.gz UJEHCEOKQDYHQZ-ZDUSSCGKSA-N -1 3 339.399 2.672 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C#N)CCCC1 ZINC001603579422 1096559234 /nfs/dbraw/zinc/55/92/34/1096559234.db2.gz UJEHCEOKQDYHQZ-ZDUSSCGKSA-N -1 3 339.399 2.672 20 30 EFEDHM C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001603607349 1096564669 /nfs/dbraw/zinc/56/46/69/1096564669.db2.gz GSBFYNXILQUXKN-SGTLLEGYSA-N -1 3 336.399 2.518 20 30 EFEDHM C[C@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001603607349 1096564675 /nfs/dbraw/zinc/56/46/75/1096564675.db2.gz GSBFYNXILQUXKN-SGTLLEGYSA-N -1 3 336.399 2.518 20 30 EFEDHM C[C@H]([NH2+][C@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1cccc(C#N)c1[O-] ZINC001603655910 1096579284 /nfs/dbraw/zinc/57/92/84/1096579284.db2.gz GCQSMCHGXFPEFW-GTNSWQLSSA-N -1 3 346.394 2.782 20 30 EFEDHM C[C@H]([NH2+][C@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1cccc(C#N)c1[O-] ZINC001603655910 1096579294 /nfs/dbraw/zinc/57/92/94/1096579294.db2.gz GCQSMCHGXFPEFW-GTNSWQLSSA-N -1 3 346.394 2.782 20 30 EFEDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1 ZINC001603702539 1096594789 /nfs/dbraw/zinc/59/47/89/1096594789.db2.gz VUBSSEIBRGLAHN-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC001603702539 1096594795 /nfs/dbraw/zinc/59/47/95/1096594795.db2.gz VUBSSEIBRGLAHN-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM CC1(C#N)CCN(c2ncc(-c3nnn[n-]3)c3ccsc32)CC1 ZINC001603736000 1096609543 /nfs/dbraw/zinc/60/95/43/1096609543.db2.gz BEONGWRJPKVYFP-UHFFFAOYSA-N -1 3 325.401 2.606 20 30 EFEDHM CC1(C#N)CCN(c2ncc(-c3nn[n-]n3)c3ccsc32)CC1 ZINC001603736000 1096609551 /nfs/dbraw/zinc/60/95/51/1096609551.db2.gz BEONGWRJPKVYFP-UHFFFAOYSA-N -1 3 325.401 2.606 20 30 EFEDHM CC1(C)CCc2sc(NC(=O)CCCC#N)c(-c3nnn[n-]3)c21 ZINC001603779393 1096625258 /nfs/dbraw/zinc/62/52/58/1096625258.db2.gz MSVGNBJFUVCEBR-UHFFFAOYSA-N -1 3 330.417 2.784 20 30 EFEDHM CC1(C)CCc2sc(NC(=O)CCCC#N)c(-c3nn[n-]n3)c21 ZINC001603779393 1096625263 /nfs/dbraw/zinc/62/52/63/1096625263.db2.gz MSVGNBJFUVCEBR-UHFFFAOYSA-N -1 3 330.417 2.784 20 30 EFEDHM CC1(C)CCCN(CCCOc2cccc(-c3nnn[n-]3)c2)[C@@H]1C#N ZINC001603777916 1096625305 /nfs/dbraw/zinc/62/53/05/1096625305.db2.gz XPLSPDGCXDMXKQ-MRXNPFEDSA-N -1 3 340.431 2.650 20 30 EFEDHM CC1(C)CCCN(CCCOc2cccc(-c3nn[n-]n3)c2)[C@@H]1C#N ZINC001603777916 1096625307 /nfs/dbraw/zinc/62/53/07/1096625307.db2.gz XPLSPDGCXDMXKQ-MRXNPFEDSA-N -1 3 340.431 2.650 20 30 EFEDHM C[C@@H]1[C@@](F)(Cl)[C@]1(C)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001603836095 1096639321 /nfs/dbraw/zinc/63/93/21/1096639321.db2.gz PSKOMQLKNSIOPR-GHGOGRRBSA-N -1 3 344.181 2.873 20 30 EFEDHM C[C@@H]1[C@@](F)(Cl)[C@]1(C)CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001603836095 1096639325 /nfs/dbraw/zinc/63/93/25/1096639325.db2.gz PSKOMQLKNSIOPR-GHGOGRRBSA-N -1 3 344.181 2.873 20 30 EFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC001603879970 1096653585 /nfs/dbraw/zinc/65/35/85/1096653585.db2.gz CWZRKWXAOWGZDN-QLJPJBMISA-N -1 3 344.806 2.722 20 30 EFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC001603879970 1096653590 /nfs/dbraw/zinc/65/35/90/1096653590.db2.gz CWZRKWXAOWGZDN-QLJPJBMISA-N -1 3 344.806 2.722 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001603980512 1096686699 /nfs/dbraw/zinc/68/66/99/1096686699.db2.gz SMECXBIUJHFTIC-HNNXBMFYSA-N -1 3 330.417 2.685 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001603980512 1096686700 /nfs/dbraw/zinc/68/67/00/1096686700.db2.gz SMECXBIUJHFTIC-HNNXBMFYSA-N -1 3 330.417 2.685 20 30 EFEDHM CC[C@H](C)CON=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001604003760 1096694100 /nfs/dbraw/zinc/69/41/00/1096694100.db2.gz JGJJRXLQLMFOCV-LBPRGKRZSA-N -1 3 339.403 2.664 20 30 EFEDHM CC[C@H](C)CON=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001604003760 1096694105 /nfs/dbraw/zinc/69/41/05/1096694105.db2.gz JGJJRXLQLMFOCV-LBPRGKRZSA-N -1 3 339.403 2.664 20 30 EFEDHM CC[C@@H](CC#N)Nc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001604014805 1096698282 /nfs/dbraw/zinc/69/82/82/1096698282.db2.gz ZAECTNWHBRKTPR-ZETCQYMHSA-N -1 3 339.172 2.872 20 30 EFEDHM CC[C@@H](CC#N)Nc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001604014805 1096698293 /nfs/dbraw/zinc/69/82/93/1096698293.db2.gz ZAECTNWHBRKTPR-ZETCQYMHSA-N -1 3 339.172 2.872 20 30 EFEDHM CC[C@H](CC#N)Nc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001604014804 1096698569 /nfs/dbraw/zinc/69/85/69/1096698569.db2.gz ZAECTNWHBRKTPR-SSDOTTSWSA-N -1 3 339.172 2.872 20 30 EFEDHM CC[C@H](CC#N)Nc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001604014804 1096698575 /nfs/dbraw/zinc/69/85/75/1096698575.db2.gz ZAECTNWHBRKTPR-SSDOTTSWSA-N -1 3 339.172 2.872 20 30 EFEDHM CC[C@@H](CC#N)OC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001604013284 1096698793 /nfs/dbraw/zinc/69/87/93/1096698793.db2.gz GWTQOFFFSKBMPB-HNNXBMFYSA-N -1 3 339.399 2.914 20 30 EFEDHM CC[C@@H](CC#N)OC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001604013284 1096698797 /nfs/dbraw/zinc/69/87/97/1096698797.db2.gz GWTQOFFFSKBMPB-HNNXBMFYSA-N -1 3 339.399 2.914 20 30 EFEDHM CCCCCCO[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001604177079 1096762729 /nfs/dbraw/zinc/76/27/29/1096762729.db2.gz GDAFDDFCRPBYLP-GFCCVEGCSA-N -1 3 342.403 2.662 20 30 EFEDHM CCCCCCO[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001604177079 1096762733 /nfs/dbraw/zinc/76/27/33/1096762733.db2.gz GDAFDDFCRPBYLP-GFCCVEGCSA-N -1 3 342.403 2.662 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC001604318433 1096805432 /nfs/dbraw/zinc/80/54/32/1096805432.db2.gz JYYJDVYXHGSBDL-SCLBCKFNSA-N -1 3 347.378 2.615 20 30 EFEDHM CCOCCCN=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001604426752 1096848963 /nfs/dbraw/zinc/84/89/63/1096848963.db2.gz MERNSPOBHGMNHZ-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM CCOCCCN=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001604426752 1096848973 /nfs/dbraw/zinc/84/89/73/1096848973.db2.gz MERNSPOBHGMNHZ-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM CCOc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001604457687 1096864422 /nfs/dbraw/zinc/86/44/22/1096864422.db2.gz NKOGVHIBJGOBSQ-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2cccc(C#N)c2)s1 ZINC001604509815 1096885366 /nfs/dbraw/zinc/88/53/66/1096885366.db2.gz AIBPMOVCQSPFHQ-UHFFFAOYSA-N -1 3 338.396 2.543 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2cccc(C#N)c2)s1 ZINC001604509815 1096885372 /nfs/dbraw/zinc/88/53/72/1096885372.db2.gz AIBPMOVCQSPFHQ-UHFFFAOYSA-N -1 3 338.396 2.543 20 30 EFEDHM CN(C(=O)c1ccc(C#N)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001604658794 1096926022 /nfs/dbraw/zinc/92/60/22/1096926022.db2.gz POYVTTDWUOBQRA-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1ccc(C#N)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001604658794 1096926026 /nfs/dbraw/zinc/92/60/26/1096926026.db2.gz POYVTTDWUOBQRA-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001604970447 1096989066 /nfs/dbraw/zinc/98/90/66/1096989066.db2.gz WWJVTXNUQCWTPG-KHPPLWFESA-N -1 3 334.335 2.549 20 30 EFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001604970447 1096989071 /nfs/dbraw/zinc/98/90/71/1096989071.db2.gz WWJVTXNUQCWTPG-KHPPLWFESA-N -1 3 334.335 2.549 20 30 EFEDHM COc1cc(C)cc2c1OCC(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC001605203020 1097049773 /nfs/dbraw/zinc/04/97/73/1097049773.db2.gz PYPMMQJFSXCFCC-NTEUORMPSA-N -1 3 348.362 2.842 20 30 EFEDHM COc1cc(C)cc2c1OCC(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC001605203020 1097049780 /nfs/dbraw/zinc/04/97/80/1097049780.db2.gz PYPMMQJFSXCFCC-NTEUORMPSA-N -1 3 348.362 2.842 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc3c(c2)COC3)ccc1-c1nnn[n-]1 ZINC001605205629 1097051457 /nfs/dbraw/zinc/05/14/57/1097051457.db2.gz LPKJAFATSALFOZ-CLTKARDFSA-N -1 3 348.362 2.802 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc3c(c2)COC3)ccc1-c1nn[n-]n1 ZINC001605205629 1097051462 /nfs/dbraw/zinc/05/14/62/1097051462.db2.gz LPKJAFATSALFOZ-CLTKARDFSA-N -1 3 348.362 2.802 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC001605238593 1097064032 /nfs/dbraw/zinc/06/40/32/1097064032.db2.gz KSPUVVCDXZRDSE-WUXMJOGZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC001605238593 1097064039 /nfs/dbraw/zinc/06/40/39/1097064039.db2.gz KSPUVVCDXZRDSE-WUXMJOGZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(Oc2ccc(Cl)c(C#N)n2)ccc1-c1nnn[n-]1 ZINC001605239311 1097064962 /nfs/dbraw/zinc/06/49/62/1097064962.db2.gz YZKATQYIEDVLPG-UHFFFAOYSA-N -1 3 328.719 2.588 20 30 EFEDHM COc1cc(Oc2ccc(Cl)c(C#N)n2)ccc1-c1nn[n-]n1 ZINC001605239311 1097064968 /nfs/dbraw/zinc/06/49/68/1097064968.db2.gz YZKATQYIEDVLPG-UHFFFAOYSA-N -1 3 328.719 2.588 20 30 EFEDHM COc1cc2c(cc1OC)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)C2 ZINC001605239503 1097064984 /nfs/dbraw/zinc/06/49/84/1097064984.db2.gz BBAFWENCUJWSPG-NTUHNPAUSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc2c(cc1OC)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)C2 ZINC001605239503 1097064987 /nfs/dbraw/zinc/06/49/87/1097064987.db2.gz BBAFWENCUJWSPG-NTUHNPAUSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cccc(C=N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1O ZINC001605319999 1097094888 /nfs/dbraw/zinc/09/48/88/1097094888.db2.gz XIJWTNCNWITNJU-GDXCHIGESA-N -1 3 335.367 2.687 20 30 EFEDHM COc1cccc(C=N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1O ZINC001605319999 1097094897 /nfs/dbraw/zinc/09/48/97/1097094897.db2.gz XIJWTNCNWITNJU-GDXCHIGESA-N -1 3 335.367 2.687 20 30 EFEDHM COc1cccc2c1CCC(N=Nc1cccc(-c3nnn[n-]3)c1)C2 ZINC001605325591 1097097297 /nfs/dbraw/zinc/09/72/97/1097097297.db2.gz UCHUTMTVSBPFQP-UHFFFAOYSA-N -1 3 334.383 2.832 20 30 EFEDHM COc1cccc2c1CCC(N=Nc1cccc(-c3nn[n-]n3)c1)C2 ZINC001605325591 1097097302 /nfs/dbraw/zinc/09/73/02/1097097302.db2.gz UCHUTMTVSBPFQP-UHFFFAOYSA-N -1 3 334.383 2.832 20 30 EFEDHM CSc1ccc(CNc2cc(C#N)cc(C)n2)cc1-c1nnn[n-]1 ZINC001605387805 1097113700 /nfs/dbraw/zinc/11/37/00/1097113700.db2.gz SEVSBIHKIINYSE-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM CSc1ccc(CNc2cc(C#N)cc(C)n2)cc1-c1nn[n-]n1 ZINC001605387805 1097113704 /nfs/dbraw/zinc/11/37/04/1097113704.db2.gz SEVSBIHKIINYSE-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM C[C@H](Nc1c(C#N)cccc1-c1nnn[n-]1)c1ccc(Cl)cn1 ZINC001605441773 1097126443 /nfs/dbraw/zinc/12/64/43/1097126443.db2.gz DMYSCBMYSLTNKD-VIFPVBQESA-N -1 3 325.763 2.960 20 30 EFEDHM C[C@H](Nc1c(C#N)cccc1-c1nn[n-]n1)c1ccc(Cl)cn1 ZINC001605441773 1097126450 /nfs/dbraw/zinc/12/64/50/1097126450.db2.gz DMYSCBMYSLTNKD-VIFPVBQESA-N -1 3 325.763 2.960 20 30 EFEDHM Cc1c(C(=O)O[C@@H](C)c2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC001605484223 1097135802 /nfs/dbraw/zinc/13/58/02/1097135802.db2.gz SMCVTMHJJVAGIF-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c(C(=O)O[C@@H](C)c2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC001605484223 1097135803 /nfs/dbraw/zinc/13/58/03/1097135803.db2.gz SMCVTMHJJVAGIF-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)C[C@@H](CC#N)c2ccccc2)n1 ZINC001605529888 1097149322 /nfs/dbraw/zinc/14/93/22/1097149322.db2.gz SOTZJZQVZCLZLL-CQSZACIVSA-N -1 3 347.382 2.596 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)C[C@@H](CC#N)c2ccccc2)n1 ZINC001605529888 1097149326 /nfs/dbraw/zinc/14/93/26/1097149326.db2.gz SOTZJZQVZCLZLL-CQSZACIVSA-N -1 3 347.382 2.596 20 30 EFEDHM Cc1cc(Br)c(N2CCC(C#N)CC2)c(-c2nnn[n-]2)c1 ZINC001605587895 1097163887 /nfs/dbraw/zinc/16/38/87/1097163887.db2.gz UGCLCNADKPLVCU-UHFFFAOYSA-N -1 3 347.220 2.678 20 30 EFEDHM Cc1cc(Br)c(N2CCC(C#N)CC2)c(-c2nn[n-]n2)c1 ZINC001605587895 1097163894 /nfs/dbraw/zinc/16/38/94/1097163894.db2.gz UGCLCNADKPLVCU-UHFFFAOYSA-N -1 3 347.220 2.678 20 30 EFEDHM Cc1cc(C(=O)N(CCC#N)CCC(C)C)cc(C)c1-c1nnn[n-]1 ZINC001605593834 1097165858 /nfs/dbraw/zinc/16/58/58/1097165858.db2.gz MKYWEPBAEVOXNE-UHFFFAOYSA-N -1 3 340.431 2.886 20 30 EFEDHM Cc1cc(C(=O)N(CCC#N)CCC(C)C)cc(C)c1-c1nn[n-]n1 ZINC001605593834 1097165860 /nfs/dbraw/zinc/16/58/60/1097165860.db2.gz MKYWEPBAEVOXNE-UHFFFAOYSA-N -1 3 340.431 2.886 20 30 EFEDHM Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc(C)c1-c1nnn[n-]1 ZINC001605595353 1097166341 /nfs/dbraw/zinc/16/63/41/1097166341.db2.gz MINWVYLGDHGGAN-CQSZACIVSA-N -1 3 338.415 2.638 20 30 EFEDHM Cc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)cc(C)c1-c1nn[n-]n1 ZINC001605595353 1097166345 /nfs/dbraw/zinc/16/63/45/1097166345.db2.gz MINWVYLGDHGGAN-CQSZACIVSA-N -1 3 338.415 2.638 20 30 EFEDHM Cc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1C#N ZINC001605652174 1097180583 /nfs/dbraw/zinc/18/05/83/1097180583.db2.gz FORGXFJSPXJMDV-APSNUPSMSA-N -1 3 327.347 2.869 20 30 EFEDHM Cc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1C#N ZINC001605652174 1097180587 /nfs/dbraw/zinc/18/05/87/1097180587.db2.gz FORGXFJSPXJMDV-APSNUPSMSA-N -1 3 327.347 2.869 20 30 EFEDHM Cc1cc(C=C2CCCc3cc(-c4nnn[n-]4)ccc3C2=O)nn1C ZINC001605652783 1097181059 /nfs/dbraw/zinc/18/10/59/1097181059.db2.gz QTDJTOUTSQBDPV-RAXLEYEMSA-N -1 3 334.383 2.511 20 30 EFEDHM Cc1cc(C=C2CCCc3cc(-c4nn[n-]n4)ccc3C2=O)nn1C ZINC001605652783 1097181061 /nfs/dbraw/zinc/18/10/61/1097181061.db2.gz QTDJTOUTSQBDPV-RAXLEYEMSA-N -1 3 334.383 2.511 20 30 EFEDHM Cc1cc(NC(=O)c2[nH]c3ccccc3c2C#N)cc(-c2nnn[n-]2)c1 ZINC001605713670 1097204783 /nfs/dbraw/zinc/20/47/83/1097204783.db2.gz WSFNCPOOEHLOMZ-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1cc(NC(=O)c2[nH]c3ccccc3c2C#N)cc(-c2nn[n-]n2)c1 ZINC001605713670 1097204788 /nfs/dbraw/zinc/20/47/88/1097204788.db2.gz WSFNCPOOEHLOMZ-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1cc(N=NC2CCCCc3cc(-c4nnn[n-]4)ccc32)ncn1 ZINC001605739918 1097211346 /nfs/dbraw/zinc/21/13/46/1097211346.db2.gz NWGWFWYKRRGQJB-UHFFFAOYSA-N -1 3 334.387 2.508 20 30 EFEDHM Cc1cc(N=NC2CCCCc3cc(-c4nn[n-]n4)ccc32)ncn1 ZINC001605739918 1097211350 /nfs/dbraw/zinc/21/13/50/1097211350.db2.gz NWGWFWYKRRGQJB-UHFFFAOYSA-N -1 3 334.387 2.508 20 30 EFEDHM Cc1cc(OC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1C#N ZINC001605744611 1097213324 /nfs/dbraw/zinc/21/33/24/1097213324.db2.gz KLKJMALYGQOVPJ-UHFFFAOYSA-N -1 3 345.362 2.684 20 30 EFEDHM Cc1cc(OC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1C#N ZINC001605744611 1097213330 /nfs/dbraw/zinc/21/33/30/1097213330.db2.gz KLKJMALYGQOVPJ-UHFFFAOYSA-N -1 3 345.362 2.684 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC001605795301 1097227912 /nfs/dbraw/zinc/22/79/12/1097227912.db2.gz YWKBECTXXYKQMR-OOKWDQIISA-N -1 3 336.399 2.834 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC001605795301 1097227916 /nfs/dbraw/zinc/22/79/16/1097227916.db2.gz YWKBECTXXYKQMR-OOKWDQIISA-N -1 3 336.399 2.834 20 30 EFEDHM Cc1ccc(CN2CCCc3c(C#N)cccc32)cc1-c1nnn[n-]1 ZINC001605847784 1097250481 /nfs/dbraw/zinc/25/04/81/1097250481.db2.gz MVDUHMXRHHACSG-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1ccc(CN2CCCc3c(C#N)cccc32)cc1-c1nn[n-]n1 ZINC001605847784 1097250486 /nfs/dbraw/zinc/25/04/86/1097250486.db2.gz MVDUHMXRHHACSG-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1ccc(F)c(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)c1 ZINC001605863232 1097258211 /nfs/dbraw/zinc/25/82/11/1097258211.db2.gz ZHWRQROFWPEHGM-WQLSENKSSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc(F)c(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)c1 ZINC001605863232 1097258215 /nfs/dbraw/zinc/25/82/15/1097258215.db2.gz ZHWRQROFWPEHGM-WQLSENKSSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1cccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC001605920222 1097276602 /nfs/dbraw/zinc/27/66/02/1097276602.db2.gz PKDVFCNSXPZPAJ-INIZCTEOSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1cccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001605920222 1097276608 /nfs/dbraw/zinc/27/66/08/1097276608.db2.gz PKDVFCNSXPZPAJ-INIZCTEOSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1ccccc1OCCCN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001605942733 1097282920 /nfs/dbraw/zinc/28/29/20/1097282920.db2.gz HZPXBXBUXDMTIF-UHFFFAOYSA-N -1 3 348.410 2.952 20 30 EFEDHM Cc1ccccc1OCCCN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001605942733 1097282923 /nfs/dbraw/zinc/28/29/23/1097282923.db2.gz HZPXBXBUXDMTIF-UHFFFAOYSA-N -1 3 348.410 2.952 20 30 EFEDHM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001606040281 1097303835 /nfs/dbraw/zinc/30/38/35/1097303835.db2.gz OSWIVBSLJPHQKP-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001606040281 1097303840 /nfs/dbraw/zinc/30/38/40/1097303840.db2.gz OSWIVBSLJPHQKP-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1nc(NCc2cc(C#N)ccc2F)c(Cl)cc1-c1nnn[n-]1 ZINC001606076573 1097313283 /nfs/dbraw/zinc/31/32/83/1097313283.db2.gz LHKAOGQTMVIUMG-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1nc(NCc2cc(C#N)ccc2F)c(Cl)cc1-c1nn[n-]n1 ZINC001606076573 1097313287 /nfs/dbraw/zinc/31/32/87/1097313287.db2.gz LHKAOGQTMVIUMG-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1nnc(SCc2ccc(C#N)cc2F)c(-c2nnn[n-]2)c1C ZINC001606123920 1097323049 /nfs/dbraw/zinc/32/30/49/1097323049.db2.gz JNVZLMIUTWNSSO-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nnc(SCc2ccc(C#N)cc2F)c(-c2nn[n-]n2)c1C ZINC001606123920 1097323055 /nfs/dbraw/zinc/32/30/55/1097323055.db2.gz JNVZLMIUTWNSSO-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM CN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC001606150333 1097329370 /nfs/dbraw/zinc/32/93/70/1097329370.db2.gz NNIRQFUZTVWFPH-QGZVFWFLSA-N -1 3 328.343 2.561 20 30 EFEDHM Cn1ncc(C2CC2)c1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC001606276239 1097360134 /nfs/dbraw/zinc/36/01/34/1097360134.db2.gz JEYRTXVNBLRUJY-LCYFTJDESA-N -1 3 346.394 2.690 20 30 EFEDHM Cn1ncc(C2CC2)c1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC001606276239 1097360136 /nfs/dbraw/zinc/36/01/36/1097360136.db2.gz JEYRTXVNBLRUJY-LCYFTJDESA-N -1 3 346.394 2.690 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cn1 ZINC001606340311 1097388584 /nfs/dbraw/zinc/38/85/84/1097388584.db2.gz JKJFXNGWWGPCQO-ZWKOTPCHSA-N -1 3 345.410 2.533 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cn1 ZINC001606340311 1097388589 /nfs/dbraw/zinc/38/85/89/1097388589.db2.gz JKJFXNGWWGPCQO-ZWKOTPCHSA-N -1 3 345.410 2.533 20 30 EFEDHM N#CC1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)CC1 ZINC001606346345 1097390121 /nfs/dbraw/zinc/39/01/21/1097390121.db2.gz ZEQZLJUIANKXJJ-UHFFFAOYSA-N -1 3 340.284 2.765 20 30 EFEDHM N#CC1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)CC1 ZINC001606346345 1097390124 /nfs/dbraw/zinc/39/01/24/1097390124.db2.gz ZEQZLJUIANKXJJ-UHFFFAOYSA-N -1 3 340.284 2.765 20 30 EFEDHM N#CC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)CC1 ZINC001606346159 1097390343 /nfs/dbraw/zinc/39/03/43/1097390343.db2.gz XEIZTLPZPRKDFM-UHFFFAOYSA-N -1 3 337.387 2.512 20 30 EFEDHM N#CC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)CC1 ZINC001606346159 1097390349 /nfs/dbraw/zinc/39/03/49/1097390349.db2.gz XEIZTLPZPRKDFM-UHFFFAOYSA-N -1 3 337.387 2.512 20 30 EFEDHM N#CCCSc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001606349449 1097391148 /nfs/dbraw/zinc/39/11/48/1097391148.db2.gz NDAYQGVBJFOARG-UHFFFAOYSA-N -1 3 336.302 2.838 20 30 EFEDHM N#CCCSc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001606349449 1097391152 /nfs/dbraw/zinc/39/11/52/1097391152.db2.gz NDAYQGVBJFOARG-UHFFFAOYSA-N -1 3 336.302 2.838 20 30 EFEDHM N#CCc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001606351168 1097391549 /nfs/dbraw/zinc/39/15/49/1097391549.db2.gz FJMDVKKDZIRWOS-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001606351168 1097391556 /nfs/dbraw/zinc/39/15/56/1097391556.db2.gz FJMDVKKDZIRWOS-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001606346668 1097391752 /nfs/dbraw/zinc/39/17/52/1097391752.db2.gz XCYCRGDRBZSXGU-JTQLQIEISA-N -1 3 347.220 2.759 20 30 EFEDHM N#CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001606346668 1097391758 /nfs/dbraw/zinc/39/17/58/1097391758.db2.gz XCYCRGDRBZSXGU-JTQLQIEISA-N -1 3 347.220 2.759 20 30 EFEDHM N#Cc1cc(NC(=O)c2nccc3ccsc32)ccc1-c1nnn[n-]1 ZINC001606361517 1097392294 /nfs/dbraw/zinc/39/22/94/1097392294.db2.gz SJXJMBZTLFDVGJ-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2nccc3ccsc32)ccc1-c1nn[n-]n1 ZINC001606361517 1097392299 /nfs/dbraw/zinc/39/22/99/1097392299.db2.gz SJXJMBZTLFDVGJ-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001606354949 1097392916 /nfs/dbraw/zinc/39/29/16/1097392916.db2.gz YOCWOTKFZAUZLO-BXUZGUMPSA-N -1 3 346.350 2.757 20 30 EFEDHM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001606354949 1097392922 /nfs/dbraw/zinc/39/29/22/1097392922.db2.gz YOCWOTKFZAUZLO-BXUZGUMPSA-N -1 3 346.350 2.757 20 30 EFEDHM N#C[C@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001606354587 1097393114 /nfs/dbraw/zinc/39/31/14/1097393114.db2.gz METMADOUHLUNFQ-MLGOLLRUSA-N -1 3 346.350 2.757 20 30 EFEDHM N#C[C@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001606354587 1097393123 /nfs/dbraw/zinc/39/31/23/1097393123.db2.gz METMADOUHLUNFQ-MLGOLLRUSA-N -1 3 346.350 2.757 20 30 EFEDHM N#Cc1c(F)cccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001606356322 1097393193 /nfs/dbraw/zinc/39/31/93/1097393193.db2.gz ONDCCTQJWAJBIU-FNORWQNLSA-N -1 3 337.289 2.913 20 30 EFEDHM N#Cc1c(F)cccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001606356322 1097393198 /nfs/dbraw/zinc/39/31/98/1097393198.db2.gz ONDCCTQJWAJBIU-FNORWQNLSA-N -1 3 337.289 2.913 20 30 EFEDHM N#Cc1ccc(CCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC001606368290 1097394322 /nfs/dbraw/zinc/39/43/22/1097394322.db2.gz VMSLGYRBMGDMHN-UHFFFAOYSA-N -1 3 343.350 2.574 20 30 EFEDHM N#Cc1ccc(CCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC001606368290 1097394326 /nfs/dbraw/zinc/39/43/26/1097394326.db2.gz VMSLGYRBMGDMHN-UHFFFAOYSA-N -1 3 343.350 2.574 20 30 EFEDHM N#Cc1ccc(C(=O)N(c2ccccc2-c2nnn[n-]2)C2CCC2)o1 ZINC001606363845 1097394345 /nfs/dbraw/zinc/39/43/45/1097394345.db2.gz QZJOMQSJKHNZGA-UHFFFAOYSA-N -1 3 334.339 2.531 20 30 EFEDHM N#Cc1ccc(C(=O)N(c2ccccc2-c2nn[n-]n2)C2CCC2)o1 ZINC001606363845 1097394348 /nfs/dbraw/zinc/39/43/48/1097394348.db2.gz QZJOMQSJKHNZGA-UHFFFAOYSA-N -1 3 334.339 2.531 20 30 EFEDHM N#Cc1ccc(Oc2cc(-c3nnn[n-]3)c(Br)cn2)cc1 ZINC001606379292 1097395298 /nfs/dbraw/zinc/39/52/98/1097395298.db2.gz NLIUSBIURJXKPS-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1ccc(Oc2cc(-c3nn[n-]n3)c(Br)cn2)cc1 ZINC001606379292 1097395302 /nfs/dbraw/zinc/39/53/02/1097395302.db2.gz NLIUSBIURJXKPS-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cn2)cc1C(F)(F)F ZINC001606377890 1097395943 /nfs/dbraw/zinc/39/59/43/1097395943.db2.gz WKMGQUPTEDYUJV-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cn2)cc1C(F)(F)F ZINC001606377890 1097395947 /nfs/dbraw/zinc/39/59/47/1097395947.db2.gz WKMGQUPTEDYUJV-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1cccc(CN2CCCc3c(-c4nnn[n-]4)cccc32)c1F ZINC001606379869 1097397193 /nfs/dbraw/zinc/39/71/93/1097397193.db2.gz GLNYCCIDVBJNDH-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1cccc(CN2CCCc3c(-c4nn[n-]n4)cccc32)c1F ZINC001606379869 1097397198 /nfs/dbraw/zinc/39/71/98/1097397198.db2.gz GLNYCCIDVBJNDH-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1cccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C2CCC2)c1 ZINC001606382138 1097397213 /nfs/dbraw/zinc/39/72/13/1097397213.db2.gz XJGBBULVOUMTDB-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1cccc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C2CCC2)c1 ZINC001606382138 1097397217 /nfs/dbraw/zinc/39/72/17/1097397217.db2.gz XJGBBULVOUMTDB-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001606380823 1097397288 /nfs/dbraw/zinc/39/72/88/1097397288.db2.gz FKZSEQVFXDAVRM-HOCLYGCPSA-N -1 3 338.415 2.524 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC001606380823 1097397291 /nfs/dbraw/zinc/39/72/91/1097397291.db2.gz FKZSEQVFXDAVRM-HOCLYGCPSA-N -1 3 338.415 2.524 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(c2ccc(O)cc2)CC1 ZINC001606381953 1097397309 /nfs/dbraw/zinc/39/73/09/1097397309.db2.gz WIIDCWVRUAVVOJ-UHFFFAOYSA-N -1 3 346.394 2.828 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(c2ccc(O)cc2)CC1 ZINC001606381953 1097397314 /nfs/dbraw/zinc/39/73/14/1097397314.db2.gz WIIDCWVRUAVVOJ-UHFFFAOYSA-N -1 3 346.394 2.828 20 30 EFEDHM N#Cc1ncccc1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001606398658 1097398450 /nfs/dbraw/zinc/39/84/50/1097398450.db2.gz PNESRJAIPSUHQN-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1ncccc1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001606398658 1097398455 /nfs/dbraw/zinc/39/84/55/1097398455.db2.gz PNESRJAIPSUHQN-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1cnccc1SCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001606389581 1097398709 /nfs/dbraw/zinc/39/87/09/1097398709.db2.gz RQWSXNAVCKCVFS-UHFFFAOYSA-N -1 3 333.380 2.678 20 30 EFEDHM N#Cc1cnccc1SCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001606389581 1097398715 /nfs/dbraw/zinc/39/87/15/1097398715.db2.gz RQWSXNAVCKCVFS-UHFFFAOYSA-N -1 3 333.380 2.678 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482578 1097405362 /nfs/dbraw/zinc/40/53/62/1097405362.db2.gz PRYLTBDXSGDHFA-FPYGCLRLSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482578 1097405364 /nfs/dbraw/zinc/40/53/64/1097405364.db2.gz PRYLTBDXSGDHFA-FPYGCLRLSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C(C=Cc1ccnn1CC1CCC1)c1ccccc1-c1nnn[n-]1 ZINC001606487772 1097407052 /nfs/dbraw/zinc/40/70/52/1097407052.db2.gz WWPDQGQHQXORSN-HJWRWDBZSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1ccnn1CC1CCC1)c1ccccc1-c1nn[n-]n1 ZINC001606487772 1097407059 /nfs/dbraw/zinc/40/70/59/1097407059.db2.gz WWPDQGQHQXORSN-HJWRWDBZSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1ccnn1CC1CCC1)c1ccccc1-c1nnn[n-]1 ZINC001606487771 1097407455 /nfs/dbraw/zinc/40/74/55/1097407455.db2.gz WWPDQGQHQXORSN-CMDGGOBGSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1ccnn1CC1CCC1)c1ccccc1-c1nn[n-]n1 ZINC001606487771 1097407457 /nfs/dbraw/zinc/40/74/57/1097407457.db2.gz WWPDQGQHQXORSN-CMDGGOBGSA-N -1 3 334.383 2.759 20 30 EFEDHM COC(=O)c1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC001606543267 1097417304 /nfs/dbraw/zinc/41/73/04/1097417304.db2.gz WPTPCYRWCZFABM-LBPRGKRZSA-N -1 3 338.363 2.894 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1ccc([N+](=O)[O-])cc1 ZINC001607037351 1097502043 /nfs/dbraw/zinc/50/20/43/1097502043.db2.gz YIICSASGCIENCP-QPEQYQDCSA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1ccc([N+](=O)[O-])cc1 ZINC001607037351 1097502044 /nfs/dbraw/zinc/50/20/44/1097502044.db2.gz YIICSASGCIENCP-QPEQYQDCSA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1CC(=Cc2ccc(F)c(-c3nnn[n-]3)c2)C(=O)c2ccccc2N1 ZINC001607038623 1097502146 /nfs/dbraw/zinc/50/21/46/1097502146.db2.gz XUIRZQJNHGBKOL-XFFZJAGNSA-N -1 3 349.325 2.614 20 30 EFEDHM O=C1CC(=Cc2ccc(F)c(-c3nn[n-]n3)c2)C(=O)c2ccccc2N1 ZINC001607038623 1097502150 /nfs/dbraw/zinc/50/21/50/1097502150.db2.gz XUIRZQJNHGBKOL-XFFZJAGNSA-N -1 3 349.325 2.614 20 30 EFEDHM c1ccc(CCCNN=C2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC001607128465 1097530797 /nfs/dbraw/zinc/53/07/97/1097530797.db2.gz OIAVMRAOTLMBCF-UHFFFAOYSA-N -1 3 332.411 2.739 20 30 EFEDHM c1ccc(CCCNN=C2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC001607128465 1097530802 /nfs/dbraw/zinc/53/08/02/1097530802.db2.gz OIAVMRAOTLMBCF-UHFFFAOYSA-N -1 3 332.411 2.739 20 30 EFEDHM N#CC1(C(=O)[O-])CCN(CCc2cccc(OC(F)(F)F)c2)CC1 ZINC001608174019 1097852108 /nfs/dbraw/zinc/85/21/08/1097852108.db2.gz FYEUYWYECYQCDN-UHFFFAOYSA-N -1 3 342.317 2.818 20 30 EFEDHM N#CCOc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC001608188643 1097855501 /nfs/dbraw/zinc/85/55/01/1097855501.db2.gz JTPYKVOMRYBVER-OLZOCXBDSA-N -1 3 342.317 2.674 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001608214724 1097866646 /nfs/dbraw/zinc/86/66/46/1097866646.db2.gz SPPLSSUOPCJOEA-CVEARBPZSA-N -1 3 336.395 2.955 20 30 EFEDHM N#Cc1cccnc1NCCNCc1cc(C(=O)[O-])ccc1Cl ZINC001608221198 1097869327 /nfs/dbraw/zinc/86/93/27/1097869327.db2.gz DGZSZZLAUYADOY-UHFFFAOYSA-N -1 3 330.775 2.507 20 30 EFEDHM O=C([O-])C[C@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001608696573 1097993084 /nfs/dbraw/zinc/99/30/84/1097993084.db2.gz IPKHGGLXTIZVOB-CYBMUJFWSA-N -1 3 327.302 2.876 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001609021123 1098112771 /nfs/dbraw/zinc/11/27/71/1098112771.db2.gz FIXMYHIJMRWKIE-UHFFFAOYSA-N -1 3 339.349 2.780 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001609021123 1098112774 /nfs/dbraw/zinc/11/27/74/1098112774.db2.gz FIXMYHIJMRWKIE-UHFFFAOYSA-N -1 3 339.349 2.780 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1cccc(F)c1-c1nnn[n-]1 ZINC001609051850 1098121476 /nfs/dbraw/zinc/12/14/76/1098121476.db2.gz XYELDQCVDQAOOR-UHFFFAOYSA-N -1 3 343.362 2.674 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1cccc(F)c1-c1nn[n-]n1 ZINC001609051850 1098121479 /nfs/dbraw/zinc/12/14/79/1098121479.db2.gz XYELDQCVDQAOOR-UHFFFAOYSA-N -1 3 343.362 2.674 20 30 EFEDHM C=CC(C)(C)CNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001609052119 1098121990 /nfs/dbraw/zinc/12/19/90/1098121990.db2.gz MXHAAGJXSXMYBM-OAHLLOKOSA-N -1 3 343.431 2.599 20 30 EFEDHM C=CC(C)(C)CNC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001609052119 1098121994 /nfs/dbraw/zinc/12/19/94/1098121994.db2.gz MXHAAGJXSXMYBM-OAHLLOKOSA-N -1 3 343.431 2.599 20 30 EFEDHM C=CC[C@H](C)NC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052708 1098122757 /nfs/dbraw/zinc/12/27/57/1098122757.db2.gz NOESDDBBXCIVGW-NHYWBVRUSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CC[C@H](C)NC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052708 1098122763 /nfs/dbraw/zinc/12/27/63/1098122763.db2.gz NOESDDBBXCIVGW-NHYWBVRUSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CCC(C)(C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC001609052491 1098123181 /nfs/dbraw/zinc/12/31/81/1098123181.db2.gz DZRRWWADOICCPP-UHFFFAOYSA-N -1 3 339.403 2.777 20 30 EFEDHM C=CCC(C)(C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC001609052491 1098123182 /nfs/dbraw/zinc/12/31/82/1098123182.db2.gz DZRRWWADOICCPP-UHFFFAOYSA-N -1 3 339.403 2.777 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1ccco1 ZINC001609056298 1098124749 /nfs/dbraw/zinc/12/47/49/1098124749.db2.gz CDZPKFXZGBOYBE-UHFFFAOYSA-N -1 3 337.383 2.607 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1ccco1 ZINC001609056298 1098124752 /nfs/dbraw/zinc/12/47/52/1098124752.db2.gz CDZPKFXZGBOYBE-UHFFFAOYSA-N -1 3 337.383 2.607 20 30 EFEDHM C=CCN(CC(=C)Br)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609055967 1098124821 /nfs/dbraw/zinc/12/48/21/1098124821.db2.gz IIAJENFJGHWFPO-UHFFFAOYSA-N -1 3 334.221 2.763 20 30 EFEDHM C=CCN(CC(=C)Br)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609055967 1098124824 /nfs/dbraw/zinc/12/48/24/1098124824.db2.gz IIAJENFJGHWFPO-UHFFFAOYSA-N -1 3 334.221 2.763 20 30 EFEDHM C=CCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609055385 1098124879 /nfs/dbraw/zinc/12/48/79/1098124879.db2.gz YMWCLTIXTLRABP-UHFFFAOYSA-N -1 3 325.332 2.701 20 30 EFEDHM C=CCCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609055385 1098124884 /nfs/dbraw/zinc/12/48/84/1098124884.db2.gz YMWCLTIXTLRABP-UHFFFAOYSA-N -1 3 325.332 2.701 20 30 EFEDHM CC(=NNCc1ccc(F)cc1F)c1ccccc1-c1nnn[n-]1 ZINC001609061191 1098125615 /nfs/dbraw/zinc/12/56/15/1098125615.db2.gz KGKICELJWRCSDQ-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1ccc(F)cc1F)c1ccccc1-c1nn[n-]n1 ZINC001609061191 1098125618 /nfs/dbraw/zinc/12/56/18/1098125618.db2.gz KGKICELJWRCSDQ-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM C=CCNN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001609058624 1098125816 /nfs/dbraw/zinc/12/58/16/1098125816.db2.gz KLPCTLJQVMXGMQ-UHFFFAOYSA-N -1 3 334.383 2.555 20 30 EFEDHM C=CCNN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001609058624 1098125822 /nfs/dbraw/zinc/12/58/22/1098125822.db2.gz KLPCTLJQVMXGMQ-UHFFFAOYSA-N -1 3 334.383 2.555 20 30 EFEDHM CC(=NNCc1cc(F)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001609060754 1098125913 /nfs/dbraw/zinc/12/59/13/1098125913.db2.gz ACFDRFBJBFNEHY-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1cc(F)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001609060754 1098125921 /nfs/dbraw/zinc/12/59/21/1098125921.db2.gz ACFDRFBJBFNEHY-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cccn2)cc1 ZINC001609061178 1098126524 /nfs/dbraw/zinc/12/65/24/1098126524.db2.gz JQEQDIXEKVRQHR-UHFFFAOYSA-N -1 3 344.382 2.889 20 30 EFEDHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609074797 1098132183 /nfs/dbraw/zinc/13/21/83/1098132183.db2.gz ALASOBAPMNKGBN-CJNGLKHVSA-N -1 3 340.431 2.992 20 30 EFEDHM CC(C)(C)[C@H]1OCCC[C@@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609074797 1098132185 /nfs/dbraw/zinc/13/21/85/1098132185.db2.gz ALASOBAPMNKGBN-CJNGLKHVSA-N -1 3 340.431 2.992 20 30 EFEDHM CC(C)CCN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609094718 1098143041 /nfs/dbraw/zinc/14/30/41/1098143041.db2.gz TYOFNZDVVDSTED-UHFFFAOYSA-N -1 3 343.391 2.537 20 30 EFEDHM CC(C)CCN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609094718 1098143046 /nfs/dbraw/zinc/14/30/46/1098143046.db2.gz TYOFNZDVVDSTED-UHFFFAOYSA-N -1 3 343.391 2.537 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NO[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609116309 1098153470 /nfs/dbraw/zinc/15/34/70/1098153470.db2.gz HATDMLWGJRRDJU-CQSZACIVSA-N -1 3 339.403 2.834 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NO[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609116309 1098153474 /nfs/dbraw/zinc/15/34/74/1098153474.db2.gz HATDMLWGJRRDJU-CQSZACIVSA-N -1 3 339.403 2.834 20 30 EFEDHM C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001609126015 1098158169 /nfs/dbraw/zinc/15/81/69/1098158169.db2.gz AIPWFJMSWZMWSZ-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001609126015 1098158172 /nfs/dbraw/zinc/15/81/72/1098158172.db2.gz AIPWFJMSWZMWSZ-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001609131989 1098161916 /nfs/dbraw/zinc/16/19/16/1098161916.db2.gz DRGDTVMJBIPDKW-LBPRGKRZSA-N -1 3 333.351 2.851 20 30 EFEDHM C[C@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001609131989 1098161919 /nfs/dbraw/zinc/16/19/19/1098161919.db2.gz DRGDTVMJBIPDKW-LBPRGKRZSA-N -1 3 333.351 2.851 20 30 EFEDHM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1ccc([O-])cc1)CC2 ZINC001269483237 1098175814 /nfs/dbraw/zinc/17/58/14/1098175814.db2.gz PYEGEKVDWANYLA-UHFFFAOYSA-N -1 3 342.439 2.813 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1OCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609165229 1098178973 /nfs/dbraw/zinc/17/89/73/1098178973.db2.gz HKLFSKUATSXFPN-DOMZBBRYSA-N -1 3 326.404 2.746 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1OCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609165229 1098178979 /nfs/dbraw/zinc/17/89/79/1098178979.db2.gz HKLFSKUATSXFPN-DOMZBBRYSA-N -1 3 326.404 2.746 20 30 EFEDHM CCC(N=Nc1ccc(Cl)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609180500 1098183922 /nfs/dbraw/zinc/18/39/22/1098183922.db2.gz CHHRBOSMDDTMIC-UHFFFAOYSA-N -1 3 328.767 2.536 20 30 EFEDHM CCC(N=Nc1ccc(Cl)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609180500 1098183926 /nfs/dbraw/zinc/18/39/26/1098183926.db2.gz CHHRBOSMDDTMIC-UHFFFAOYSA-N -1 3 328.767 2.536 20 30 EFEDHM CCC1(CC)[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C[C@@H]1OC ZINC001609197239 1098195324 /nfs/dbraw/zinc/19/53/24/1098195324.db2.gz USKOTDIXGPKMGO-KGLIPLIRSA-N -1 3 326.404 2.744 20 30 EFEDHM CCC1(CC)[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C[C@@H]1OC ZINC001609197239 1098195328 /nfs/dbraw/zinc/19/53/28/1098195328.db2.gz USKOTDIXGPKMGO-KGLIPLIRSA-N -1 3 326.404 2.744 20 30 EFEDHM CCCOc1ncccc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609216393 1098207631 /nfs/dbraw/zinc/20/76/31/1098207631.db2.gz GGFPLVQLLKAXKI-UHFFFAOYSA-N -1 3 335.371 2.534 20 30 EFEDHM CCCOc1ncccc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609216393 1098207637 /nfs/dbraw/zinc/20/76/37/1098207637.db2.gz GGFPLVQLLKAXKI-UHFFFAOYSA-N -1 3 335.371 2.534 20 30 EFEDHM CCN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001609221129 1098210494 /nfs/dbraw/zinc/21/04/94/1098210494.db2.gz HUPCKWKRPZLJMD-WMZJFQQLSA-N -1 3 334.383 2.614 20 30 EFEDHM CCN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001609221129 1098210498 /nfs/dbraw/zinc/21/04/98/1098210498.db2.gz HUPCKWKRPZLJMD-WMZJFQQLSA-N -1 3 334.383 2.614 20 30 EFEDHM CN(C(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001609262793 1098231499 /nfs/dbraw/zinc/23/14/99/1098231499.db2.gz TYPCGQCLVBIHGO-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001609262793 1098231504 /nfs/dbraw/zinc/23/15/04/1098231504.db2.gz TYPCGQCLVBIHGO-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM COc1cc(C=C2COc3ccccc3C2=O)ccc1-c1nnn[n-]1 ZINC001609340676 1098255116 /nfs/dbraw/zinc/25/51/16/1098255116.db2.gz QYCOKNXAKLKJMG-XYOKQWHBSA-N -1 3 334.335 2.534 20 30 EFEDHM COc1cc(C=C2COc3ccccc3C2=O)ccc1-c1nn[n-]n1 ZINC001609340676 1098255121 /nfs/dbraw/zinc/25/51/21/1098255121.db2.gz QYCOKNXAKLKJMG-XYOKQWHBSA-N -1 3 334.335 2.534 20 30 EFEDHM COc1ccc(C=C2CCc3ccc(O)cc3C2=O)cc1-c1nnn[n-]1 ZINC001609353687 1098261478 /nfs/dbraw/zinc/26/14/78/1098261478.db2.gz NWDLFNSQGOMCKX-MDWZMJQESA-N -1 3 348.362 2.793 20 30 EFEDHM COc1ccc(C=C2CCc3ccc(O)cc3C2=O)cc1-c1nn[n-]n1 ZINC001609353687 1098261483 /nfs/dbraw/zinc/26/14/83/1098261483.db2.gz NWDLFNSQGOMCKX-MDWZMJQESA-N -1 3 348.362 2.793 20 30 EFEDHM Cc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001609399719 1098290170 /nfs/dbraw/zinc/29/01/70/1098290170.db2.gz MBVFCXHLHVQFKC-SOFGYWHQSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1cc(C=CC(=O)c2cccc([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001609399719 1098290177 /nfs/dbraw/zinc/29/01/77/1098290177.db2.gz MBVFCXHLHVQFKC-SOFGYWHQSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1cc(CSc2nnc(C)c(C)c2C#N)ccc1-c1nnn[n-]1 ZINC001609403150 1098293659 /nfs/dbraw/zinc/29/36/59/1098293659.db2.gz QSUVNHUAWQJHFT-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(CSc2nnc(C)c(C)c2C#N)ccc1-c1nn[n-]n1 ZINC001609403150 1098293664 /nfs/dbraw/zinc/29/36/64/1098293664.db2.gz QSUVNHUAWQJHFT-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(N[C@H]2CC[C@@H](CC#N)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609410377 1098298929 /nfs/dbraw/zinc/29/89/29/1098298929.db2.gz SPHHEBNSNQNXIP-QWRGUYRKSA-N -1 3 327.348 2.578 20 30 EFEDHM Cc1cc(N[C@H]2CC[C@@H](CC#N)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609410377 1098298935 /nfs/dbraw/zinc/29/89/35/1098298935.db2.gz SPHHEBNSNQNXIP-QWRGUYRKSA-N -1 3 327.348 2.578 20 30 EFEDHM Cc1cc(CSc2nc(C)nc(C)c2-c2nnn[n-]2)ccc1C#N ZINC001609449141 1098328556 /nfs/dbraw/zinc/32/85/56/1098328556.db2.gz PEHUJGQBZASJKD-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(CSc2nc(C)nc(C)c2-c2nn[n-]n2)ccc1C#N ZINC001609449141 1098328563 /nfs/dbraw/zinc/32/85/63/1098328563.db2.gz PEHUJGQBZASJKD-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1nc(NCc2ccc(C#N)cc2F)c(Cl)cc1-c1nnn[n-]1 ZINC001609453762 1098333081 /nfs/dbraw/zinc/33/30/81/1098333081.db2.gz SRJRXRVDWJKILA-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1nc(NCc2ccc(C#N)cc2F)c(Cl)cc1-c1nn[n-]n1 ZINC001609453762 1098333088 /nfs/dbraw/zinc/33/30/88/1098333088.db2.gz SRJRXRVDWJKILA-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Clc1cc(N=NC2CCC23CCOCC3)ccc1-c1nnn[n-]1 ZINC001609472788 1098345598 /nfs/dbraw/zinc/34/55/98/1098345598.db2.gz OOVKWOZMOPCDPJ-UHFFFAOYSA-N -1 3 332.795 2.879 20 30 EFEDHM Clc1cc(N=NC2CCC23CCOCC3)ccc1-c1nn[n-]n1 ZINC001609472788 1098345602 /nfs/dbraw/zinc/34/56/02/1098345602.db2.gz OOVKWOZMOPCDPJ-UHFFFAOYSA-N -1 3 332.795 2.879 20 30 EFEDHM Clc1cccnc1N=NCCCc1ccc(-c2nnn[n-]2)cc1 ZINC001609474359 1098347565 /nfs/dbraw/zinc/34/75/65/1098347565.db2.gz VZKAFPCKVMLYOT-UHFFFAOYSA-N -1 3 327.779 2.946 20 30 EFEDHM Clc1cccnc1N=NCCCc1ccc(-c2nn[n-]n2)cc1 ZINC001609474359 1098347571 /nfs/dbraw/zinc/34/75/71/1098347571.db2.gz VZKAFPCKVMLYOT-UHFFFAOYSA-N -1 3 327.779 2.946 20 30 EFEDHM N#CC1(CCOC(=O)c2cscc2-c2nnn[n-]2)CCCCC1 ZINC001609493586 1098359645 /nfs/dbraw/zinc/35/96/45/1098359645.db2.gz LVNXMESLUBOMAI-UHFFFAOYSA-N -1 3 331.401 2.949 20 30 EFEDHM N#CC1(CCOC(=O)c2cscc2-c2nn[n-]n2)CCCCC1 ZINC001609493586 1098359649 /nfs/dbraw/zinc/35/96/49/1098359649.db2.gz LVNXMESLUBOMAI-UHFFFAOYSA-N -1 3 331.401 2.949 20 30 EFEDHM N#CCC1(CNc2cccc(Br)c2-c2nnn[n-]2)CC1 ZINC001609494330 1098359678 /nfs/dbraw/zinc/35/96/78/1098359678.db2.gz BOCMXQKAGVFVTD-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CCC1(CNc2cccc(Br)c2-c2nn[n-]n2)CC1 ZINC001609494330 1098359685 /nfs/dbraw/zinc/35/96/85/1098359685.db2.gz BOCMXQKAGVFVTD-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001609494881 1098359762 /nfs/dbraw/zinc/35/97/62/1098359762.db2.gz PALFRKMAYXTJQB-UHFFFAOYSA-N -1 3 335.371 2.827 20 30 EFEDHM N#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001609494881 1098359768 /nfs/dbraw/zinc/35/97/68/1098359768.db2.gz PALFRKMAYXTJQB-UHFFFAOYSA-N -1 3 335.371 2.827 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC001609498439 1098362247 /nfs/dbraw/zinc/36/22/47/1098362247.db2.gz DRGJYCLNLUCNIA-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC001609498439 1098362256 /nfs/dbraw/zinc/36/22/56/1098362256.db2.gz DRGJYCLNLUCNIA-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC001269682824 1098362324 /nfs/dbraw/zinc/36/23/24/1098362324.db2.gz RGHZLPDFEOYOPA-FQEVSTJZSA-N -1 3 342.439 2.813 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001609498425 1098362775 /nfs/dbraw/zinc/36/27/75/1098362775.db2.gz DEOBYKSBJJXEDP-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001609498425 1098362782 /nfs/dbraw/zinc/36/27/82/1098362782.db2.gz DEOBYKSBJJXEDP-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](Cc2ccccc2)C1 ZINC001609499460 1098363516 /nfs/dbraw/zinc/36/35/16/1098363516.db2.gz QZZGWOQALQBXQO-HNNXBMFYSA-N -1 3 330.395 2.807 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](Cc2ccccc2)C1 ZINC001609499460 1098363524 /nfs/dbraw/zinc/36/35/24/1098363524.db2.gz QZZGWOQALQBXQO-HNNXBMFYSA-N -1 3 330.395 2.807 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC001609499473 1098363763 /nfs/dbraw/zinc/36/37/63/1098363763.db2.gz RVHUABXBKZXKMU-AUWJEWJLSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC001609499473 1098363770 /nfs/dbraw/zinc/36/37/70/1098363770.db2.gz RVHUABXBKZXKMU-AUWJEWJLSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc(Br)nc1 ZINC001609499881 1098364682 /nfs/dbraw/zinc/36/46/82/1098364682.db2.gz NOQZIGHLZLBILR-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc(Br)nc1 ZINC001609499881 1098364689 /nfs/dbraw/zinc/36/46/89/1098364689.db2.gz NOQZIGHLZLBILR-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccnn1-c1ccccc1 ZINC001609517766 1098365996 /nfs/dbraw/zinc/36/59/96/1098365996.db2.gz MODQCDZMZQMWKV-MDZDMXLPSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccnn1-c1ccccc1 ZINC001609517766 1098366003 /nfs/dbraw/zinc/36/60/03/1098366003.db2.gz MODQCDZMZQMWKV-MDZDMXLPSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609517638 1098366141 /nfs/dbraw/zinc/36/61/41/1098366141.db2.gz HDUQZSKIEITJIN-HJWRWDBZSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609517638 1098366148 /nfs/dbraw/zinc/36/61/48/1098366148.db2.gz HDUQZSKIEITJIN-HJWRWDBZSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(CC#Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609519582 1098367265 /nfs/dbraw/zinc/36/72/65/1098367265.db2.gz AWLQICYNHUOELF-UHFFFAOYSA-N -1 3 337.770 2.900 20 30 EFEDHM O=C(CC#Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609519582 1098367270 /nfs/dbraw/zinc/36/72/70/1098367270.db2.gz AWLQICYNHUOELF-UHFFFAOYSA-N -1 3 337.770 2.900 20 30 EFEDHM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccccc1-c1nnn[n-]1 ZINC001609519855 1098368324 /nfs/dbraw/zinc/36/83/24/1098368324.db2.gz QLOJAPOAZSHKHC-ZHACJKMWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccccc1-c1nn[n-]n1 ZINC001609519855 1098368330 /nfs/dbraw/zinc/36/83/30/1098368330.db2.gz QLOJAPOAZSHKHC-ZHACJKMWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C1C(=Cc2cc(F)ccc2F)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001609585857 1098392532 /nfs/dbraw/zinc/39/25/32/1098392532.db2.gz IFBAKVJFSHAXAA-UXBLZVDNSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2cc(F)ccc2F)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001609585857 1098392534 /nfs/dbraw/zinc/39/25/34/1098392534.db2.gz IFBAKVJFSHAXAA-UXBLZVDNSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2cccnc2Cl)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001609586055 1098392729 /nfs/dbraw/zinc/39/27/29/1098392729.db2.gz QLIIZJNGJLDEBC-JXMROGBWSA-N -1 3 338.758 2.523 20 30 EFEDHM O=C1C(=Cc2cccnc2Cl)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001609586055 1098392731 /nfs/dbraw/zinc/39/27/31/1098392731.db2.gz QLIIZJNGJLDEBC-JXMROGBWSA-N -1 3 338.758 2.523 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=C1COc2ccc(F)cc21 ZINC001609585889 1098392819 /nfs/dbraw/zinc/39/28/19/1098392819.db2.gz JCTCVLVPACQOME-PFONDFGASA-N -1 3 334.310 2.591 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=C1COc2ccc(F)cc21 ZINC001609585889 1098392825 /nfs/dbraw/zinc/39/28/25/1098392825.db2.gz JCTCVLVPACQOME-PFONDFGASA-N -1 3 334.310 2.591 20 30 EFEDHM O=[N+]([O-])c1cc(Cl)ccc1N=NCc1cccc(-c2nn[n-]n2)c1 ZINC001609600341 1098393820 /nfs/dbraw/zinc/39/38/20/1098393820.db2.gz DXRHIDYLLFOIRY-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC001269951600 1098542767 /nfs/dbraw/zinc/54/27/67/1098542767.db2.gz NRSJUYNFYFAPNI-INIZCTEOSA-N -1 3 342.439 2.635 20 30 EFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cc(=O)[n-]cn3)cc2)c1 ZINC001611407063 1099008981 /nfs/dbraw/zinc/00/89/81/1099008981.db2.gz WPWUISJQCRXDIO-UHFFFAOYSA-N -1 3 346.346 2.885 20 30 EFEDHM N#Cc1cnccc1[N-]C(=O)c1coc(-c2c(F)cccc2F)n1 ZINC001125886913 1099035216 /nfs/dbraw/zinc/03/52/16/1099035216.db2.gz MTYGLFRVWVIGQA-UHFFFAOYSA-N -1 3 326.262 2.561 20 30 EFEDHM C=CCO[N-]C(=O)CCC[S@](=O)c1ccc(Br)cc1 ZINC000837047122 1099440850 /nfs/dbraw/zinc/44/08/50/1099440850.db2.gz WWYTXBCKFBTQBE-IBGZPJMESA-N -1 3 346.246 2.571 20 30 EFEDHM CC(C)[C@H](CNC(=O)c1ccccc1[O-])Nc1ncc(C#N)cc1F ZINC001105134591 1099788627 /nfs/dbraw/zinc/78/86/27/1099788627.db2.gz ZWNGNZGCVWEUNB-HNNXBMFYSA-N -1 3 342.374 2.664 20 30 EFEDHM Cc1[nH]c(C#N)cc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC001641534965 1101145117 /nfs/dbraw/zinc/14/51/17/1101145117.db2.gz PFAKKIRQGKKSSW-UHFFFAOYSA-N -1 3 332.323 2.978 20 30 EFEDHM Cc1[nH]c(C#N)cc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001641534965 1101145123 /nfs/dbraw/zinc/14/51/23/1101145123.db2.gz PFAKKIRQGKKSSW-UHFFFAOYSA-N -1 3 332.323 2.978 20 30 EFEDHM N#Cc1cccc(-c2nc([N-]C(=O)c3cc4ncccc4o3)n[nH]2)c1 ZINC001641930113 1101176680 /nfs/dbraw/zinc/17/66/80/1101176680.db2.gz OOGJGBWQIJAKHV-UHFFFAOYSA-N -1 3 330.307 2.737 20 30 EFEDHM CC(C)N(CCN(C)c1ccc(C#N)cn1)C(=O)c1ccccc1[O-] ZINC001125444343 1101365198 /nfs/dbraw/zinc/36/51/98/1101365198.db2.gz FCURKXFDJOEBAO-UHFFFAOYSA-N -1 3 338.411 2.646 20 30 EFEDHM Cc1[nH]nc([N-]C(=O)c2cc(-c3c(F)cccc3F)no2)c1C#N ZINC001167084776 1101516603 /nfs/dbraw/zinc/51/66/03/1101516603.db2.gz GLKZSJZLGQSZIZ-UHFFFAOYSA-N -1 3 329.266 2.775 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cc([O-])c(C)c(F)c2)C1=O ZINC001271745018 1102580661 /nfs/dbraw/zinc/58/06/61/1102580661.db2.gz PNYDBFSABIKYCK-IBGZPJMESA-N -1 3 346.402 2.623 20 30 EFEDHM CCOC(Cc1c(Nc2ccc(F)cc2C#N)nc[n-]c1=O)OCC ZINC001210551567 1102674668 /nfs/dbraw/zinc/67/46/68/1102674668.db2.gz QOIRDIADFXPKMZ-UHFFFAOYSA-N -1 3 346.362 2.878 20 30 EFEDHM COc1ccc(NC(=S)NN=C(C)c2ccc([O-])c(F)c2)cn1 ZINC000729639945 1104645457 /nfs/dbraw/zinc/64/54/57/1104645457.db2.gz TZLDHGXVFOVULF-UHFFFAOYSA-N -1 3 334.376 2.646 20 30 EFEDHM COc1ccc(NC(=S)NN=C(C)c2cc(F)ccc2[O-])cn1 ZINC000729640920 1104648508 /nfs/dbraw/zinc/64/85/08/1104648508.db2.gz NVCJUMUAXDMHSH-UHFFFAOYSA-N -1 3 334.376 2.646 20 30 EFEDHM C=C1CCC(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])CC1 ZINC000897757144 1106073918 /nfs/dbraw/zinc/07/39/18/1106073918.db2.gz WTQBLMBTKJOMNT-CHWSQXEVSA-N -1 3 331.416 2.613 20 30 EFEDHM Cn1nccc1COCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181303 1107674347 /nfs/dbraw/zinc/67/43/47/1107674347.db2.gz SXNLVFQZDKWELO-UHFFFAOYSA-N -1 3 344.198 2.662 20 30 EFEDHM COC(=O)NCCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182500 1107675714 /nfs/dbraw/zinc/67/57/14/1107675714.db2.gz FYRXQODCISANKP-UHFFFAOYSA-N -1 3 335.187 2.847 20 30 EFEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)nnn1CC1CCCC1 ZINC000904172938 1107689126 /nfs/dbraw/zinc/68/91/26/1107689126.db2.gz 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C=CCN(Cc1cccs1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361705216 242230412 /nfs/dbraw/zinc/23/04/12/242230412.db2.gz JSDAAGBYEQWPFG-UHFFFAOYSA-N -1 3 345.350 2.783 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361705216 242230416 /nfs/dbraw/zinc/23/04/16/242230416.db2.gz JSDAAGBYEQWPFG-UHFFFAOYSA-N -1 3 345.350 2.783 20 30 EFEDHM C=C[C@@H](C)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000362688907 242261533 /nfs/dbraw/zinc/26/15/33/242261533.db2.gz CUIPNCCHILPULU-SNVBAGLBSA-N -1 3 343.424 2.599 20 30 EFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000362130158 242243977 /nfs/dbraw/zinc/24/39/77/242243977.db2.gz PTLIOKRNZVLTJM-AWEZNQCLSA-N -1 3 325.821 2.818 20 30 EFEDHM N#CC(=C([O-])c1ccc(C(N)=O)cc1)c1cc(C(F)(F)F)ccn1 ZINC000362189455 242248173 /nfs/dbraw/zinc/24/81/73/242248173.db2.gz OXIJOULCNPZKPD-LBPRGKRZSA-N -1 3 333.269 2.689 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)CC(F)(F)F ZINC000412647448 243366546 /nfs/dbraw/zinc/36/65/46/243366546.db2.gz DNNABYZHTNRQDM-SECBINFHSA-N -1 3 343.349 2.913 20 30 EFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000414436575 244156273 /nfs/dbraw/zinc/15/62/73/244156273.db2.gz AUVFIMMMBIGXSP-UHFFFAOYSA-N -1 3 326.466 2.684 20 30 EFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC)cc1Br ZINC000416940019 244924436 /nfs/dbraw/zinc/92/44/36/244924436.db2.gz OGURCKRUFIEWNK-SECBINFHSA-N -1 3 333.207 2.502 20 30 EFEDHM Cc1cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc(C)n1 ZINC000421554354 246014084 /nfs/dbraw/zinc/01/40/84/246014084.db2.gz GDCBSDRLMQAJPI-UHFFFAOYSA-N -1 3 338.411 2.537 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422037594 246232691 /nfs/dbraw/zinc/23/26/91/246232691.db2.gz KRFSBJUNJSWPBJ-OCCSQVGLSA-N -1 3 337.391 2.582 20 30 EFEDHM C=CCC[C@H](NC(=O)CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000427656947 247378883 /nfs/dbraw/zinc/37/88/83/247378883.db2.gz MOVBUKFUAJPGCQ-SFHVURJKSA-N -1 3 338.407 2.946 20 30 EFEDHM CC[C@@H](CSc1ccccc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428409502 247477556 /nfs/dbraw/zinc/47/75/56/247477556.db2.gz VZUJLUYHMLRNSO-ZDUSSCGKSA-N -1 3 347.465 2.802 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000435422313 248238980 /nfs/dbraw/zinc/23/89/80/248238980.db2.gz NNZINPYXSYRYBP-BXKDBHETSA-N -1 3 340.376 2.732 20 30 EFEDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)cs1 ZINC000435427276 248239319 /nfs/dbraw/zinc/23/93/19/248239319.db2.gz MELSZDPJCWKZRJ-MRVPVSSYSA-N -1 3 327.456 2.678 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)s1 ZINC000435424688 248239667 /nfs/dbraw/zinc/23/96/67/248239667.db2.gz WVQYWGVCMWGQRD-UHFFFAOYSA-N -1 3 345.405 2.753 20 30 EFEDHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435424857 248239720 /nfs/dbraw/zinc/23/97/20/248239720.db2.gz BLPQGQCTULYGRJ-NSHDSACASA-N -1 3 334.422 2.560 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)s1 ZINC000435432866 248239867 /nfs/dbraw/zinc/23/98/67/248239867.db2.gz LDUSQCAKJVYXGH-OAHLLOKOSA-N -1 3 332.450 2.919 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H](c1ccccc1)N(C)C ZINC000435429305 248240127 /nfs/dbraw/zinc/24/01/27/248240127.db2.gz VPVDPYNQWYAIQB-WBMJQRKESA-N -1 3 349.481 2.589 20 30 EFEDHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435429309 248240162 /nfs/dbraw/zinc/24/01/62/248240162.db2.gz VQHXBRJKEWKFRR-LBPRGKRZSA-N -1 3 336.438 2.674 20 30 EFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C2CC2)s1 ZINC000435434433 248240613 /nfs/dbraw/zinc/24/06/13/248240613.db2.gz YCYZSZPFJPUYPW-LBPRGKRZSA-N -1 3 339.467 2.814 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)s1 ZINC000435432864 248240743 /nfs/dbraw/zinc/24/07/43/248240743.db2.gz LDUSQCAKJVYXGH-HNNXBMFYSA-N -1 3 332.450 2.919 20 30 EFEDHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435429308 248240900 /nfs/dbraw/zinc/24/09/00/248240900.db2.gz VQHXBRJKEWKFRR-GFCCVEGCSA-N -1 3 336.438 2.674 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)s1 ZINC000435434157 248240987 /nfs/dbraw/zinc/24/09/87/248240987.db2.gz QXWXLKNXKPFHQH-NSHDSACASA-N -1 3 340.813 2.685 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1cccc(F)c1 ZINC000435439167 248241822 /nfs/dbraw/zinc/24/18/22/248241822.db2.gz SWRXZRVYIPBBMP-JTQLQIEISA-N -1 3 340.401 2.505 20 30 EFEDHM CCN(CCC[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435437924 248241948 /nfs/dbraw/zinc/24/19/48/248241948.db2.gz MDMRIGNKXIHKHK-UHFFFAOYSA-N -1 3 349.481 2.815 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1F ZINC000435447970 248242600 /nfs/dbraw/zinc/24/26/00/248242600.db2.gz SBFDMFYXTKINHE-QMMMGPOBSA-N -1 3 328.365 2.937 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)s1 ZINC000435444824 248243154 /nfs/dbraw/zinc/24/31/54/248243154.db2.gz BAMUNXBVVBLGIK-UHFFFAOYSA-N -1 3 344.820 2.933 20 30 EFEDHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435445946 248243310 /nfs/dbraw/zinc/24/33/10/248243310.db2.gz IBTLEADUPLVTHB-VIFPVBQESA-N -1 3 340.451 2.621 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1c(C)noc1C ZINC000435447522 248243472 /nfs/dbraw/zinc/24/34/72/248243472.db2.gz PWQMMDJGOLJCBI-NSHDSACASA-N -1 3 325.415 2.654 20 30 EFEDHM COc1ccc(-c2cc(C([O-])=C(C#N)c3ccccn3)n[nH]2)cc1OC ZINC000435470742 248245050 /nfs/dbraw/zinc/24/50/50/248245050.db2.gz PSKLFOZBXZEOKN-ZDUSSCGKSA-N -1 3 348.362 2.979 20 30 EFEDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000442790878 250118828 /nfs/dbraw/zinc/11/88/28/250118828.db2.gz MLLCXXIJASTFPC-NWDGAFQWSA-N -1 3 337.401 2.714 20 30 EFEDHM C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442651975 250096078 /nfs/dbraw/zinc/09/60/78/250096078.db2.gz QBPQNFGHUANQLV-HNAYVOBHSA-N -1 3 349.434 2.904 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000443215097 250173406 /nfs/dbraw/zinc/17/34/06/250173406.db2.gz WPQYXQVYAFAUMY-CQSZACIVSA-N -1 3 348.811 2.883 20 30 EFEDHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000443026187 250152171 /nfs/dbraw/zinc/15/21/71/250152171.db2.gz PNAPAAQSEZSYQI-CYBMUJFWSA-N -1 3 348.399 2.752 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000443055935 250155131 /nfs/dbraw/zinc/15/51/31/250155131.db2.gz ZXCVHPRLDFJYTB-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM CCCCOCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443087290 250160735 /nfs/dbraw/zinc/16/07/35/250160735.db2.gz PEBVFFNQIYZFOV-UHFFFAOYSA-N -1 3 330.837 2.697 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000443107695 250162675 /nfs/dbraw/zinc/16/26/75/250162675.db2.gz TWRGXWZCTBYTFW-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC(F)(F)F ZINC000443318328 250184408 /nfs/dbraw/zinc/18/44/08/250184408.db2.gz JIEXPWHFIBQBKP-UHFFFAOYSA-N -1 3 346.252 2.808 20 30 EFEDHM N#CC(=C([O-])c1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccncn1 ZINC000444455030 250302584 /nfs/dbraw/zinc/30/25/84/250302584.db2.gz RGOASTOYHZLEFR-OAHLLOKOSA-N -1 3 340.342 2.961 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1CCC(C)CC1 ZINC000009048450 211034616 /nfs/dbraw/zinc/03/46/16/211034616.db2.gz TVZSSRBTOYEITB-UHFFFAOYSA-N -1 3 329.444 2.833 20 30 EFEDHM C=CCC1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCCC1 ZINC000449805006 251161615 /nfs/dbraw/zinc/16/16/15/251161615.db2.gz UOAVQTSCHNHJNT-UHFFFAOYSA-N -1 3 342.439 2.813 20 30 EFEDHM C=CCC1(C(=O)NCCCNC(=O)c2cccc([O-])c2)CCCC1 ZINC000449838234 251173596 /nfs/dbraw/zinc/17/35/96/251173596.db2.gz ZYANRWJJBRADRU-UHFFFAOYSA-N -1 3 330.428 2.765 20 30 EFEDHM C=C(C)CN1CCC(N=c2[n-]c(-c3ccc(OC)cc3)no2)CC1 ZINC000450315094 251341193 /nfs/dbraw/zinc/34/11/93/251341193.db2.gz DIXSBMKZQHPDKL-UHFFFAOYSA-N -1 3 328.416 2.620 20 30 EFEDHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1 ZINC000451091239 251440343 /nfs/dbraw/zinc/44/03/43/251440343.db2.gz VXERSZCNJPYCGC-LLVKDONJSA-N -1 3 326.418 2.512 20 30 EFEDHM C=CCC[C@@H](CO)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000454340208 252225887 /nfs/dbraw/zinc/22/58/87/252225887.db2.gz NETSASJLNJPBRE-HNNXBMFYSA-N -1 3 342.399 2.606 20 30 EFEDHM COCC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1 ZINC000456850762 255663434 /nfs/dbraw/zinc/66/34/34/255663434.db2.gz BZQHZSSEBVPWSK-UHFFFAOYSA-N -1 3 345.443 2.531 20 30 EFEDHM CS[C@H]1CCC[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000117222240 221037753 /nfs/dbraw/zinc/03/77/53/221037753.db2.gz GJRKPVXPLMUXHZ-KGLIPLIRSA-N -1 3 347.484 2.586 20 30 EFEDHM C=CCN(Cc1ccc(Cl)s1)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000054417777 258014903 /nfs/dbraw/zinc/01/49/03/258014903.db2.gz LWJXKZJACRLBOI-UHFFFAOYSA-N -1 3 349.847 2.560 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000435594436 533542020 /nfs/dbraw/zinc/54/20/20/533542020.db2.gz RJYKIAMCCNSKSX-YGRLFVJLSA-N -1 3 333.812 2.739 20 30 EFEDHM CSCCCCCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000181829587 533546146 /nfs/dbraw/zinc/54/61/46/533546146.db2.gz ZXPLBYJJXQGCGE-UHFFFAOYSA-N -1 3 349.500 2.836 20 30 EFEDHM N#Cc1ccc(CN2CCCN(Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000263496217 141399062 /nfs/dbraw/zinc/39/90/62/141399062.db2.gz SYKFAECLSLGQNF-UHFFFAOYSA-N -1 3 349.434 2.964 20 30 EFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000344664321 142057748 /nfs/dbraw/zinc/05/77/48/142057748.db2.gz KAUVTCSEIXAVKR-ZDUSSCGKSA-N -1 3 333.351 2.545 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Cl)cn1 ZINC000344768581 142075412 /nfs/dbraw/zinc/07/54/12/142075412.db2.gz DWXQODYAXVAKAV-VIFPVBQESA-N -1 3 339.779 2.785 20 30 EFEDHM Cc1csc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1C#N ZINC000344903836 142095517 /nfs/dbraw/zinc/09/55/17/142095517.db2.gz UOIOXFIERPGJRB-UHFFFAOYSA-N -1 3 331.309 2.817 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000344921650 142098119 /nfs/dbraw/zinc/09/81/19/142098119.db2.gz BPZCQKPUMALLQT-UHFFFAOYSA-N -1 3 338.738 2.831 20 30 EFEDHM Cc1ccc([O-])c(NC(=O)CCCC(=O)Nc2ccccc2C#N)n1 ZINC000345928209 142119232 /nfs/dbraw/zinc/11/92/32/142119232.db2.gz DCOFBTVNZOQFOC-UHFFFAOYSA-N -1 3 338.367 2.715 20 30 EFEDHM COc1ccc([O-])c(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 ZINC000343913220 145323491 /nfs/dbraw/zinc/32/34/91/145323491.db2.gz FOKOSIWHODWVEG-UHFFFAOYSA-N -1 3 337.257 2.939 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCS1 ZINC000343977138 145337798 /nfs/dbraw/zinc/33/77/98/145337798.db2.gz HVALFNRBLRVDTF-LBPRGKRZSA-N -1 3 330.862 2.776 20 30 EFEDHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1(C)C ZINC000443339016 285925717 /nfs/dbraw/zinc/92/57/17/285925717.db2.gz YTSWPGJKUSMIKC-HIFRSBDPSA-N -1 3 342.848 2.694 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(Cl)c1 ZINC000352878417 146339287 /nfs/dbraw/zinc/33/92/87/146339287.db2.gz UREZEYCSSFPVBR-UHFFFAOYSA-N -1 3 347.783 2.507 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cccc(C#N)c3)n2)cc1 ZINC000355731633 147047810 /nfs/dbraw/zinc/04/78/10/147047810.db2.gz RWUMDVHEGPUZOD-UHFFFAOYSA-N -1 3 340.364 2.647 20 30 EFEDHM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cnn(C)c3C#N)s2)c1 ZINC000356122193 147152705 /nfs/dbraw/zinc/15/27/05/147152705.db2.gz XVAQQASKXKJZOT-UHFFFAOYSA-N -1 3 338.396 2.679 20 30 EFEDHM Cc1cccc([N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c1C#N ZINC000356319165 147210763 /nfs/dbraw/zinc/21/07/63/147210763.db2.gz JWHAIKFMPOJILP-UHFFFAOYSA-N -1 3 329.425 2.729 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)c1 ZINC000356494010 147260311 /nfs/dbraw/zinc/26/03/11/147260311.db2.gz ZTVOQWSHEVUVMI-UHFFFAOYSA-N -1 3 348.811 2.720 20 30 EFEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1nnc(C(F)(F)F)[n-]1 ZINC000359706456 148167567 /nfs/dbraw/zinc/16/75/67/148167567.db2.gz MMPGMMQAGIFKOE-UHFFFAOYSA-N -1 3 336.199 2.721 20 30 EFEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1n[n-]c(C(F)(F)F)n1 ZINC000359706456 148167569 /nfs/dbraw/zinc/16/75/69/148167569.db2.gz MMPGMMQAGIFKOE-UHFFFAOYSA-N -1 3 336.199 2.721 20 30 EFEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1nc(C(F)(F)F)n[n-]1 ZINC000359706456 148167570 /nfs/dbraw/zinc/16/75/70/148167570.db2.gz MMPGMMQAGIFKOE-UHFFFAOYSA-N -1 3 336.199 2.721 20 30 EFEDHM N#Cc1cccc(CS(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c1 ZINC000363949047 149036523 /nfs/dbraw/zinc/03/65/23/149036523.db2.gz LQKSJNLXIZTEAT-OAHLLOKOSA-N -1 3 348.811 2.765 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)s1 ZINC000369055566 150265477 /nfs/dbraw/zinc/26/54/77/150265477.db2.gz PBFGXFYXWIVJSD-GFCCVEGCSA-N -1 3 338.385 2.561 20 30 EFEDHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000452063829 286205731 /nfs/dbraw/zinc/20/57/31/286205731.db2.gz CKFMMXHYJSZFNB-ZIAGYGMSSA-N -1 3 342.848 2.838 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000269715376 269951836 /nfs/dbraw/zinc/95/18/36/269951836.db2.gz RYYJTNSORMWCLX-CYBMUJFWSA-N -1 3 340.832 2.592 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000443035464 269954388 /nfs/dbraw/zinc/95/43/88/269954388.db2.gz JYGMZAGIVCKAOM-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000489521313 270029806 /nfs/dbraw/zinc/02/98/06/270029806.db2.gz 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ZINC000194542156 266881002 /nfs/dbraw/zinc/88/10/02/266881002.db2.gz DEGAWAWPQPVJSK-UHFFFAOYSA-N -1 3 343.343 2.679 20 30 EFEDHM C[C@@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000331908956 267033708 /nfs/dbraw/zinc/03/37/08/267033708.db2.gz HASIYHLISRDTHG-HWPZZCPQSA-N -1 3 334.372 2.892 20 30 EFEDHM C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)CN1Cc1ccccc1 ZINC000188731513 267081449 /nfs/dbraw/zinc/08/14/49/267081449.db2.gz IKFKCRQPTWCYLM-RDTXWAMCSA-N -1 3 335.407 2.657 20 30 EFEDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C(C)C)cc1 ZINC000277019063 267099316 /nfs/dbraw/zinc/09/93/16/267099316.db2.gz MPFWAKKSDOQJBL-KRWDZBQOSA-N -1 3 345.424 2.637 20 30 EFEDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531367864 267181269 /nfs/dbraw/zinc/18/12/69/267181269.db2.gz DBBMTMGSPLUOGI-OLZOCXBDSA-N -1 3 328.434 2.650 20 30 EFEDHM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000528485194 267210937 /nfs/dbraw/zinc/21/09/37/267210937.db2.gz AAGODUHNLXWLBK-OAHLLOKOSA-N -1 3 329.425 2.643 20 30 EFEDHM CC(C)Oc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1C#N ZINC000277940452 267304737 /nfs/dbraw/zinc/30/47/37/267304737.db2.gz GJFMTOGNSVTQML-LLVKDONJSA-N -1 3 341.289 2.723 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2nc(C3CC3)cs2)cc1 ZINC000289268344 268082171 /nfs/dbraw/zinc/08/21/71/268082171.db2.gz VWYDQGADGPDNNM-UHFFFAOYSA-N -1 3 333.438 2.512 20 30 EFEDHM N#Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Br ZINC000287376960 268149055 /nfs/dbraw/zinc/14/90/55/268149055.db2.gz ZSPSPNBYJWQXLT-GFCCVEGCSA-N -1 3 340.177 2.900 20 30 EFEDHM N#Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Br ZINC000287376960 268149056 /nfs/dbraw/zinc/14/90/56/268149056.db2.gz ZSPSPNBYJWQXLT-GFCCVEGCSA-N -1 3 340.177 2.900 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000179669520 268162002 /nfs/dbraw/zinc/16/20/02/268162002.db2.gz GVCCVHZBXAJSBE-UHFFFAOYSA-N -1 3 349.343 2.590 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451823258 268182810 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N#Cc1ncccc1S(=O)(=O)[N-]CC1(c2ccccc2Cl)CC1 ZINC000428398200 268324958 /nfs/dbraw/zinc/32/49/58/268324958.db2.gz FEZLPVBDMOSASC-UHFFFAOYSA-N -1 3 347.827 2.617 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000280301264 268329858 /nfs/dbraw/zinc/32/98/58/268329858.db2.gz RMOZQYPBWGLFED-DZGCQCFKSA-N -1 3 345.399 2.707 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000280301271 268330563 /nfs/dbraw/zinc/33/05/63/268330563.db2.gz RMOZQYPBWGLFED-UKRRQHHQSA-N -1 3 345.399 2.707 20 30 EFEDHM CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnn(C)n3)sc2C1 ZINC000297810566 269630492 /nfs/dbraw/zinc/63/04/92/269630492.db2.gz PEZMTMBJFBOLKN-SNVBAGLBSA-N -1 3 329.429 2.761 20 30 EFEDHM CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1ccncc1C#N ZINC000344373637 276384794 /nfs/dbraw/zinc/38/47/94/276384794.db2.gz LBVRHZATSCUWIB-UHFFFAOYSA-N -1 3 333.351 2.790 20 30 EFEDHM CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000329264879 280287324 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Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000329817374 293196252 /nfs/dbraw/zinc/19/62/52/293196252.db2.gz FIBPWEKXWIIYKY-ZWNOBZJWSA-N -1 3 332.448 2.575 20 30 EFEDHM Cc1nc([N-]C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)nn1C ZINC000330660205 293307530 /nfs/dbraw/zinc/30/75/30/293307530.db2.gz BDYLSFRAIBCIBR-UHFFFAOYSA-N -1 3 330.314 2.730 20 30 EFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000156070101 293497836 /nfs/dbraw/zinc/49/78/36/293497836.db2.gz DWPOBMYBIIISTQ-UHFFFAOYSA-N -1 3 335.385 2.635 20 30 EFEDHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1(C)C ZINC000356355058 294876044 /nfs/dbraw/zinc/87/60/44/294876044.db2.gz BYCCEJFMOUBVLM-DZGCQCFKSA-N -1 3 342.848 2.694 20 30 EFEDHM Cc1ccnc(C)c1NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000329255382 302267903 /nfs/dbraw/zinc/26/79/03/302267903.db2.gz XFMZKWLZUOESBJ-SJCJKPOMSA-N -1 3 345.403 2.741 20 30 EFEDHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151095592 310679093 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Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H](C)c2ccncc2)no1 ZINC000547216606 317991784 /nfs/dbraw/zinc/99/17/84/317991784.db2.gz BHXHLFUUXOPOOV-NSHDSACASA-N -1 3 349.394 2.991 20 30 EFEDHM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1(C)C ZINC000547331355 317997161 /nfs/dbraw/zinc/99/71/61/317997161.db2.gz VXDXPCNYPUNLJY-LSDHHAIUSA-N -1 3 340.420 2.568 20 30 EFEDHM CC(F)(F)C[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000549914848 318184933 /nfs/dbraw/zinc/18/49/33/318184933.db2.gz JPTJONVYYBFKTN-UHFFFAOYSA-N -1 3 328.262 2.511 20 30 EFEDHM N#Cc1cccc(OCCCCC(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000553001555 318268116 /nfs/dbraw/zinc/26/81/16/318268116.db2.gz FDDFCAQSFWVEQW-UHFFFAOYSA-N -1 3 334.379 2.816 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)s1 ZINC000555843178 318371116 /nfs/dbraw/zinc/37/11/16/318371116.db2.gz BFOBCWSNUXBSFR-LBPRGKRZSA-N -1 3 340.470 2.780 20 30 EFEDHM CCc1nn(Cc2ccc([O-])c3nc(C)ccc23)c(=O)c(C#N)c1CC ZINC000559206513 318505171 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C=CCCOCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000138551324 473220864 /nfs/dbraw/zinc/22/08/64/473220864.db2.gz XGQKILIZILNERA-UHFFFAOYSA-N -1 3 327.384 2.531 20 30 EFEDHM C#CC[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000095942835 473226661 /nfs/dbraw/zinc/22/66/61/473226661.db2.gz HNXDQXOTKRASJC-MRXNPFEDSA-N -1 3 328.412 2.777 20 30 EFEDHM CCCOc1ccc(/C=N/[C@@H]2CCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000111998042 473238187 /nfs/dbraw/zinc/23/81/87/473238187.db2.gz MKBJVRXBLMRANE-PCQWDSEFSA-N -1 3 344.333 2.763 20 30 EFEDHM CC(C)c1nc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c[nH]1 ZINC000124413474 473242948 /nfs/dbraw/zinc/24/29/48/473242948.db2.gz XTOGCOSLELJYFT-CQSZACIVSA-N -1 3 332.429 2.856 20 30 EFEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1F ZINC000177012626 473285772 /nfs/dbraw/zinc/28/57/72/473285772.db2.gz YICCMVIGXUXAAK-UHFFFAOYSA-N -1 3 338.335 2.954 20 30 EFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)NCc1ccc(C#N)cc1)c2=O ZINC000162598416 473359878 /nfs/dbraw/zinc/35/98/78/473359878.db2.gz UCOJOSOTDHRUOG-UHFFFAOYSA-N -1 3 335.338 2.777 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000125260192 473383505 /nfs/dbraw/zinc/38/35/05/473383505.db2.gz JDAKMAQGDDATQF-UHFFFAOYSA-N -1 3 347.371 2.630 20 30 EFEDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619752642 479875497 /nfs/dbraw/zinc/87/54/97/479875497.db2.gz HXMLMLYOHIYALX-UHFFFAOYSA-N -1 3 341.845 2.709 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H](c2ccccc2Cl)N(C)C)c1[O-] ZINC000005110934 471486824 /nfs/dbraw/zinc/48/68/24/471486824.db2.gz QFQDCYPFMMLHSJ-BSNPHMGVSA-N -1 3 347.846 2.963 20 30 EFEDHM COc1ccc(C)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000005165137 471489470 /nfs/dbraw/zinc/48/94/70/471489470.db2.gz QLKYVGZXDSIQJG-UHFFFAOYSA-N -1 3 339.395 2.752 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1ccccc1 ZINC000017298463 471959889 /nfs/dbraw/zinc/95/98/89/471959889.db2.gz DNDPPIRTMCWYTQ-UHFFFAOYSA-N -1 3 337.423 2.545 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(Cl)c1 ZINC000019679080 471983720 /nfs/dbraw/zinc/98/37/20/471983720.db2.gz XKHMEURDXNJABL-UHFFFAOYSA-N -1 3 343.814 2.766 20 30 EFEDHM COc1ccccc1-c1nc(NC(=O)CNC(=O)CC(C)(C)C)n[n-]1 ZINC000053808206 472036892 /nfs/dbraw/zinc/03/68/92/472036892.db2.gz AWURQGYKVLNDDN-UHFFFAOYSA-N -1 3 345.403 2.621 20 30 EFEDHM Cc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000024352645 472052223 /nfs/dbraw/zinc/05/22/23/472052223.db2.gz YQXXUHWGNSCGDG-UHFFFAOYSA-N -1 3 337.423 2.763 20 30 EFEDHM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041495202 472066189 /nfs/dbraw/zinc/06/61/89/472066189.db2.gz MHLKUAGZZABBEX-SHACYNPGSA-N -1 3 337.404 2.931 20 30 EFEDHM N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1nc2ccccc2[nH]1 ZINC000054428525 472088245 /nfs/dbraw/zinc/08/82/45/472088245.db2.gz KXJGDXDESWNQHF-ZDUSSCGKSA-N -1 3 347.378 2.617 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)CCC)ccc1F ZINC000041988252 472102738 /nfs/dbraw/zinc/10/27/38/472102738.db2.gz IUSPGDKDTRMXHF-LBPRGKRZSA-N -1 3 342.436 2.551 20 30 EFEDHM COc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000067910077 472108449 /nfs/dbraw/zinc/10/84/49/472108449.db2.gz UYMPLLSYERGNII-UHFFFAOYSA-N -1 3 345.237 2.571 20 30 EFEDHM COc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000067910077 472108454 /nfs/dbraw/zinc/10/84/54/472108454.db2.gz UYMPLLSYERGNII-UHFFFAOYSA-N -1 3 345.237 2.571 20 30 EFEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000054727769 472112221 /nfs/dbraw/zinc/11/22/21/472112221.db2.gz FARFZGAJTANJBB-CQSZACIVSA-N -1 3 339.399 2.677 20 30 EFEDHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=C([O-])NC1=NCCS1 ZINC000042195197 472122181 /nfs/dbraw/zinc/12/21/81/472122181.db2.gz YQLJOBRUFRRFCC-UHFFFAOYSA-N -1 3 348.859 2.904 20 30 EFEDHM C=CCNC(=O)Cc1nc(=O)c2c([n-]1)sc(C)c2-c1ccccc1 ZINC000055502019 472195248 /nfs/dbraw/zinc/19/52/48/472195248.db2.gz ICBQCADLDLIEFB-UHFFFAOYSA-N -1 3 339.420 2.805 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2cccc(NC(=O)C3CC3)c2)c1[O-] ZINC000028185440 472215963 /nfs/dbraw/zinc/21/59/63/472215963.db2.gz MMIWUWGZMXCFKL-AWQFTUOYSA-N -1 3 325.368 2.687 20 30 EFEDHM Cc1sc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)c(C#N)c1C ZINC000028605136 472230727 /nfs/dbraw/zinc/23/07/27/472230727.db2.gz FRPMCQSUYNCNKX-UHFFFAOYSA-N -1 3 326.385 2.543 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccco2)c(C(F)(F)F)c1 ZINC000055941398 472260811 /nfs/dbraw/zinc/26/08/11/472260811.db2.gz MBYXZFYQMBSDMV-UHFFFAOYSA-N -1 3 330.287 2.649 20 30 EFEDHM CCCn1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000617431875 480215655 /nfs/dbraw/zinc/21/56/55/480215655.db2.gz NULLPZSYYIDLGE-UHFFFAOYSA-N -1 3 337.832 2.902 20 30 EFEDHM CC(C)COC[C@H]([N-]S(=O)(=O)CCCCC#N)c1ccco1 ZINC000068908295 472264420 /nfs/dbraw/zinc/26/44/20/472264420.db2.gz PGMWONWLIVIXCX-AWEZNQCLSA-N -1 3 328.434 2.607 20 30 EFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1ccc(C#N)cc1 ZINC000056049275 472275931 /nfs/dbraw/zinc/27/59/31/472275931.db2.gz 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ZINC000032045064 472410216 /nfs/dbraw/zinc/41/02/16/472410216.db2.gz MIGNJSCLALTDPY-UHFFFAOYSA-N -1 3 347.378 2.870 20 30 EFEDHM CCCOc1ccc(/C=N/[C@H]2CCCn3nc(COC)nc32)c([O-])c1 ZINC000155089941 472506275 /nfs/dbraw/zinc/50/62/75/472506275.db2.gz IQAJZGQPVGEBQC-BKQORJHRSA-N -1 3 344.415 2.873 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000046444638 472558883 /nfs/dbraw/zinc/55/88/83/472558883.db2.gz QLHSNNQNDIUCDR-CQSZACIVSA-N -1 3 329.444 2.832 20 30 EFEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000130558276 472613784 /nfs/dbraw/zinc/61/37/84/472613784.db2.gz QSDQWUAAKHAGSS-XPTSAGLGSA-N -1 3 332.347 2.855 20 30 EFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000130558066 472613803 /nfs/dbraw/zinc/61/38/03/472613803.db2.gz QSDQWUAAKHAGSS-OTYXRUKQSA-N -1 3 332.347 2.855 20 30 EFEDHM N#Cc1ccc(Cl)cc1NCC[N-]S(=O)(=O)c1cccs1 ZINC000120007722 472616189 /nfs/dbraw/zinc/61/61/89/472616189.db2.gz HWUSDKJCUWTHCK-UHFFFAOYSA-N -1 3 341.845 2.664 20 30 EFEDHM N#CCc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1 ZINC000071914690 472619279 /nfs/dbraw/zinc/61/92/79/472619279.db2.gz HIUUZCNRHBCJPM-UHFFFAOYSA-N -1 3 334.372 2.712 20 30 EFEDHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156069328 472661123 /nfs/dbraw/zinc/66/11/23/472661123.db2.gz SMPVXPDOSYZPCZ-LLVKDONJSA-N -1 3 325.390 2.569 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc2c1oc(=O)n2C ZINC000156206732 472677216 /nfs/dbraw/zinc/67/72/16/472677216.db2.gz KTYFSMWOAGBKAL-GFCCVEGCSA-N -1 3 346.346 2.508 20 30 EFEDHM CCCOc1ccc(/C=N/[C@@H](C)C(=O)NCc2ccco2)c([O-])c1 ZINC000120388229 472679154 /nfs/dbraw/zinc/67/91/54/472679154.db2.gz ITBRXJJVVMRBNL-MDBUFAAASA-N -1 3 330.384 2.898 20 30 EFEDHM CC[C@](C)([N-]S(=O)(=O)c1cccc(C)c1C#N)c1nccs1 ZINC000120420208 472685408 /nfs/dbraw/zinc/68/54/08/472685408.db2.gz ORBMFOAKSUMDAS-HNNXBMFYSA-N -1 3 335.454 2.927 20 30 EFEDHM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc12 ZINC000047359351 472696461 /nfs/dbraw/zinc/69/64/61/472696461.db2.gz DAMKXFZOTUKWJF-ZDUSSCGKSA-N -1 3 330.351 2.643 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000156866433 472761633 /nfs/dbraw/zinc/76/16/33/472761633.db2.gz CUKAQDJQMAVUCM-UHFFFAOYSA-N -1 3 341.367 2.724 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000073287272 472793596 /nfs/dbraw/zinc/79/35/96/472793596.db2.gz QUZZFWPFPOJMJU-UHFFFAOYSA-N -1 3 325.412 2.534 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000157264116 472802539 /nfs/dbraw/zinc/80/25/39/472802539.db2.gz ZIWPJKJLWSBOEI-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM COC(=O)c1cccc(NC(=O)c2ccc(C#N)c(Cl)c2)c1[O-] ZINC000133487515 472809568 /nfs/dbraw/zinc/80/95/68/472809568.db2.gz IQJQVEXWLDPTCK-UHFFFAOYSA-N -1 3 330.727 2.956 20 30 EFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000157458424 472822447 /nfs/dbraw/zinc/82/24/47/472822447.db2.gz GZZGCLKTRSVMJD-UHFFFAOYSA-N -1 3 346.383 2.741 20 30 EFEDHM C=C(C)CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000157473349 472824059 /nfs/dbraw/zinc/82/40/59/472824059.db2.gz VWCAJDHOEHSXFH-UHFFFAOYSA-N -1 3 343.424 2.600 20 30 EFEDHM C=CCN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000157473202 472825162 /nfs/dbraw/zinc/82/51/62/472825162.db2.gz LPRXCYJAWOGOSB-UHFFFAOYSA-N -1 3 343.424 2.552 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(CC(C)C)CC1 ZINC000133767794 472838965 /nfs/dbraw/zinc/83/89/65/472838965.db2.gz BLFYFRFXMQWGCD-UHFFFAOYSA-N -1 3 329.444 2.739 20 30 EFEDHM COc1ccc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1O ZINC000064307937 472841527 /nfs/dbraw/zinc/84/15/27/472841527.db2.gz UYSSTHDSLZNIFM-YCRREMRBSA-N -1 3 347.392 2.668 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000106422473 472850323 /nfs/dbraw/zinc/85/03/23/472850323.db2.gz AQKMPWDSINYOJT-UHFFFAOYSA-N -1 3 342.443 2.775 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000157718211 472850578 /nfs/dbraw/zinc/85/05/78/472850578.db2.gz ZSPJXDYGCLGDQD-UHFFFAOYSA-N -1 3 340.420 2.715 20 30 EFEDHM CC(C)(C#N)c1ccccc1CSc1nc2n[nH]cc2c(=O)[n-]1 ZINC000133966639 472860518 /nfs/dbraw/zinc/86/05/18/472860518.db2.gz JQOMAHHYUXHRGO-UHFFFAOYSA-N -1 3 325.397 2.740 20 30 EFEDHM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000134090993 472872640 /nfs/dbraw/zinc/87/26/40/472872640.db2.gz LGWHRUYKZAINRU-UHFFFAOYSA-N -1 3 344.392 2.722 20 30 EFEDHM O=C(COc1ccccc1[N+](=O)[O-])Nc1nnc(-c2ccco2)[n-]1 ZINC000073973331 472913047 /nfs/dbraw/zinc/91/30/47/472913047.db2.gz FDNJUSBUANGVLG-UHFFFAOYSA-N -1 3 329.272 2.640 20 30 EFEDHM O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccco2)n[n-]1 ZINC000073973331 472913055 /nfs/dbraw/zinc/91/30/55/472913055.db2.gz FDNJUSBUANGVLG-UHFFFAOYSA-N -1 3 329.272 2.640 20 30 EFEDHM O=C(COc1ccccc1[N+](=O)[O-])Nc1n[n-]c(-c2ccco2)n1 ZINC000073973331 472913057 /nfs/dbraw/zinc/91/30/57/472913057.db2.gz FDNJUSBUANGVLG-UHFFFAOYSA-N -1 3 329.272 2.640 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1OC ZINC000073974240 472914542 /nfs/dbraw/zinc/91/45/42/472914542.db2.gz IGGHKOPKGLNESN-UHFFFAOYSA-N -1 3 340.339 2.890 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1OC ZINC000073974240 472914546 /nfs/dbraw/zinc/91/45/46/472914546.db2.gz IGGHKOPKGLNESN-UHFFFAOYSA-N -1 3 340.339 2.890 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1OC ZINC000073974240 472914553 /nfs/dbraw/zinc/91/45/53/472914553.db2.gz IGGHKOPKGLNESN-UHFFFAOYSA-N -1 3 340.339 2.890 20 30 EFEDHM O=C(CCNC(=O)c1cccs1)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973819 472914917 /nfs/dbraw/zinc/91/49/17/472914917.db2.gz WMKJCTRLEFZNLL-UHFFFAOYSA-N -1 3 331.357 2.534 20 30 EFEDHM O=C(CCNC(=O)c1cccs1)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973819 472914923 /nfs/dbraw/zinc/91/49/23/472914923.db2.gz WMKJCTRLEFZNLL-UHFFFAOYSA-N -1 3 331.357 2.534 20 30 EFEDHM O=C(CCNC(=O)c1cccs1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973819 472914927 /nfs/dbraw/zinc/91/49/27/472914927.db2.gz WMKJCTRLEFZNLL-UHFFFAOYSA-N -1 3 331.357 2.534 20 30 EFEDHM COC[C@@](C)(C#N)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000092602404 472944112 /nfs/dbraw/zinc/94/41/12/472944112.db2.gz PPQJIXLUERCWEI-HXUWFJFHSA-N -1 3 338.407 2.836 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000134710130 472957037 /nfs/dbraw/zinc/95/70/37/472957037.db2.gz NDCLGMAIGUGLSC-AWEZNQCLSA-N -1 3 325.430 2.565 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)Cc1cccs1 ZINC000122243627 472991495 /nfs/dbraw/zinc/99/14/95/472991495.db2.gz QDSIXRYURKTIRX-LLVKDONJSA-N -1 3 338.429 2.916 20 30 EFEDHM C=CCNC(=O)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000065654642 472998000 /nfs/dbraw/zinc/99/80/00/472998000.db2.gz AWOFUZDFBARDEZ-UHFFFAOYSA-N -1 3 347.374 2.696 20 30 EFEDHM C=CCNC(=O)c1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1 ZINC000065654642 472998006 /nfs/dbraw/zinc/99/80/06/472998006.db2.gz AWOFUZDFBARDEZ-UHFFFAOYSA-N -1 3 347.374 2.696 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000074502462 473018112 /nfs/dbraw/zinc/01/81/12/473018112.db2.gz 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ZINC000160654133 473156138 /nfs/dbraw/zinc/15/61/38/473156138.db2.gz KCNDTRGPEKWYDP-UHFFFAOYSA-N -1 3 340.451 2.899 20 30 EFEDHM CCc1ccc(S(C)(=O)=O)cc1C([O-])=C(C#N)c1ccccn1 ZINC000136536241 473163705 /nfs/dbraw/zinc/16/37/05/473163705.db2.gz WNPJRGHIWKCEIN-HNNXBMFYSA-N -1 3 328.393 2.538 20 30 EFEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cnc1Cl ZINC000177561788 473400454 /nfs/dbraw/zinc/40/04/54/473400454.db2.gz RNDTTZGWMNTBLI-UHFFFAOYSA-N -1 3 344.802 2.792 20 30 EFEDHM CC(C)([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nccs1 ZINC000162961048 473401340 /nfs/dbraw/zinc/40/13/40/473401340.db2.gz DEZNPNPGUVYQFU-UHFFFAOYSA-N -1 3 339.417 2.509 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)c(F)c1 ZINC000151075851 473405447 /nfs/dbraw/zinc/40/54/47/473405447.db2.gz CDNIJXQPVSEZML-UHFFFAOYSA-N -1 3 348.374 2.847 20 30 EFEDHM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151091579 473407596 /nfs/dbraw/zinc/40/75/96/473407596.db2.gz WADGXOWPWVIUCV-UHFFFAOYSA-N -1 3 348.399 2.963 20 30 EFEDHM 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ZINC000152650119 473585764 /nfs/dbraw/zinc/58/57/64/473585764.db2.gz CCDVJCNYMAMLRA-UHFFFAOYSA-N -1 3 326.418 2.512 20 30 EFEDHM CC(C)CCn1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)nn1 ZINC000172556948 473641447 /nfs/dbraw/zinc/64/14/47/473641447.db2.gz JAQLDSZJZCPOFB-UHFFFAOYSA-N -1 3 329.429 2.998 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000186347116 473657060 /nfs/dbraw/zinc/65/70/60/473657060.db2.gz GMSFIQFLSVHAHB-UHFFFAOYSA-N -1 3 330.384 2.751 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000186425059 473672480 /nfs/dbraw/zinc/67/24/80/473672480.db2.gz DONFUMWUQMIMES-SECBINFHSA-N -1 3 335.198 2.559 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000186436401 473674281 /nfs/dbraw/zinc/67/42/81/473674281.db2.gz BGWKDEDQDPGHFU-QMMMGPOBSA-N -1 3 337.228 2.973 20 30 EFEDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000186469678 473678424 /nfs/dbraw/zinc/67/84/24/473678424.db2.gz MGWZLNCLUSAAQT-VIFPVBQESA-N -1 3 339.417 2.544 20 30 EFEDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000186469692 473678478 /nfs/dbraw/zinc/67/84/78/473678478.db2.gz MGWZLNCLUSAAQT-SECBINFHSA-N -1 3 339.417 2.544 20 30 EFEDHM COc1ccc(-n2nnc(C(=O)[N-]c3sccc3C#N)c2C)cc1 ZINC000192500443 473686303 /nfs/dbraw/zinc/68/63/03/473686303.db2.gz GALFTPZQVZNQJM-UHFFFAOYSA-N -1 3 339.380 2.770 20 30 EFEDHM Cc1cccc(F)c1S(=O)(=O)[N-][C@]1(C#N)CCc2ccccc2C1 ZINC000186615847 473699392 /nfs/dbraw/zinc/69/93/92/473699392.db2.gz XXKMMYQWEWMNGC-GOSISDBHSA-N -1 3 344.411 2.864 20 30 EFEDHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@]1(C#N)CCc2ccccc2C1 ZINC000186615868 473700622 /nfs/dbraw/zinc/70/06/22/473700622.db2.gz XXKMMYQWEWMNGC-SFHVURJKSA-N -1 3 344.411 2.864 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@](C)(O)c2ccccc2Cl)c1[O-] ZINC000274075001 473725882 /nfs/dbraw/zinc/72/58/82/473725882.db2.gz LRFQWEDRRLGRRN-WPJYADHBSA-N -1 3 334.803 2.568 20 30 EFEDHM C=CCN1CCC(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)CC1 ZINC000186787789 473756707 /nfs/dbraw/zinc/75/67/07/473756707.db2.gz LROMQBYBOJHQJD-UHFFFAOYSA-N -1 3 338.835 2.825 20 30 EFEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3ccccn3)cn2)C[C@H](C)O1 ZINC000193251328 473776484 /nfs/dbraw/zinc/77/64/84/473776484.db2.gz RXGVFODNBUDELA-LZWOXQAQSA-N -1 3 336.395 2.580 20 30 EFEDHM COCc1nc(SCC#Cc2ccc(OC(F)(F)F)cc2)n[n-]1 ZINC000269390471 473796793 /nfs/dbraw/zinc/79/67/93/473796793.db2.gz XDNJFPJSRBNZHY-UHFFFAOYSA-N -1 3 343.330 2.994 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCc2cn(C)c3cc(F)ccc23)c1[O-] ZINC000274498485 473851854 /nfs/dbraw/zinc/85/18/54/473851854.db2.gz JYTSCYRAGLWIPR-ZVBGSRNCSA-N -1 3 341.386 2.880 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(=O)[nH]c(C2CC2)c1 ZINC000187467429 473876792 /nfs/dbraw/zinc/87/67/92/473876792.db2.gz SDPPZLHGFZSPOY-ZDUSSCGKSA-N -1 3 332.363 2.629 20 30 EFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000281938677 473890836 /nfs/dbraw/zinc/89/08/36/473890836.db2.gz INZVZPIMDNXFFG-ZETCQYMHSA-N -1 3 337.626 2.683 20 30 EFEDHM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000269851969 473897247 /nfs/dbraw/zinc/89/72/47/473897247.db2.gz RBUORKLZMZEFIV-UHFFFAOYSA-N -1 3 344.864 2.679 20 30 EFEDHM N#Cc1cccc(OC2CCN(C(=O)c3cccc4[n-]nnc43)CC2)c1 ZINC000187784531 473920633 /nfs/dbraw/zinc/92/06/33/473920633.db2.gz SOJGTAGVQLHDOA-UHFFFAOYSA-N -1 3 347.378 2.513 20 30 EFEDHM N#Cc1cccc(OC2CCN(C(=O)c3cccc4nn[n-]c43)CC2)c1 ZINC000187784531 473920639 /nfs/dbraw/zinc/92/06/39/473920639.db2.gz SOJGTAGVQLHDOA-UHFFFAOYSA-N -1 3 347.378 2.513 20 30 EFEDHM N#Cc1cccc(OC2CCN(C(=O)c3cccc4n[n-]nc43)CC2)c1 ZINC000187784531 473920645 /nfs/dbraw/zinc/92/06/45/473920645.db2.gz SOJGTAGVQLHDOA-UHFFFAOYSA-N -1 3 347.378 2.513 20 30 EFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000173739683 473922316 /nfs/dbraw/zinc/92/23/16/473922316.db2.gz LANCOIHPWVDFAE-UHFFFAOYSA-N -1 3 344.289 2.593 20 30 EFEDHM COC(=O)CC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000264346136 473960520 /nfs/dbraw/zinc/96/05/20/473960520.db2.gz DZKZOWWTOZEVAB-LASGFXPTSA-N -1 3 342.395 2.701 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000180846819 473976439 /nfs/dbraw/zinc/97/64/39/473976439.db2.gz BFGIAJAGTJNDER-LLVKDONJSA-N -1 3 329.393 2.635 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000180857133 473977959 /nfs/dbraw/zinc/97/79/59/473977959.db2.gz XEBJBKRQDBNPKO-LLVKDONJSA-N -1 3 328.390 2.627 20 30 EFEDHM CC[C@H](C)[C@H](/N=C/c1c([O-])c(C)ncc1CO)C(=O)OC(C)(C)C ZINC000270128997 474000807 /nfs/dbraw/zinc/00/08/07/474000807.db2.gz OHMUVIOCCXYJKP-JUEUBRAISA-N -1 3 336.432 2.763 20 30 EFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(F)cc1 ZINC000181293409 474022859 /nfs/dbraw/zinc/02/28/59/474022859.db2.gz YNVLLSFPDRESTE-QMMMGPOBSA-N -1 3 342.252 2.525 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000181403696 474034669 /nfs/dbraw/zinc/03/46/69/474034669.db2.gz NULIGCKQFYKWLI-OAHLLOKOSA-N -1 3 345.443 2.604 20 30 EFEDHM CCOC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(C)C ZINC000188391408 474079218 /nfs/dbraw/zinc/07/92/18/474079218.db2.gz NOZGYGDLTDBEDI-CYBMUJFWSA-N -1 3 330.837 2.551 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000282478184 474080758 /nfs/dbraw/zinc/08/07/58/474080758.db2.gz XJFUKYBKEQAFTO-JTQLQIEISA-N -1 3 332.347 2.801 20 30 EFEDHM CSc1nnc(NC(=O)CCCCOc2cccc(C#N)c2)[n-]1 ZINC000264715185 474100560 /nfs/dbraw/zinc/10/05/60/474100560.db2.gz WSVJXDRDFJXILK-UHFFFAOYSA-N -1 3 331.401 2.586 20 30 EFEDHM CSc1n[n-]c(NC(=O)CCCCOc2cccc(C#N)c2)n1 ZINC000264715185 474100567 /nfs/dbraw/zinc/10/05/67/474100567.db2.gz WSVJXDRDFJXILK-UHFFFAOYSA-N -1 3 331.401 2.586 20 30 EFEDHM CSc1nc(NC(=O)CCCCOc2cccc(C#N)c2)n[n-]1 ZINC000264715185 474100571 /nfs/dbraw/zinc/10/05/71/474100571.db2.gz WSVJXDRDFJXILK-UHFFFAOYSA-N -1 3 331.401 2.586 20 30 EFEDHM O=S(=O)([N-]CC#Cc1ccc(C(F)(F)F)cc1)c1ccco1 ZINC000188745253 474182086 /nfs/dbraw/zinc/18/20/86/474182086.db2.gz UMPPJJLHTBWYNB-UHFFFAOYSA-N -1 3 329.299 2.628 20 30 EFEDHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000225357994 474207758 /nfs/dbraw/zinc/20/77/58/474207758.db2.gz XUEHSXRWACMLQA-QPUJVOFHSA-N -1 3 347.209 2.559 20 30 EFEDHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000225357958 474207861 /nfs/dbraw/zinc/20/78/61/474207861.db2.gz XUEHSXRWACMLQA-PELKAZGASA-N -1 3 347.209 2.559 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2occc2C1 ZINC000289310402 474219820 /nfs/dbraw/zinc/21/98/20/474219820.db2.gz WFQGLXBLIJIMNA-UHFFFAOYSA-N -1 3 339.395 2.776 20 30 EFEDHM C=CC[C@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182711467 474239817 /nfs/dbraw/zinc/23/98/17/474239817.db2.gz FSHCGEGNUHPINO-JTQLQIEISA-N -1 3 329.356 2.635 20 30 EFEDHM N#Cc1ccc(F)c(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000289487585 474292243 /nfs/dbraw/zinc/29/22/43/474292243.db2.gz ORNQVQVCMORJDV-GFCCVEGCSA-N -1 3 343.324 2.588 20 30 EFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1CCN(C)C ZINC000275876042 474348039 /nfs/dbraw/zinc/34/80/39/474348039.db2.gz ZQAIOZLDWXBXBP-UHFFFAOYSA-N -1 3 343.452 2.772 20 30 EFEDHM N#C[C@H]1CN(Cc2cc(F)ccc2[O-])CCN1Cc1ccccc1 ZINC000183294485 474368911 /nfs/dbraw/zinc/36/89/11/474368911.db2.gz AYXHGIVMRMUEFM-SFHVURJKSA-N -1 3 325.387 2.741 20 30 EFEDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000271245405 474457904 /nfs/dbraw/zinc/45/79/04/474457904.db2.gz CBHRZEPZCDQHTE-LHUAFDPOSA-N -1 3 332.375 2.922 20 30 EFEDHM CCOC(=O)N1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000184533697 474539664 /nfs/dbraw/zinc/53/96/64/474539664.db2.gz CBWNIZCOCGQSIK-WIJRQFRKSA-N -1 3 341.205 2.804 20 30 EFEDHM N#Cc1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1[O-] ZINC000190079920 474545015 /nfs/dbraw/zinc/54/50/15/474545015.db2.gz VWDMSQBVCPLNAP-SFHVURJKSA-N -1 3 335.407 2.831 20 30 EFEDHM CC[C@](C)(OC)c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000290236975 474563220 /nfs/dbraw/zinc/56/32/20/474563220.db2.gz ZWSFOROPTJUDJX-KRWDZBQOSA-N -1 3 330.388 2.716 20 30 EFEDHM CCc1ccc([C@@H](C#N)NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000290279498 474564467 /nfs/dbraw/zinc/56/44/67/474564467.db2.gz XVFVRCQWSKKSPI-QGZVFWFLSA-N -1 3 338.411 2.675 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccc(Cl)cc3)C2)c1[O-] ZINC000271835339 474595454 /nfs/dbraw/zinc/59/54/54/474595454.db2.gz FOVJRESXTOKHGS-PZEXIZOFSA-N -1 3 345.830 2.939 20 30 EFEDHM C=CC[C@H]1N(C(=O)CNC(=O)c2cccc([O-])c2)CCCC1(C)C ZINC000278181423 474602863 /nfs/dbraw/zinc/60/28/63/474602863.db2.gz QXGIBDQYLPIFSH-MRXNPFEDSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCN1CC[C@@H](N(C)Cc2cc([O-])cc(C(F)(F)F)c2)C1=O ZINC000291485652 474605470 /nfs/dbraw/zinc/60/54/70/474605470.db2.gz GCOXRRRVJOMJEX-CQSZACIVSA-N -1 3 328.334 2.630 20 30 EFEDHM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000344408957 474728301 /nfs/dbraw/zinc/72/83/01/474728301.db2.gz MKDUEFCIWPTQNN-JOYOIKCWSA-N -1 3 343.246 2.788 20 30 EFEDHM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)o1 ZINC000291940669 474763843 /nfs/dbraw/zinc/76/38/43/474763843.db2.gz NATMIGOHSCEXDK-UHFFFAOYSA-N -1 3 339.804 2.549 20 30 EFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000344811147 474794302 /nfs/dbraw/zinc/79/43/02/474794302.db2.gz LLFRQRIGKPLKGE-SNVBAGLBSA-N -1 3 343.246 2.954 20 30 EFEDHM N#CC(=C([O-])c1cnn(CCF)c1)c1ccc(C(F)(F)F)cn1 ZINC000344847849 474799427 /nfs/dbraw/zinc/79/94/27/474799427.db2.gz PCUBXTAABKIYLS-NSHDSACASA-N -1 3 326.253 2.756 20 30 EFEDHM C=CCC(C)(C)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000292010211 474800837 /nfs/dbraw/zinc/80/08/37/474800837.db2.gz YRYXCNPFHMRWCC-GOSISDBHSA-N -1 3 340.383 2.645 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccccc1 ZINC000344887004 474807513 /nfs/dbraw/zinc/80/75/13/474807513.db2.gz HQVVWRKYJXLMOA-UHFFFAOYSA-N -1 3 337.422 2.526 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)C#N)c(Cl)c1Cl ZINC000344892433 474807936 /nfs/dbraw/zinc/80/79/36/474807936.db2.gz KJVJQQFGWBCIAA-UHFFFAOYSA-N -1 3 337.228 2.830 20 30 EFEDHM O=C(CNCC(F)(F)F)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000344988124 474822733 /nfs/dbraw/zinc/82/27/33/474822733.db2.gz GXJNAGBWWXDJQV-JTQLQIEISA-N -1 3 332.219 2.697 20 30 EFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000284960529 474842380 /nfs/dbraw/zinc/84/23/80/474842380.db2.gz CAEPVIFWNQIXOL-CYBMUJFWSA-N -1 3 332.516 2.969 20 30 EFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000285002460 474859903 /nfs/dbraw/zinc/85/99/03/474859903.db2.gz GGXFOVGQEMOKOX-NSHDSACASA-N -1 3 339.269 2.917 20 30 EFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000315588614 474873787 /nfs/dbraw/zinc/87/37/87/474873787.db2.gz LWYYLBRXAYXWDK-UHFFFAOYSA-N -1 3 349.225 2.806 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c1 ZINC000316353381 474877920 /nfs/dbraw/zinc/87/79/20/474877920.db2.gz JMVDHSROLDVILB-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM C=CCCCS(=O)(=O)[N-][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000293233677 474880620 /nfs/dbraw/zinc/88/06/20/474880620.db2.gz FYQABHWEJTVCTG-LLVKDONJSA-N -1 3 339.392 2.822 20 30 EFEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCC#N)s2)cs1 ZINC000273442531 474899737 /nfs/dbraw/zinc/89/97/37/474899737.db2.gz BXFDBLRBDCXENN-UHFFFAOYSA-N -1 3 327.456 2.762 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)s1 ZINC000320220028 474909384 /nfs/dbraw/zinc/90/93/84/474909384.db2.gz REQNCYDWNCWTQC-UHFFFAOYSA-N -1 3 331.422 2.622 20 30 EFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000339127228 474953255 /nfs/dbraw/zinc/95/32/55/474953255.db2.gz IBCCHYUGMBBEIT-WDEREUQCSA-N -1 3 336.310 2.746 20 30 EFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1F ZINC000339127227 474953376 /nfs/dbraw/zinc/95/33/76/474953376.db2.gz IBCCHYUGMBBEIT-QWRGUYRKSA-N -1 3 336.310 2.746 20 30 EFEDHM C=C[C@](C)(O)CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000279223838 474964452 /nfs/dbraw/zinc/96/44/52/474964452.db2.gz OALDHKYPDPKHOM-SFHVURJKSA-N -1 3 327.384 2.677 20 30 EFEDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000293469021 474995033 /nfs/dbraw/zinc/99/50/33/474995033.db2.gz 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C#CCCCC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000286478479 475068398 /nfs/dbraw/zinc/06/83/98/475068398.db2.gz ADJDMOTVEGUAMT-UHFFFAOYSA-N -1 3 339.310 2.806 20 30 EFEDHM C#CCCN1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000294526418 475069791 /nfs/dbraw/zinc/06/97/91/475069791.db2.gz LBNLTLLVEBBRAP-UHFFFAOYSA-N -1 3 336.435 2.646 20 30 EFEDHM C=CCCCCCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000286899072 475086033 /nfs/dbraw/zinc/08/60/33/475086033.db2.gz FESWFAGXDOSINZ-CYBMUJFWSA-N -1 3 344.502 2.668 20 30 EFEDHM CO[C@H](CS(=O)(=O)[N-][C@@H](C#N)C1CCCCC1)c1ccccc1 ZINC000294915273 475092645 /nfs/dbraw/zinc/09/26/45/475092645.db2.gz BXHJOPBAVXRRJM-DLBZAZTESA-N -1 3 336.457 2.766 20 30 EFEDHM CO[C@H](CS(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1)c1ccccc1 ZINC000295147136 475107836 /nfs/dbraw/zinc/10/78/36/475107836.db2.gz DVLHRKJNGLBIFF-USXIJHARSA-N -1 3 336.457 2.766 20 30 EFEDHM CSc1nc(C)c(CCC(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(=O)[n-]1 ZINC000329710156 475115652 /nfs/dbraw/zinc/11/56/52/475115652.db2.gz 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ZINC000341685753 475222872 /nfs/dbraw/zinc/22/28/72/475222872.db2.gz ANWALZVQUQNZSN-UHFFFAOYSA-N -1 3 332.363 2.977 20 30 EFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000345536401 475250448 /nfs/dbraw/zinc/25/04/48/475250448.db2.gz HDJSUKAQEGAQHK-GHMZBOCLSA-N -1 3 333.837 2.607 20 30 EFEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c2cnn(C)c2n1 ZINC000347348749 475254790 /nfs/dbraw/zinc/25/47/90/475254790.db2.gz VRIKUAIRLBQBJJ-CYBMUJFWSA-N -1 3 344.378 2.952 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCOCC1 ZINC000331282973 475332828 /nfs/dbraw/zinc/33/28/28/475332828.db2.gz JOOXXDPNIITWOB-CQSZACIVSA-N -1 3 342.848 2.695 20 30 EFEDHM COCc1nnc(-c2cccc(C([O-])=C(C#N)c3ccccn3)c2)o1 ZINC000345666678 475349126 /nfs/dbraw/zinc/34/91/26/475349126.db2.gz SFZHMACUYBRSLJ-CQSZACIVSA-N -1 3 334.335 2.768 20 30 EFEDHM C=CC1CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CC1 ZINC000348169999 475449479 /nfs/dbraw/zinc/44/94/79/475449479.db2.gz XLHWYAYGZGDWFX-UHFFFAOYSA-N -1 3 335.411 2.919 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000345788291 475452175 /nfs/dbraw/zinc/45/21/75/475452175.db2.gz QGRYKHXHBCWIHS-UONOGXRCSA-N -1 3 349.412 2.557 20 30 EFEDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000341960856 475452603 /nfs/dbraw/zinc/45/26/03/475452603.db2.gz SIKJNCKTBRYEBE-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccncc1F ZINC000337964304 475465212 /nfs/dbraw/zinc/46/52/12/475465212.db2.gz VTEXWWSYYOMVOZ-SECBINFHSA-N -1 3 339.779 2.785 20 30 EFEDHM N#Cc1ccsc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000338031797 475527881 /nfs/dbraw/zinc/52/78/81/475527881.db2.gz OFJGTXAOGDOUDB-UHFFFAOYSA-N -1 3 347.197 2.704 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000338040865 475535329 /nfs/dbraw/zinc/53/53/29/475535329.db2.gz STSODQZQESKRRH-UHFFFAOYSA-N -1 3 345.156 2.544 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000338081508 475571730 /nfs/dbraw/zinc/57/17/30/475571730.db2.gz CGNUHAIZRKAWRF-UHFFFAOYSA-N -1 3 347.371 2.630 20 30 EFEDHM CCOc1nc2cc(C(=O)N(CCC#N)Cc3cccnc3)ccc2[n-]1 ZINC000346322983 475585905 /nfs/dbraw/zinc/58/59/05/475585905.db2.gz GSAKANDRXYBCGT-UHFFFAOYSA-N -1 3 349.394 2.913 20 30 EFEDHM CCOc1nc2ccc(C(=O)N(CCC#N)Cc3cccnc3)cc2[n-]1 ZINC000346322983 475585910 /nfs/dbraw/zinc/58/59/10/475585910.db2.gz GSAKANDRXYBCGT-UHFFFAOYSA-N -1 3 349.394 2.913 20 30 EFEDHM Cc1ccc([O-])c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000338174849 475650906 /nfs/dbraw/zinc/65/09/06/475650906.db2.gz VNQCHIZRPGWGNU-UHFFFAOYSA-N -1 3 339.370 2.674 20 30 EFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]CC1CCCC1 ZINC000340044652 475712369 /nfs/dbraw/zinc/71/23/69/475712369.db2.gz MCLGOMSJRSZBSI-UHFFFAOYSA-N -1 3 343.246 2.789 20 30 EFEDHM COc1cnc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)nc1 ZINC000340073922 475738210 /nfs/dbraw/zinc/73/82/10/475738210.db2.gz GZYKSDKUABVCGG-LLVKDONJSA-N -1 3 328.397 2.989 20 30 EFEDHM Cc1sc(C[N-]S(=O)(=O)c2ccc(C#N)cc2)nc1C(C)C ZINC000348650566 475800580 /nfs/dbraw/zinc/80/05/80/475800580.db2.gz YOKYYYZFJQDHOD-UHFFFAOYSA-N -1 3 335.454 2.925 20 30 EFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-][C@@](C)(C1CC1)C(F)(F)F ZINC000358799562 475949143 /nfs/dbraw/zinc/94/91/43/475949143.db2.gz MYFZRVXJDYQADU-ZDUSSCGKSA-N -1 3 332.347 2.876 20 30 EFEDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000362093684 475995698 /nfs/dbraw/zinc/99/56/98/475995698.db2.gz KHKWSVDVWDSPHB-ZETCQYMHSA-N -1 3 326.727 2.831 20 30 EFEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C ZINC000349970568 476026335 /nfs/dbraw/zinc/02/63/35/476026335.db2.gz IYKZDFKPZJZEQV-NSHDSACASA-N -1 3 329.805 2.610 20 30 EFEDHM CCCN(CC#N)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000347029438 476047230 /nfs/dbraw/zinc/04/72/30/476047230.db2.gz WOSXYIKGBXARML-UHFFFAOYSA-N -1 3 348.200 2.666 20 30 EFEDHM CCCN(CC#N)C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000347029438 476047238 /nfs/dbraw/zinc/04/72/38/476047238.db2.gz WOSXYIKGBXARML-UHFFFAOYSA-N -1 3 348.200 2.666 20 30 EFEDHM COC(=O)c1cnc(C(=O)[N-]c2ccccc2SCCC#N)cn1 ZINC000355840757 476064888 /nfs/dbraw/zinc/06/48/88/476064888.db2.gz WIPBRVRKHMTIAQ-UHFFFAOYSA-N -1 3 342.380 2.521 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(F)cc1F ZINC000298375527 476072220 /nfs/dbraw/zinc/07/22/20/476072220.db2.gz NKDGUTUQZRYJAP-UHFFFAOYSA-N -1 3 345.349 2.803 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCCCN(C)c2ccccc2)c1[O-] ZINC000299161533 476137398 /nfs/dbraw/zinc/13/73/98/476137398.db2.gz LIQWMXCVCZQKPM-DEDYPNTBSA-N -1 3 327.428 2.923 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000356868003 476140750 /nfs/dbraw/zinc/14/07/50/476140750.db2.gz XQYDNTQWQRPGPW-UHFFFAOYSA-N -1 3 337.305 2.555 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000356868003 476140758 /nfs/dbraw/zinc/14/07/58/476140758.db2.gz XQYDNTQWQRPGPW-UHFFFAOYSA-N -1 3 337.305 2.555 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000356868003 476140767 /nfs/dbraw/zinc/14/07/67/476140767.db2.gz XQYDNTQWQRPGPW-UHFFFAOYSA-N -1 3 337.305 2.555 20 30 EFEDHM N#CC1(c2ccc(C(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000347168692 476144961 /nfs/dbraw/zinc/14/49/61/476144961.db2.gz NZSCVJKUGRGJLM-UHFFFAOYSA-N -1 3 330.351 2.674 20 30 EFEDHM N#CC1(c2ccc(C(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2)CC1 ZINC000347168692 476144971 /nfs/dbraw/zinc/14/49/71/476144971.db2.gz NZSCVJKUGRGJLM-UHFFFAOYSA-N -1 3 330.351 2.674 20 30 EFEDHM CC1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCCC1 ZINC000344311091 476239205 /nfs/dbraw/zinc/23/92/05/476239205.db2.gz XEYMOYWBDPSZNC-UHFFFAOYSA-N -1 3 343.246 2.932 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)ncn4C)nc1-2 ZINC000347311423 476251701 /nfs/dbraw/zinc/25/17/01/476251701.db2.gz PNFPFBLBYUGZJK-LBPRGKRZSA-N -1 3 330.351 2.643 20 30 EFEDHM C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1cccc(C#N)c1 ZINC000362508538 476289596 /nfs/dbraw/zinc/28/95/96/476289596.db2.gz YOQAEYUDGMTEGF-GFCCVEGCSA-N -1 3 343.408 2.672 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccoc3)no2)ccc1F ZINC000350843884 476305817 /nfs/dbraw/zinc/30/58/17/476305817.db2.gz VCJOMFOVKWSMJZ-UHFFFAOYSA-N -1 3 349.343 2.600 20 30 EFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000351181109 476352931 /nfs/dbraw/zinc/35/29/31/476352931.db2.gz WMLGJBIANHHKKH-GFCCVEGCSA-N -1 3 336.841 2.793 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000373736935 476423001 /nfs/dbraw/zinc/42/30/01/476423001.db2.gz PXQMXVKAOCFYCB-ACJLOTCBSA-N -1 3 340.427 2.622 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000373736936 476424159 /nfs/dbraw/zinc/42/41/59/476424159.db2.gz PXQMXVKAOCFYCB-FZKQIMNGSA-N -1 3 340.427 2.622 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000369533896 476424641 /nfs/dbraw/zinc/42/46/41/476424641.db2.gz WPRBLRXLVWCMNW-UHFFFAOYSA-N -1 3 332.367 2.920 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000369533896 476424645 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C=CCCCN(C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000429970708 476727635 /nfs/dbraw/zinc/72/76/35/476727635.db2.gz JZGWFTYGNRCHKU-UHFFFAOYSA-N -1 3 337.221 2.949 20 30 EFEDHM C=CCC[C@H]([N-]S(=O)(=O)C[C@H](C)c1ccccc1)C(=O)OCC ZINC000452000652 476769599 /nfs/dbraw/zinc/76/95/99/476769599.db2.gz VRBMBRKRKJYHQJ-HOCLYGCPSA-N -1 3 339.457 2.607 20 30 EFEDHM C=CCC[C@H]([N-]S(=O)(=O)C[C@@H](C)c1ccccc1)C(=O)OCC ZINC000452000653 476769988 /nfs/dbraw/zinc/76/99/88/476769988.db2.gz VRBMBRKRKJYHQJ-ZBFHGGJFSA-N -1 3 339.457 2.607 20 30 EFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000452041205 476790737 /nfs/dbraw/zinc/79/07/37/476790737.db2.gz LUUYBQPPRWLHGI-LBPRGKRZSA-N -1 3 347.864 2.998 20 30 EFEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000452040683 476790807 /nfs/dbraw/zinc/79/08/07/476790807.db2.gz KILIIIJRIJUNRB-UHFFFAOYSA-N -1 3 349.206 2.602 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1nc(-c2ccc(OC)cc2)no1 ZINC000370472957 476826958 /nfs/dbraw/zinc/82/69/58/476826958.db2.gz 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CC(C)n1cnc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416667768 477255585 /nfs/dbraw/zinc/25/55/85/477255585.db2.gz ZDTUCAFDLXNOHQ-INIZCTEOSA-N -1 3 344.440 2.692 20 30 EFEDHM CN(C)CCN(Cc1ccsc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000458213921 477324039 /nfs/dbraw/zinc/32/40/39/477324039.db2.gz CWLREEBWBOROPB-UHFFFAOYSA-N -1 3 329.425 2.529 20 30 EFEDHM C=C[C@H](C)NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554391 477512498 /nfs/dbraw/zinc/51/24/98/477512498.db2.gz HDSCQTIWMNKNLN-KSSFIOAISA-N -1 3 338.407 2.944 20 30 EFEDHM N#Cc1cnc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c(F)c1 ZINC000413108867 477523202 /nfs/dbraw/zinc/52/32/02/477523202.db2.gz RRBCULZFFLSYBE-UHFFFAOYSA-N -1 3 340.358 2.515 20 30 EFEDHM C[C@H](c1nc(-c2ccc([O-])c3ccccc23)no1)n1cnc(C#N)n1 ZINC000436605146 477531590 /nfs/dbraw/zinc/53/15/90/477531590.db2.gz BECCMXUTNCGFSJ-SNVBAGLBSA-N -1 3 332.323 2.668 20 30 EFEDHM Cc1cc(=NC(=O)c2cc(C(C)C)c([O-])cc2C)[nH]n1CCC#N ZINC000436644220 477542046 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N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc([O-])c3)C2)c(F)c1 ZINC000367962239 477773375 /nfs/dbraw/zinc/77/33/75/477773375.db2.gz HUNFIKZORJWMIK-HNNXBMFYSA-N -1 3 339.370 2.802 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000428229580 477844800 /nfs/dbraw/zinc/84/48/00/477844800.db2.gz NISDWMCTBCFUND-UHFFFAOYSA-N -1 3 329.406 2.646 20 30 EFEDHM CC(C)COC[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccco1 ZINC000451149000 477846757 /nfs/dbraw/zinc/84/67/57/477846757.db2.gz XSFVLPOUHDNPDF-AWEZNQCLSA-N -1 3 340.445 2.607 20 30 EFEDHM CC(C)[C@H](CO)O[N-]C(=O)/C=C/c1cn(CCC#N)c2ccccc12 ZINC000493828794 477847977 /nfs/dbraw/zinc/84/79/77/477847977.db2.gz VYRKPFUPACORPW-BLGFXRMMSA-N -1 3 341.411 2.633 20 30 EFEDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428249601 477851473 /nfs/dbraw/zinc/85/14/73/477851473.db2.gz VXKDERLUEPPTAV-UHFFFAOYSA-N -1 3 329.425 2.518 20 30 EFEDHM C=CCc1cc(OCC)cc(CN2CCO[C@H](COCC)C2)c1[O-] ZINC000530104010 477877414 /nfs/dbraw/zinc/87/74/14/477877414.db2.gz 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ZINC000482187973 478026955 /nfs/dbraw/zinc/02/69/55/478026955.db2.gz PZJLUFDAKPAKQY-LLVKDONJSA-N -1 3 337.221 2.995 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1cnc(C2CC2)o1 ZINC000560311009 478042177 /nfs/dbraw/zinc/04/21/77/478042177.db2.gz WTVLJPVMWMFQJH-UHFFFAOYSA-N -1 3 337.788 2.556 20 30 EFEDHM N#C[C@H]1N(C(=O)Cc2ccc([O-])c(F)c2)CCC[C@]12CCCCO2 ZINC000451520140 478063233 /nfs/dbraw/zinc/06/32/33/478063233.db2.gz ATQXPNYXGDVQBW-SJLPKXTDSA-N -1 3 332.375 2.528 20 30 EFEDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)CC(C)(C)CC#N ZINC000451558997 478094572 /nfs/dbraw/zinc/09/45/72/478094572.db2.gz DVJNARZPWHKKFJ-QMTHXVAHSA-N -1 3 326.393 2.507 20 30 EFEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)[nH]1 ZINC000429594055 478161522 /nfs/dbraw/zinc/16/15/22/478161522.db2.gz WSWLOAMEGBTQRR-VIFPVBQESA-N -1 3 337.257 2.705 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000429640116 478167075 /nfs/dbraw/zinc/16/70/75/478167075.db2.gz LSXPKCPZGZVUNX-UHFFFAOYSA-N -1 3 336.342 2.664 20 30 EFEDHM CC1CC(C#N)(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000534755281 478171802 /nfs/dbraw/zinc/17/18/02/478171802.db2.gz KNNDFUHHCPZIOJ-UHFFFAOYSA-N -1 3 341.411 2.509 20 30 EFEDHM CC(C)OCc1ccccc1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561476506 478188940 /nfs/dbraw/zinc/18/89/40/478188940.db2.gz DZGCHLMHQYYRJS-UHFFFAOYSA-N -1 3 334.397 2.555 20 30 EFEDHM C=C[C@@H]1CCCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000489518987 478254185 /nfs/dbraw/zinc/25/41/85/478254185.db2.gz WPUXATWOBMPPLO-LLVKDONJSA-N -1 3 347.440 2.620 20 30 EFEDHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000489706656 478264981 /nfs/dbraw/zinc/26/49/81/478264981.db2.gz OHJPNMMZZDJNLU-ZDUSSCGKSA-N -1 3 349.811 2.579 20 30 EFEDHM COc1ccccc1-c1cc(=NC(=O)[C@@]2(C#N)CC23CCCC3)[nH][n-]1 ZINC000590665472 478280808 /nfs/dbraw/zinc/28/08/08/478280808.db2.gz QGJQMQIELASPRE-IBGZPJMESA-N -1 3 336.395 2.920 20 30 EFEDHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000537418791 478301755 /nfs/dbraw/zinc/30/17/55/478301755.db2.gz KEOAJHDXNPYVAM-UHFFFAOYSA-N -1 3 338.367 2.702 20 30 EFEDHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000537418791 478301762 /nfs/dbraw/zinc/30/17/62/478301762.db2.gz KEOAJHDXNPYVAM-UHFFFAOYSA-N -1 3 338.367 2.702 20 30 EFEDHM C=CCOCCN(CC(=O)[O-])Cc1cccc(Br)c1 ZINC000520417693 478309344 /nfs/dbraw/zinc/30/93/44/478309344.db2.gz BIBCYTAFVHAAKR-UHFFFAOYSA-N -1 3 328.206 2.538 20 30 EFEDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)OC ZINC000490552741 478350026 /nfs/dbraw/zinc/35/00/26/478350026.db2.gz WPWRQJOYZCQWJD-UHFFFAOYSA-N -1 3 330.837 2.695 20 30 EFEDHM C#CCN(CC#CC)C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000490679603 478370676 /nfs/dbraw/zinc/37/06/76/478370676.db2.gz TXDBYOXQFCSLMI-UHFFFAOYSA-N -1 3 334.379 2.648 20 30 EFEDHM C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000590874705 478379737 /nfs/dbraw/zinc/37/97/37/478379737.db2.gz HFPYGOSDYVDWNI-INIZCTEOSA-N -1 3 349.434 2.858 20 30 EFEDHM C#CCN(Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CCCC1 ZINC000490840538 478391823 /nfs/dbraw/zinc/39/18/23/478391823.db2.gz OOODGYCMFZYUQL-UHFFFAOYSA-N -1 3 347.422 2.899 20 30 EFEDHM CN(C)CCN(Cc1ccsc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000590920357 478398051 /nfs/dbraw/zinc/39/80/51/478398051.db2.gz GTRWSQICDMDVAO-UHFFFAOYSA-N -1 3 329.425 2.529 20 30 EFEDHM COc1cccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1F ZINC000594579043 478445831 /nfs/dbraw/zinc/44/58/31/478445831.db2.gz YCVZQRBQKSOTSH-LBPRGKRZSA-N -1 3 326.393 2.585 20 30 EFEDHM CC1CC(C#N)(C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)C1 ZINC000597680358 478460095 /nfs/dbraw/zinc/46/00/95/478460095.db2.gz NEQIFMDFEDPHSS-UHFFFAOYSA-N -1 3 332.367 2.898 20 30 EFEDHM CC1CC(C#N)(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)C1 ZINC000597680358 478460101 /nfs/dbraw/zinc/46/01/01/478460101.db2.gz NEQIFMDFEDPHSS-UHFFFAOYSA-N -1 3 332.367 2.898 20 30 EFEDHM CC1CC(C#N)(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)C1 ZINC000597680358 478460105 /nfs/dbraw/zinc/46/01/05/478460105.db2.gz NEQIFMDFEDPHSS-UHFFFAOYSA-N -1 3 332.367 2.898 20 30 EFEDHM CN1CCN(CCOc2ccc(-c3cc(C#N)ccc3[O-])cc2)CC1 ZINC000600779412 478517857 /nfs/dbraw/zinc/51/78/57/478517857.db2.gz UUOOUFYZTPWDND-UHFFFAOYSA-N -1 3 337.423 2.557 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1 ZINC000591324425 478523084 /nfs/dbraw/zinc/52/30/84/478523084.db2.gz HDHVSDFDCZZCHL-VIFPVBQESA-N -1 3 343.246 2.645 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1 ZINC000591324424 478523948 /nfs/dbraw/zinc/52/39/48/478523948.db2.gz HDHVSDFDCZZCHL-SECBINFHSA-N -1 3 343.246 2.645 20 30 EFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ccc(C)nn2)cc1 ZINC000591339008 478527372 /nfs/dbraw/zinc/52/73/72/478527372.db2.gz SHEGJTFXNWNNIE-CQSZACIVSA-N -1 3 332.385 2.621 20 30 EFEDHM CC[C@H](CCO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594757544 478533274 /nfs/dbraw/zinc/53/32/74/478533274.db2.gz HNFRAUCAHUNNRD-GFCCVEGCSA-N -1 3 338.454 2.521 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)C(C)(C)O ZINC000594763207 478534996 /nfs/dbraw/zinc/53/49/96/478534996.db2.gz XKEZTTDIKFQZSF-JTQLQIEISA-N -1 3 338.454 2.519 20 30 EFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000541212981 478541563 /nfs/dbraw/zinc/54/15/63/478541563.db2.gz YJXVAAWFWCKNDL-SSDOTTSWSA-N -1 3 337.626 2.540 20 30 EFEDHM COCc1csc(C[N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000594850185 478559976 /nfs/dbraw/zinc/55/99/76/478559976.db2.gz MIQKAGISEFOOOZ-UHFFFAOYSA-N -1 3 336.438 2.553 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)c(C)o2)CCCC1 ZINC000594863894 478565715 /nfs/dbraw/zinc/56/57/15/478565715.db2.gz JLNMIIRCNWDCSU-UHFFFAOYSA-N -1 3 327.402 2.542 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCC1 ZINC000563533436 478580958 /nfs/dbraw/zinc/58/09/58/478580958.db2.gz WJFNQFKINISZMW-UHFFFAOYSA-N -1 3 333.438 2.782 20 30 EFEDHM Cc1ccc([O-])c(C(=O)N2CCN(c3ccsc3C#N)CC2)c1 ZINC000597933422 478584147 /nfs/dbraw/zinc/58/41/47/478584147.db2.gz PNKZMCLKCYNTOK-UHFFFAOYSA-N -1 3 327.409 2.596 20 30 EFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000491588370 478596831 /nfs/dbraw/zinc/59/68/31/478596831.db2.gz HUXKUAUDXVCTJT-VXGBXAGGSA-N -1 3 345.848 2.608 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c(Cl)c1 ZINC000541868479 478602168 /nfs/dbraw/zinc/60/21/68/478602168.db2.gz XGXJVDQKCMSMKC-UHFFFAOYSA-N -1 3 348.811 2.625 20 30 EFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N1CCC(CC#N)CC1)c2=O ZINC000541975674 478618812 /nfs/dbraw/zinc/61/88/12/478618812.db2.gz QRDPKMRERXSKAY-UHFFFAOYSA-N -1 3 327.359 2.742 20 30 EFEDHM C#C[C@@H](C)N(C)Cn1[n-]c(-c2ccc(OC)cc2OC)nc1=S ZINC000491723309 478648841 /nfs/dbraw/zinc/64/88/41/478648841.db2.gz BMPNGHNYUKKFHO-LLVKDONJSA-N -1 3 332.429 2.536 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000564050123 478685776 /nfs/dbraw/zinc/68/57/76/478685776.db2.gz MXGMSNMZLVBNLP-MJGOQNOKSA-N -1 3 339.439 2.855 20 30 EFEDHM C[C@@H]1C(N=Nc2cn[n-]c(=O)c2Cl)CCN1C(=O)OC(C)(C)C ZINC000496879417 478704744 /nfs/dbraw/zinc/70/47/44/478704744.db2.gz AWVUFBXKTOGPAI-MRVPVSSYSA-N -1 3 341.799 2.633 20 30 EFEDHM COC(=O)Nc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1[O-] ZINC000491877752 478721107 /nfs/dbraw/zinc/72/11/07/478721107.db2.gz KKTHJZSNFFQLJC-UHFFFAOYSA-N -1 3 326.308 2.799 20 30 EFEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000572037882 478736765 /nfs/dbraw/zinc/73/67/65/478736765.db2.gz OGBUJWRZIPZYHV-UHFFFAOYSA-N -1 3 339.355 2.787 20 30 EFEDHM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000497301365 478749489 /nfs/dbraw/zinc/74/94/89/478749489.db2.gz QBCXBDJCCKRYNH-UHFFFAOYSA-N -1 3 349.343 2.676 20 30 EFEDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)s1 ZINC000601366994 478804368 /nfs/dbraw/zinc/80/43/68/478804368.db2.gz RNVYLSMDVOYTCM-SNVBAGLBSA-N -1 3 339.417 2.810 20 30 EFEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccc(F)cc2F)C1 ZINC000544406327 478833250 /nfs/dbraw/zinc/83/32/50/478833250.db2.gz GSILJYYIVRSSPA-NHYWBVRUSA-N -1 3 328.384 2.857 20 30 EFEDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000601442411 478834368 /nfs/dbraw/zinc/83/43/68/478834368.db2.gz BOWZKHDSJOIHND-SECBINFHSA-N -1 3 339.417 2.756 20 30 EFEDHM N#CC(=C([O-])c1cc(Cl)c2c(c1)OCCCO2)c1ccncn1 ZINC000544815153 478868720 /nfs/dbraw/zinc/86/87/20/478868720.db2.gz ZXIDTYDKCKYFAJ-NSHDSACASA-N -1 3 329.743 2.781 20 30 EFEDHM COc1ccc(F)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000592382066 478875035 /nfs/dbraw/zinc/87/50/35/478875035.db2.gz FZAJDLORBZJKJF-XHDPSFHLSA-N -1 3 326.393 2.585 20 30 EFEDHM COC(=O)c1cccc2nc(NC(=O)C=Cc3ccc(C#N)cc3)[n-]c21 ZINC000492264321 478900581 /nfs/dbraw/zinc/90/05/81/478900581.db2.gz WFHJNJZBAGCTQE-MDZDMXLPSA-N -1 3 346.346 2.873 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3ccc(C#N)cc3)nc21 ZINC000492264321 478900590 /nfs/dbraw/zinc/90/05/90/478900590.db2.gz WFHJNJZBAGCTQE-MDZDMXLPSA-N -1 3 346.346 2.873 20 30 EFEDHM CCc1nc(-c2ccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)cc2)n[nH]1 ZINC000545327672 478925493 /nfs/dbraw/zinc/92/54/93/478925493.db2.gz JKTKXAFXATWHBO-HNNXBMFYSA-N -1 3 346.394 2.931 20 30 EFEDHM N#CC(=C([O-])c1ccccc1COC1CCOCC1)c1ccncn1 ZINC000545447430 478937118 /nfs/dbraw/zinc/93/71/18/478937118.db2.gz PNXRVZJHHGCJFM-QGZVFWFLSA-N -1 3 337.379 2.662 20 30 EFEDHM N#CCCCOc1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000572853842 478939249 /nfs/dbraw/zinc/93/92/49/478939249.db2.gz PTVCEWSCMXGJRH-UHFFFAOYSA-N -1 3 338.367 2.994 20 30 EFEDHM Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000601879014 479053896 /nfs/dbraw/zinc/05/38/96/479053896.db2.gz FJLIGBMKKDUYSD-SFHVURJKSA-N -1 3 335.407 2.577 20 30 EFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(C)sn3)sc2C1 ZINC000598891792 479075868 /nfs/dbraw/zinc/07/58/68/479075868.db2.gz TUVHBJZNFDVYAE-UHFFFAOYSA-N -1 3 346.437 2.542 20 30 EFEDHM COC(=O)c1cncc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c1 ZINC000546865224 479078678 /nfs/dbraw/zinc/07/86/78/479078678.db2.gz WEEOIUXGMXQMAD-ZDUSSCGKSA-N -1 3 334.335 2.543 20 30 EFEDHM COC(=O)c1cncc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000546865224 479078684 /nfs/dbraw/zinc/07/86/84/479078684.db2.gz WEEOIUXGMXQMAD-ZDUSSCGKSA-N -1 3 334.335 2.543 20 30 EFEDHM N#CC1(c2ccccn2)CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000567330215 479105297 /nfs/dbraw/zinc/10/52/97/479105297.db2.gz BULSDLSBHAYBCJ-UHFFFAOYSA-N -1 3 335.411 2.512 20 30 EFEDHM Cc1cccc([O-])c1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000598978296 479112163 /nfs/dbraw/zinc/11/21/63/479112163.db2.gz RZUAZNWKEHHMCG-UHFFFAOYSA-N -1 3 335.407 2.530 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(N4CCCC4)nc3)nc1-2 ZINC000547488908 479117541 /nfs/dbraw/zinc/11/75/41/479117541.db2.gz XBZVCZOBZRIIGA-AWEZNQCLSA-N -1 3 346.394 2.752 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000568959987 479132390 /nfs/dbraw/zinc/13/23/90/479132390.db2.gz BPSPVVDXPQLNMZ-ZBFHGGJFSA-N -1 3 340.383 2.623 20 30 EFEDHM CC(C)(C)OC(=O)NCCC=NNc1nc(=O)c2ccccc2[n-]1 ZINC000493754749 479146806 /nfs/dbraw/zinc/14/68/06/479146806.db2.gz IDHCYKZPASEZET-UHFFFAOYSA-N -1 3 331.376 2.648 20 30 EFEDHM C=CCN(Cc1ncccc1[O-])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000554856230 479161135 /nfs/dbraw/zinc/16/11/35/479161135.db2.gz MUPLNWVGTUHCMY-CQSZACIVSA-N -1 3 336.399 2.512 20 30 EFEDHM CCOC(=O)c1sc([N-]C(=O)c2cncc(F)c2)c(C#N)c1C ZINC000610728142 479169579 /nfs/dbraw/zinc/16/95/79/479169579.db2.gz JKMBFFXCNGXJQE-UHFFFAOYSA-N -1 3 333.344 2.891 20 30 EFEDHM N#CC(=C([O-])c1ccc(S(=O)(=O)CC2CC2)cc1)c1ccccn1 ZINC000556479914 479171370 /nfs/dbraw/zinc/17/13/70/479171370.db2.gz FVQOCNHRBYBOFF-INIZCTEOSA-N -1 3 340.404 2.755 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc2c(s1)CCC2 ZINC000574056495 479208870 /nfs/dbraw/zinc/20/88/70/479208870.db2.gz OMIZNUUAECOVBI-NSHDSACASA-N -1 3 339.486 2.696 20 30 EFEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C#N)CCc2ccccc2)n1 ZINC000602173901 479217636 /nfs/dbraw/zinc/21/76/36/479217636.db2.gz UZKZIFCFGXDPRB-HNNXBMFYSA-N -1 3 338.411 2.615 20 30 EFEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C4CC4)nn3)sc2C1 ZINC000602227881 479246315 /nfs/dbraw/zinc/24/63/15/479246315.db2.gz HKTUWURZOWRKJX-VIFPVBQESA-N -1 3 327.413 2.923 20 30 EFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000611113659 479284702 /nfs/dbraw/zinc/28/47/02/479284702.db2.gz CSIUVHZPWBIXTN-JTQLQIEISA-N -1 3 349.225 2.805 20 30 EFEDHM CCC(C#N)(CC)C(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C ZINC000602343782 479292750 /nfs/dbraw/zinc/29/27/50/479292750.db2.gz KISZOHCLFITRMF-UHFFFAOYSA-N -1 3 331.807 2.826 20 30 EFEDHM Cc1cccc([O-])c1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000599501857 479314769 /nfs/dbraw/zinc/31/47/69/479314769.db2.gz YVGKHYHUAGPZIS-KRWDZBQOSA-N -1 3 335.407 2.551 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cncc(F)c1 ZINC000611485238 479391006 /nfs/dbraw/zinc/39/10/06/479391006.db2.gz LMNMAHUIJYQCLC-NSHDSACASA-N -1 3 342.374 2.620 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CCC1 ZINC000588121031 479396195 /nfs/dbraw/zinc/39/61/95/479396195.db2.gz WMWVQIMLFUMRTL-VIFPVBQESA-N -1 3 343.246 2.788 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C1CCC1 ZINC000588121030 479396811 /nfs/dbraw/zinc/39/68/11/479396811.db2.gz WMWVQIMLFUMRTL-SECBINFHSA-N -1 3 343.246 2.788 20 30 EFEDHM Cc1[n-][nH]c(=NC(=O)c2cc(C#N)ccn2)c1-c1cccc(Cl)c1 ZINC000588620479 479422261 /nfs/dbraw/zinc/42/22/61/479422261.db2.gz ITUGWECVIMTFKH-UHFFFAOYSA-N -1 3 337.770 2.979 20 30 EFEDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000588906595 479456650 /nfs/dbraw/zinc/45/66/50/479456650.db2.gz PSHIEFBRYMLMTP-YVEFUNNKSA-N -1 3 328.393 2.553 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccc(O)c1 ZINC000604179604 479480047 /nfs/dbraw/zinc/48/00/47/479480047.db2.gz DQMKMXQBRWRUPH-UHFFFAOYSA-N -1 3 339.395 2.573 20 30 EFEDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589170367 479491187 /nfs/dbraw/zinc/49/11/87/479491187.db2.gz UZKPOLMTXJPGFP-RDTXWAMCSA-N -1 3 335.407 2.829 20 30 EFEDHM C=CCN(CC=C)[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)C(C)C ZINC000589168431 479491389 /nfs/dbraw/zinc/49/13/89/479491389.db2.gz IFMQRLQBCGBFTG-SFHVURJKSA-N -1 3 327.428 2.692 20 30 EFEDHM CCN(Cc1ccc(CN(C)C)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589176520 479492755 /nfs/dbraw/zinc/49/27/55/479492755.db2.gz IUTQJHHNWLZZNY-UHFFFAOYSA-N -1 3 337.423 2.988 20 30 EFEDHM C[C@@]1(NC(=O)c2cc([O-])cc(C#N)c2)CCN(Cc2ccccc2)C1 ZINC000593878697 479494297 /nfs/dbraw/zinc/49/42/97/479494297.db2.gz GQPNIUSXWNZDTC-HXUWFJFHSA-N -1 3 335.407 2.658 20 30 EFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000618606640 479513333 /nfs/dbraw/zinc/51/33/33/479513333.db2.gz RNSFRKOAIMECLY-GFCCVEGCSA-N -1 3 336.335 2.553 20 30 EFEDHM CCOC(=O)c1sc([N-]C(=O)c2ccc(F)cn2)c(C#N)c1C ZINC000611999417 479544908 /nfs/dbraw/zinc/54/49/08/479544908.db2.gz OUAFRERZMBRHLJ-UHFFFAOYSA-N -1 3 333.344 2.891 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1cccc(F)c1F ZINC000618716289 479563574 /nfs/dbraw/zinc/56/35/74/479563574.db2.gz OMTRAOVKJZMLSF-AWEZNQCLSA-N -1 3 334.347 2.802 20 30 EFEDHM C[C@@H]1[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)CCN1Cc1ccccc1 ZINC000589941629 479583831 /nfs/dbraw/zinc/58/38/31/479583831.db2.gz ZFPKRFGMJAYRKL-KUHUBIRLSA-N -1 3 335.407 2.657 20 30 EFEDHM COc1cc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc(OC)c1[O-] ZINC000618892881 479626388 /nfs/dbraw/zinc/62/63/88/479626388.db2.gz RWKIZRURBZMGHQ-HNNXBMFYSA-N -1 3 338.363 2.698 20 30 EFEDHM N#Cc1cc(Cl)c(C(=O)N2CCc3c(=O)[n-]cnc3C2)c(Cl)c1 ZINC000612319753 479642288 /nfs/dbraw/zinc/64/22/88/479642288.db2.gz QXDCWTZJASWYAY-UHFFFAOYSA-N -1 3 349.177 2.559 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C2CC2)CC1 ZINC000590430596 479646720 /nfs/dbraw/zinc/64/67/20/479646720.db2.gz VEIQBNKQZUFHOE-UHFFFAOYSA-N -1 3 327.428 2.857 20 30 EFEDHM C=CCN(Cc1ccccc1)C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000579016023 479649909 /nfs/dbraw/zinc/64/99/09/479649909.db2.gz LJBZNIMXZMYJKG-SFHVURJKSA-N -1 3 341.407 2.813 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(Cc2cccc(F)c2)CCC1 ZINC000579070187 479655267 /nfs/dbraw/zinc/65/52/67/479655267.db2.gz DTVCVHSZNXFDHY-UHFFFAOYSA-N -1 3 345.399 2.536 20 30 EFEDHM N#C[C@@]1(NC(=O)CCc2ccc3ccccc3c2[O-])CCSC1 ZINC000590627643 479672921 /nfs/dbraw/zinc/67/29/21/479672921.db2.gz FNMHMYWUUZWQGQ-SFHVURJKSA-N -1 3 326.421 2.993 20 30 EFEDHM COc1ccc(CN2CC[C@](F)(C#N)C2)c(Br)c1[O-] ZINC000615651287 479726631 /nfs/dbraw/zinc/72/66/31/479726631.db2.gz RNOUTGCYMNAFTI-ZDUSSCGKSA-N -1 3 329.169 2.601 20 30 EFEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000619461159 479799999 /nfs/dbraw/zinc/79/99/99/479799999.db2.gz KHUJUEURJKDDQS-UHFFFAOYSA-N -1 3 326.299 2.971 20 30 EFEDHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1F ZINC000619463393 479801061 /nfs/dbraw/zinc/80/10/61/479801061.db2.gz TZFXTJZATRDXSK-UHFFFAOYSA-N -1 3 338.335 2.840 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc2[nH]ncc21 ZINC000619463506 479801560 /nfs/dbraw/zinc/80/15/60/479801560.db2.gz KVOSVQGFHKSHOZ-UHFFFAOYSA-N -1 3 326.381 2.738 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)s1 ZINC000619547241 479824584 /nfs/dbraw/zinc/82/45/84/479824584.db2.gz PDRGCFAHYVZQTN-UHFFFAOYSA-N -1 3 347.465 2.698 20 30 EFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccccc2CC#N)C2CC2)s1 ZINC000619572694 479831786 /nfs/dbraw/zinc/83/17/86/479831786.db2.gz PLDUFAOMYHXXBC-HNNXBMFYSA-N -1 3 347.465 2.947 20 30 EFEDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccccc2CC#N)o1 ZINC000619572499 479832417 /nfs/dbraw/zinc/83/24/17/479832417.db2.gz GVYCJLYIBLAKAN-OAHLLOKOSA-N -1 3 348.424 2.574 20 30 EFEDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccccc2CC#N)o1 ZINC000619572498 479832462 /nfs/dbraw/zinc/83/24/62/479832462.db2.gz GVYCJLYIBLAKAN-HNNXBMFYSA-N -1 3 348.424 2.574 20 30 EFEDHM CCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccn1 ZINC000610084823 480234803 /nfs/dbraw/zinc/23/48/03/480234803.db2.gz ODSBZBWHYKNVDQ-HNNXBMFYSA-N -1 3 333.388 2.912 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c(F)c1 ZINC000610082833 480235590 /nfs/dbraw/zinc/23/55/90/480235590.db2.gz KSMICCJUYJPVMP-UHFFFAOYSA-N -1 3 330.340 2.922 20 30 EFEDHM CCc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000610088761 480236676 /nfs/dbraw/zinc/23/66/76/480236676.db2.gz FGYYOEPRXDYWLQ-UHFFFAOYSA-N -1 3 332.400 2.781 20 30 EFEDHM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000610136487 480242153 /nfs/dbraw/zinc/24/21/53/480242153.db2.gz WWBKWBCIRNMSTF-UHFFFAOYSA-N -1 3 332.400 2.835 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(C#N)c1 ZINC000610339012 480282330 /nfs/dbraw/zinc/28/23/30/480282330.db2.gz HHBHTFIBMGDRCJ-JTQLQIEISA-N -1 3 349.343 2.645 20 30 EFEDHM CSc1ccncc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000610543986 480334315 /nfs/dbraw/zinc/33/43/15/480334315.db2.gz KBALMJUKPWQGOR-UHFFFAOYSA-N -1 3 342.424 2.964 20 30 EFEDHM CC#CC[C@H](CO)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000645883602 480949663 /nfs/dbraw/zinc/94/96/63/480949663.db2.gz DFMLDOWXLRHXFK-GFCCVEGCSA-N -1 3 343.857 2.607 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431748 481541295 /nfs/dbraw/zinc/54/12/95/481541295.db2.gz CCOKROUYADETLP-LBPRGKRZSA-N -1 3 339.745 2.688 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000660142686 481784017 /nfs/dbraw/zinc/78/40/17/481784017.db2.gz BJWUVQHBRJZJAP-UHFFFAOYSA-N -1 3 342.852 2.714 20 30 EFEDHM CCn1c2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)ccc2[nH]c1=O ZINC000654969809 482112102 /nfs/dbraw/zinc/11/21/02/482112102.db2.gz IJHWXRMOUMLQJD-CYBMUJFWSA-N -1 3 335.367 2.659 20 30 EFEDHM CSC[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000129108199 533782279 /nfs/dbraw/zinc/78/22/79/533782279.db2.gz XEDAASMBSKUGNI-QMMMGPOBSA-N -1 3 338.376 2.607 20 30 EFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174612462 534047441 /nfs/dbraw/zinc/04/74/41/534047441.db2.gz XXYKZARHGFGUCH-HNNXBMFYSA-N -1 3 335.407 2.783 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000435590552 534323632 /nfs/dbraw/zinc/32/36/32/534323632.db2.gz ZZXLVZLIMCIZOA-HZMBPMFUSA-N -1 3 333.812 2.739 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000435601393 534324295 /nfs/dbraw/zinc/32/42/95/534324295.db2.gz MDBUFYIASBFBJJ-NHYWBVRUSA-N -1 3 331.384 2.533 20 30 EFEDHM CC(C)CCOCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160803148 519669082 /nfs/dbraw/zinc/66/90/82/519669082.db2.gz BEYBESVHFUXFRH-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM C=CC1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CC1 ZINC000330272625 534527934 /nfs/dbraw/zinc/52/79/34/534527934.db2.gz XVWCRYGEVNSWAB-GOSISDBHSA-N -1 3 327.384 2.824 20 30 EFEDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000231752077 524411792 /nfs/dbraw/zinc/41/17/92/524411792.db2.gz RBONAZBLCIBOTP-ZETCQYMHSA-N -1 3 326.727 2.831 20 30 EFEDHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000071916544 524963828 /nfs/dbraw/zinc/96/38/28/524963828.db2.gz NZDJNANDMCXTFZ-UHFFFAOYSA-N -1 3 346.408 2.582 20 30 EFEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)cc1C ZINC000060442907 525556957 /nfs/dbraw/zinc/55/69/57/525556957.db2.gz ZGUKLXIPDWLOMJ-UHFFFAOYSA-N -1 3 345.380 2.562 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc2ncccc2c1 ZINC000193029893 526563025 /nfs/dbraw/zinc/56/30/25/526563025.db2.gz DLLIPMZSBUNKQL-UHFFFAOYSA-N -1 3 341.367 2.724 20 30 EFEDHM C=CCNC(=O)[C@@H](C)N(CC)Cc1cc(Br)ccc1[O-] ZINC000174424961 526621197 /nfs/dbraw/zinc/62/11/97/526621197.db2.gz SBEQEFXCYWTFJQ-LLVKDONJSA-N -1 3 341.249 2.667 20 30 EFEDHM N#Cc1cccc(OC2CCN(C(=O)/C=C/c3cncc([O-])c3)CC2)c1 ZINC000181983927 526725761 /nfs/dbraw/zinc/72/57/61/526725761.db2.gz UMXCNNBSPFWKTO-SNAWJCMRSA-N -1 3 349.390 2.742 20 30 EFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccncc2Br)c1 ZINC000147583388 526732408 /nfs/dbraw/zinc/73/24/08/526732408.db2.gz SJFVWFSQEAXKES-UHFFFAOYSA-N -1 3 338.186 2.517 20 30 EFEDHM CC[C@H]1CCC[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000129359609 529230408 /nfs/dbraw/zinc/23/04/08/529230408.db2.gz FBXDWDYWROJGJZ-GJZGRUSLSA-N -1 3 329.444 2.881 20 30 EFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427805538 535128909 /nfs/dbraw/zinc/12/89/09/535128909.db2.gz ZNYBZVXMLMWBFF-MRVPVSSYSA-N -1 3 340.298 2.551 20 30 EFEDHM CCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428405844 535245790 /nfs/dbraw/zinc/24/57/90/535245790.db2.gz YEZPZWUQGPELCW-UHFFFAOYSA-N -1 3 345.424 2.529 20 30 EFEDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CCCC1 ZINC000435423136 535487214 /nfs/dbraw/zinc/48/72/14/535487214.db2.gz RXUNBJDHVVYOSO-UHFFFAOYSA-N -1 3 342.486 2.885 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(F)cc1F ZINC000344551806 535806987 /nfs/dbraw/zinc/80/69/87/535806987.db2.gz FLCXZCRKKPOCMJ-CYBMUJFWSA-N -1 3 326.324 2.859 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(C)cs1 ZINC000435433490 535807034 /nfs/dbraw/zinc/80/70/34/535807034.db2.gz SFXRSTPUHQCTOY-SNVBAGLBSA-N -1 3 327.456 2.814 20 30 EFEDHM CCc1ccnc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000435623684 536012621 /nfs/dbraw/zinc/01/26/21/536012621.db2.gz ALUWCRDARUEDFC-UHFFFAOYSA-N -1 3 335.816 2.648 20 30 EFEDHM CO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000358890179 536509918 /nfs/dbraw/zinc/50/99/18/536509918.db2.gz WTBHCNAOSLWAQJ-INIZCTEOSA-N -1 3 336.457 2.768 20 30 EFEDHM COC1(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)CCC(C)CC1 ZINC000360181422 536682508 /nfs/dbraw/zinc/68/25/08/536682508.db2.gz QOJANHFPTUBHFB-UHFFFAOYSA-N -1 3 342.505 2.975 20 30 EFEDHM COC(=O)c1ccc(F)c([N-]C(=O)c2ncc(C#N)cc2Cl)c1 ZINC000342612636 536720018 /nfs/dbraw/zinc/72/00/18/536720018.db2.gz VRGWACSBTAKDDN-UHFFFAOYSA-N -1 3 333.706 2.785 20 30 EFEDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000435431287 537012899 /nfs/dbraw/zinc/01/28/99/537012899.db2.gz CMJJVKXENVIUPD-UHFFFAOYSA-N -1 3 348.449 2.638 20 30 EFEDHM COc1cccc(C(=O)[N-]c2nn(C(C)C)cc2C#N)c1[N+](=O)[O-] ZINC000194545916 537088655 /nfs/dbraw/zinc/08/86/55/537088655.db2.gz DFWOGKHQZOHQAG-UHFFFAOYSA-N -1 3 329.316 2.505 20 30 EFEDHM C=CCCn1cc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)nn1 ZINC000656769674 546918331 /nfs/dbraw/zinc/91/83/31/546918331.db2.gz GSAFREAFNQRHMB-HNNXBMFYSA-N -1 3 338.371 2.526 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2cccc(CN3CCOCC3)c2)n1 ZINC000672579908 547769922 /nfs/dbraw/zinc/76/99/22/547769922.db2.gz NUBTXIRINDGGPE-INIZCTEOSA-N -1 3 341.436 2.774 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4[nH]c(=O)oc4c3)nc1-2 ZINC000674300029 548059268 /nfs/dbraw/zinc/05/92/68/548059268.db2.gz WSIITNDLWPNTKD-SNVBAGLBSA-N -1 3 333.307 2.603 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000678845294 549001865 /nfs/dbraw/zinc/00/18/65/549001865.db2.gz JYGCBEWXCNEVLO-RYUDHWBXSA-N -1 3 344.502 2.968 20 30 EFEDHM N#CC(=C([O-])c1ccc(Cl)c(N2CCCC2=O)c1)c1ccncn1 ZINC000680618416 549359855 /nfs/dbraw/zinc/35/98/55/549359855.db2.gz QQHVFOFFKVOWAC-GFCCVEGCSA-N -1 3 340.770 2.747 20 30 EFEDHM CC#CCC[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000681268822 549497379 /nfs/dbraw/zinc/49/73/79/549497379.db2.gz NCSONUMHGAVOSP-UHFFFAOYSA-N -1 3 346.246 2.540 20 30 EFEDHM Cc1nc2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)cc2n1C ZINC000684631555 550069080 /nfs/dbraw/zinc/06/90/80/550069080.db2.gz SORQDTPYKBSTED-CQSZACIVSA-N -1 3 348.410 2.690 20 30 EFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000684920410 550112891 /nfs/dbraw/zinc/11/28/91/550112891.db2.gz OHPFGILKYDERGH-PWSUYJOCSA-N -1 3 330.475 2.578 20 30 EFEDHM Cc1ncc(CO)c(C=Nc2ccc3oc(N(C)C)nc3c2)c1[O-] ZINC000764414433 576455835 /nfs/dbraw/zinc/45/58/35/576455835.db2.gz SPKYQUYPBDDSRE-UHFFFAOYSA-N -1 3 326.356 2.546 20 30 EFEDHM CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(N2CCCC2)cc1[O-] ZINC000753929793 575360758 /nfs/dbraw/zinc/36/07/58/575360758.db2.gz SEJCYIGTVRNGPX-IRXDYDNUSA-N -1 3 341.459 2.576 20 30 EFEDHM CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(N2CCCC2)cc1[O-] ZINC000753929787 575360794 /nfs/dbraw/zinc/36/07/94/575360794.db2.gz SEJCYIGTVRNGPX-CALCHBBNSA-N -1 3 341.459 2.576 20 30 EFEDHM COc1cc(C(=O)OCc2ccc(C#N)cc2F)cc(OC)c1[O-] ZINC000754267608 575412647 /nfs/dbraw/zinc/41/26/47/575412647.db2.gz NEWKCJOJYHHRAM-UHFFFAOYSA-N -1 3 331.299 2.777 20 30 EFEDHM COc1cc(C(=O)OCc2ccc(OCC#N)cc2)cc(OC)c1[O-] ZINC000754271582 575413509 /nfs/dbraw/zinc/41/35/09/575413509.db2.gz KLWOCLKXCNKHGQ-UHFFFAOYSA-N -1 3 343.335 2.669 20 30 EFEDHM C#CCOc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000754425122 575434527 /nfs/dbraw/zinc/43/45/27/575434527.db2.gz QKKHKESPSYLJRR-UHFFFAOYSA-N -1 3 327.336 2.674 20 30 EFEDHM CCc1cccc2c1NC(=O)C2=N[N-]c1ccc(C(F)(F)F)nn1 ZINC000754711720 575475725 /nfs/dbraw/zinc/47/57/25/575475725.db2.gz WQAXXBNWCKWWKU-UHFFFAOYSA-N -1 3 335.289 2.826 20 30 EFEDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H](C#N)CC(C)C)cc1[N+](=O)[O-] ZINC000755441736 575586729 /nfs/dbraw/zinc/58/67/29/575586729.db2.gz IZXCPIIJBZMRKA-JTQLQIEISA-N -1 3 345.808 2.773 20 30 EFEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1ccc([O-])c(F)c1 ZINC000755518434 575594565 /nfs/dbraw/zinc/59/45/65/575594565.db2.gz BMRLOUGOUSOXNE-UHFFFAOYSA-N -1 3 344.371 2.969 20 30 EFEDHM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2cc(F)ccc2[O-])C1=O ZINC000755607561 575607620 /nfs/dbraw/zinc/60/76/20/575607620.db2.gz AKMVFIQMWUXEQO-GOSISDBHSA-N -1 3 341.342 2.723 20 30 EFEDHM Cc1ccnc(N=NC(C)c2ccc([O-])c(CN3CCOCC3)c2)c1 ZINC000755901906 575652392 /nfs/dbraw/zinc/65/23/92/575652392.db2.gz IJRWTTJJWLOQKV-UHFFFAOYSA-N -1 3 340.427 2.764 20 30 EFEDHM C=C(C)[C@H](C)OC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000756012434 575672081 /nfs/dbraw/zinc/67/20/81/575672081.db2.gz KNEOCNAHLGPOPO-JTQLQIEISA-N -1 3 343.383 2.516 20 30 EFEDHM C=C(C)[C@H](CC(=O)OCC(=O)[N-]c1cc(C(C)(C)C)no1)OCC ZINC000756477039 575745781 /nfs/dbraw/zinc/74/57/81/575745781.db2.gz MUZVNOBEBYMIQT-LBPRGKRZSA-N -1 3 338.404 2.825 20 30 EFEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)oc(=O)n3C)ccc1[O-] ZINC000756631274 575770655 /nfs/dbraw/zinc/77/06/55/575770655.db2.gz HDZDCDCKFLMKQC-QPJJXVBHSA-N -1 3 325.320 2.742 20 30 EFEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000756773372 575785772 /nfs/dbraw/zinc/78/57/72/575785772.db2.gz AANYMJHSABLBNG-FAPYRAKZSA-N -1 3 340.379 2.634 20 30 EFEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000756773376 575785801 /nfs/dbraw/zinc/78/58/01/575785801.db2.gz AANYMJHSABLBNG-MQMKENTISA-N -1 3 340.379 2.634 20 30 EFEDHM CC(=O)N1CC[C@H](/N=C\c2ccc(O)c([O-])c2O)c2ccccc21 ZINC000756845055 575791385 /nfs/dbraw/zinc/79/13/85/575791385.db2.gz AXBGNUFIGBGCLW-VAODSVERSA-N -1 3 326.352 2.720 20 30 EFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C(F)(F)c1c(F)cccc1F ZINC000756940320 575803692 /nfs/dbraw/zinc/80/36/92/575803692.db2.gz JWNRHBVIDUARRA-UHFFFAOYSA-N -1 3 342.174 2.832 20 30 EFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C(F)(F)c1c(F)cccc1F ZINC000756940320 575803693 /nfs/dbraw/zinc/80/36/93/575803693.db2.gz JWNRHBVIDUARRA-UHFFFAOYSA-N -1 3 342.174 2.832 20 30 EFEDHM COc1cc(C(=O)OCCCOc2ccc(C#N)cc2)ccc1[O-] ZINC000757097850 575822215 /nfs/dbraw/zinc/82/22/15/575822215.db2.gz UGSKDXRDVGJSRM-UHFFFAOYSA-N -1 3 327.336 2.898 20 30 EFEDHM Cc1cc(C)nc(N=NCc2cc(O)c([O-])c(Br)c2)n1 ZINC000757562285 575842619 /nfs/dbraw/zinc/84/26/19/575842619.db2.gz YPEPTEAGPVAGED-UHFFFAOYSA-N -1 3 337.177 2.713 20 30 EFEDHM CC(N=Nc1nc2ccccc2c(=O)[n-]1)c1ccc(-n2cncn2)cc1 ZINC000757590805 575843813 /nfs/dbraw/zinc/84/38/13/575843813.db2.gz SMLPWUIUHIWCGF-UHFFFAOYSA-N -1 3 345.366 2.752 20 30 EFEDHM C#CC[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 ZINC000757623756 575845867 /nfs/dbraw/zinc/84/58/67/575845867.db2.gz PXRUBBKYACDFOB-KRWDZBQOSA-N -1 3 342.420 2.553 20 30 EFEDHM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cccnc1C#N ZINC000758081508 575859553 /nfs/dbraw/zinc/85/95/53/575859553.db2.gz SSKFKTVTJIJKQS-NSHDSACASA-N -1 3 335.816 2.516 20 30 EFEDHM Cc1cc([O-])ccc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000758535238 575871869 /nfs/dbraw/zinc/87/18/69/575871869.db2.gz IAQHQBRVYKHXFK-UHFFFAOYSA-N -1 3 338.363 2.804 20 30 EFEDHM N#Cc1ccc(Cc2cnc(NC([O-])=NOCC(F)F)s2)cc1 ZINC000758816246 575877940 /nfs/dbraw/zinc/87/79/40/575877940.db2.gz YTQCLQRWGWXARR-UHFFFAOYSA-N -1 3 338.339 2.924 20 30 EFEDHM N#Cc1ccc(Cc2cnc(NC(=O)[N-]OCC(F)F)s2)cc1 ZINC000758816246 575877941 /nfs/dbraw/zinc/87/79/41/575877941.db2.gz YTQCLQRWGWXARR-UHFFFAOYSA-N -1 3 338.339 2.924 20 30 EFEDHM COc1cc(Cl)cc(C=NN2C(=O)c3ccccc3C2=O)c1[O-] ZINC000758868902 575879096 /nfs/dbraw/zinc/87/90/96/575879096.db2.gz LSMCGWJTTAXAST-UHFFFAOYSA-N -1 3 330.727 2.684 20 30 EFEDHM COc1cccc([O-])c1/C=N\C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000759034864 575883191 /nfs/dbraw/zinc/88/31/91/575883191.db2.gz HDMDDYKCNTYRAF-IXGURIBZSA-N -1 3 338.407 2.868 20 30 EFEDHM COc1cccc2c1CCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000759666068 575917621 /nfs/dbraw/zinc/91/76/21/575917621.db2.gz LGKFTUKOTZRJSL-UHFFFAOYSA-N -1 3 344.436 2.508 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnc(C2CCC2)s1 ZINC000760254941 575996098 /nfs/dbraw/zinc/99/60/98/575996098.db2.gz XJRMJNOMTKRORL-UHFFFAOYSA-N -1 3 335.454 2.864 20 30 EFEDHM C#CCSCCNCc1ccc(OC)c([O-])c1Br ZINC000760640505 576057083 /nfs/dbraw/zinc/05/70/83/576057083.db2.gz YUEFSPRPHNAWJC-UHFFFAOYSA-N -1 3 330.247 2.619 20 30 EFEDHM COc1ccc(CN=Nc2ccc(C)nn2)c(Br)c1[O-] ZINC000761012021 576100994 /nfs/dbraw/zinc/10/09/94/576100994.db2.gz MAMOPZYSBKXBGT-UHFFFAOYSA-N -1 3 337.177 2.708 20 30 EFEDHM COc1ccc(C=NNCCOC(C)C)c(Br)c1[O-] ZINC000761012660 576101088 /nfs/dbraw/zinc/10/10/88/576101088.db2.gz OEGZKRBKRIFMFE-UHFFFAOYSA-N -1 3 331.210 2.512 20 30 EFEDHM COC(=O)[C@H](CC(F)F)/N=C/c1cc(Br)ccc1[O-] ZINC000761181145 576126433 /nfs/dbraw/zinc/12/64/33/576126433.db2.gz OANCTFNRGFKIPG-SWEBQMAJSA-N -1 3 336.132 2.770 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762040450 576247927 /nfs/dbraw/zinc/24/79/27/576247927.db2.gz PSVDSHYTJPTFRX-HOTGVXAUSA-N -1 3 335.363 2.547 20 30 EFEDHM CCOc1ccc(C=Nc2ccc3c(c2)S(=O)(=O)CC3)c([O-])c1 ZINC000763096522 576361200 /nfs/dbraw/zinc/36/12/00/576361200.db2.gz JURDEOZJSBTJBQ-UHFFFAOYSA-N -1 3 331.393 2.871 20 30 EFEDHM CNC(=O)c1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000763105237 576361701 /nfs/dbraw/zinc/36/17/01/576361701.db2.gz JYMLDDAAKYKLDX-RMKNXTFCSA-N -1 3 341.363 2.665 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(N(C)C)c2)cc1 ZINC000763273954 576370598 /nfs/dbraw/zinc/37/05/98/576370598.db2.gz DQSUFFAJBHUZKM-MRXNPFEDSA-N -1 3 336.395 2.671 20 30 EFEDHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)CCO1 ZINC000763420272 576376757 /nfs/dbraw/zinc/37/67/57/576376757.db2.gz HCJCRSQFEBNBFR-XHDPSFHLSA-N -1 3 340.420 2.569 20 30 EFEDHM COc1ccnc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)c1 ZINC000764307238 576446979 /nfs/dbraw/zinc/44/69/79/576446979.db2.gz PODLTGYJJLFQBD-UHFFFAOYSA-N -1 3 332.703 2.776 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc3cc[nH]c3n2)cc1 ZINC000764755057 576498668 /nfs/dbraw/zinc/49/86/68/576498668.db2.gz CHUOWNZXSQMGLX-AWEZNQCLSA-N -1 3 334.335 2.533 20 30 EFEDHM CC(=NNCCOCC(F)(F)F)c1ccc(N2CCCC2)cc1[O-] ZINC000765594477 577057808 /nfs/dbraw/zinc/05/78/08/577057808.db2.gz ULHVYSIZILBJBI-UHFFFAOYSA-N -1 3 345.365 2.885 20 30 EFEDHM CCN(CC)c1ccc(C=NNCCOCC(F)(F)F)c([O-])c1 ZINC000765605180 577059167 /nfs/dbraw/zinc/05/91/67/577059167.db2.gz SPXKAZCAZVWDOV-UHFFFAOYSA-N -1 3 333.354 2.741 20 30 EFEDHM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)C1(C)C ZINC000766081968 577104978 /nfs/dbraw/zinc/10/49/78/577104978.db2.gz VYXUDQGOIDYHIC-HUUCEWRRSA-N -1 3 340.420 2.568 20 30 EFEDHM N#Cc1cccc(OCCCOC(=O)c2ccc3c(C=O)n[n-]c3c2)c1 ZINC000766186398 577118798 /nfs/dbraw/zinc/11/87/98/577118798.db2.gz ZGAFHTBTCSPHNC-UHFFFAOYSA-N -1 3 349.346 2.873 20 30 EFEDHM N#Cc1cccc(OCCCOC(=O)c2ccc3c(C=O)[n-]nc3c2)c1 ZINC000766186398 577118801 /nfs/dbraw/zinc/11/88/01/577118801.db2.gz ZGAFHTBTCSPHNC-UHFFFAOYSA-N -1 3 349.346 2.873 20 30 EFEDHM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1[O-] ZINC000767015114 577192290 /nfs/dbraw/zinc/19/22/90/577192290.db2.gz GTXJEWWPSBMRCG-UHFFFAOYSA-N -1 3 332.272 2.663 20 30 EFEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cnc(Cl)c(OC)c1 ZINC000767701896 577228627 /nfs/dbraw/zinc/22/86/27/577228627.db2.gz FEHSCZMSQHXKRV-UHFFFAOYSA-N -1 3 345.852 2.884 20 30 EFEDHM COc1cccc([C@H](C#N)NC(=O)c2ccc(C)cc2[O-])c1OC ZINC000768151014 577257850 /nfs/dbraw/zinc/25/78/50/577257850.db2.gz CNDHBOJUYMNBNA-AWEZNQCLSA-N -1 3 326.352 2.713 20 30 EFEDHM COc1cc(C=NNc2cc(C#N)cc(Cl)n2)c([N+](=O)[O-])cc1[O-] ZINC000768376178 577269765 /nfs/dbraw/zinc/26/97/65/577269765.db2.gz RGQMCXPLFQHDPA-UHFFFAOYSA-N -1 3 347.718 2.675 20 30 EFEDHM N#Cc1cc(Cl)nc([N-]N=C2CCN(Cc3ccccc3)C2=O)c1 ZINC000768377203 577270007 /nfs/dbraw/zinc/27/00/07/577270007.db2.gz YNQXMFWAISNBLJ-UHFFFAOYSA-N -1 3 339.786 2.807 20 30 EFEDHM CC1(C)c2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)ccc2NC1=O ZINC000768763475 577299677 /nfs/dbraw/zinc/29/96/77/577299677.db2.gz OICXSWGDFVHCPL-CQSZACIVSA-N -1 3 347.374 2.877 20 30 EFEDHM CCCCCCCC(=O)NCc1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000726167330 577354347 /nfs/dbraw/zinc/35/43/47/577354347.db2.gz IDRCJURMDZERET-LJQANCHMSA-N -1 3 345.443 2.718 20 30 EFEDHM COC(=O)N1CCC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000726428847 577364418 /nfs/dbraw/zinc/36/44/18/577364418.db2.gz HOPLQDPVWLYWMO-LUMBYOQCSA-N -1 3 341.205 2.804 20 30 EFEDHM COC(=O)N1CCC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000726428846 577364516 /nfs/dbraw/zinc/36/45/16/577364516.db2.gz HOPLQDPVWLYWMO-GGNJANJASA-N -1 3 341.205 2.804 20 30 EFEDHM CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1[O-] ZINC000726424725 577365402 /nfs/dbraw/zinc/36/54/02/577365402.db2.gz GBALHGUAXWATPF-UHFFFAOYSA-N -1 3 345.424 2.669 20 30 EFEDHM CCOc1cc(C=NNC(=S)NCCSC)cc(Cl)c1[O-] ZINC000769604276 577374688 /nfs/dbraw/zinc/37/46/88/577374688.db2.gz HRUNHRRXFHHSIF-UHFFFAOYSA-N -1 3 347.893 2.605 20 30 EFEDHM O=[N+]([O-])c1cccnc1N=NCc1cc([O-])ccc1Br ZINC000769820827 577387844 /nfs/dbraw/zinc/38/78/44/577387844.db2.gz OHMVFHHCEXMPGG-UHFFFAOYSA-N -1 3 337.133 2.904 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Nc2c(F)cccc2Cl)c(F)c1 ZINC000769893775 577392200 /nfs/dbraw/zinc/39/22/00/577392200.db2.gz OHMOYHNJVXXTDP-UHFFFAOYSA-N -1 3 343.742 2.795 20 30 EFEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000769914389 577393518 /nfs/dbraw/zinc/39/35/18/577393518.db2.gz YJTURQTVVWJZPR-UHFFFAOYSA-N -1 3 329.283 2.524 20 30 EFEDHM CN(C)c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1F ZINC000770112146 577402619 /nfs/dbraw/zinc/40/26/19/577402619.db2.gz ZQPQQCVHHVSTIL-CYBMUJFWSA-N -1 3 341.390 2.700 20 30 EFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000770392897 577414897 /nfs/dbraw/zinc/41/48/97/577414897.db2.gz ZYSYYJZETVDUMB-LLVKDONJSA-N -1 3 330.331 2.657 20 30 EFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000738363931 577418210 /nfs/dbraw/zinc/41/82/10/577418210.db2.gz OXWVCPSZKNASLB-JKSUJKDBSA-N -1 3 345.443 2.591 20 30 EFEDHM C#Cc1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)c1 ZINC000771838411 581249308 /nfs/dbraw/zinc/24/93/08/581249308.db2.gz BYFAXQMSIKNCGP-UHFFFAOYSA-N -1 3 340.766 2.996 20 30 EFEDHM C[C@@H](OC(=O)c1c([O-])cccc1F)C(=O)Nc1cccc(C#N)c1 ZINC000772590303 581344076 /nfs/dbraw/zinc/34/40/76/581344076.db2.gz BWGRJLVAMGTTJQ-SNVBAGLBSA-N -1 3 328.299 2.587 20 30 EFEDHM N#Cc1ccc(NC(=O)COC(=O)c2c([O-])cccc2F)cc1Cl ZINC000772591837 581344516 /nfs/dbraw/zinc/34/45/16/581344516.db2.gz KLJXULSTXUSWKS-UHFFFAOYSA-N -1 3 348.717 2.852 20 30 EFEDHM COc1c([O-])c(C=NNc2nc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC000772997412 581386644 /nfs/dbraw/zinc/38/66/44/581386644.db2.gz LUCDNRKALRVFQU-UHFFFAOYSA-N -1 3 327.300 2.631 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)[C@@H]1CCCO1 ZINC000773059320 581391775 /nfs/dbraw/zinc/39/17/75/581391775.db2.gz WEOAGKPHHZMVKT-NEPJUHHUSA-N -1 3 348.251 2.761 20 30 EFEDHM COc1c([O-])c(C=NNc2nccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000773090277 581395753 /nfs/dbraw/zinc/39/57/53/581395753.db2.gz FEWBGQZZADSXDZ-UHFFFAOYSA-N -1 3 331.332 2.668 20 30 EFEDHM COc1c([O-])c(CN=Nc2nccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000773090277 581395756 /nfs/dbraw/zinc/39/57/56/581395756.db2.gz FEWBGQZZADSXDZ-UHFFFAOYSA-N -1 3 331.332 2.668 20 30 EFEDHM CC(=NNc1ccccc1S(N)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000773113072 581397790 /nfs/dbraw/zinc/39/77/90/581397790.db2.gz CTQJUQFMKMCDLM-UHFFFAOYSA-N -1 3 339.804 2.529 20 30 EFEDHM C=CCCC[C@@H](C)OC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000773878421 581471718 /nfs/dbraw/zinc/47/17/18/581471718.db2.gz LUAXLOCVADEQEA-LLVKDONJSA-N -1 3 343.383 2.734 20 30 EFEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1F ZINC000774043378 581480046 /nfs/dbraw/zinc/48/00/46/581480046.db2.gz OXIRLVDLZYRGQU-AWEZNQCLSA-N -1 3 339.326 2.745 20 30 EFEDHM CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000774237127 581487793 /nfs/dbraw/zinc/48/77/93/581487793.db2.gz PZGDEDZVBSZCRO-UHFFFAOYSA-N -1 3 347.396 2.899 20 30 EFEDHM Cc1cc(F)ccc1NN=C1C(=O)[N-]c2c1cc([N+](=O)[O-])cc2F ZINC000774396180 581490812 /nfs/dbraw/zinc/49/08/12/581490812.db2.gz ZVODZTXMKRYXCN-UHFFFAOYSA-N -1 3 332.266 2.950 20 30 EFEDHM NC(=O)c1ccc(N=NCc2cc(Cl)c3ccccc3c2[O-])nn1 ZINC000774585760 581494724 /nfs/dbraw/zinc/49/47/24/581494724.db2.gz KXCLFGWNCUDBEF-UHFFFAOYSA-N -1 3 341.758 2.534 20 30 EFEDHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000774894168 581503411 /nfs/dbraw/zinc/50/34/11/581503411.db2.gz JCGWNWQHSIOBFK-CABCVRRESA-N -1 3 340.420 2.569 20 30 EFEDHM C#CC[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000735374943 598857130 /nfs/dbraw/zinc/85/71/30/598857130.db2.gz GQOGBKVADUADGF-QGZVFWFLSA-N -1 3 347.378 2.502 20 30 EFEDHM C#CC[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000735374943 598857132 /nfs/dbraw/zinc/85/71/32/598857132.db2.gz GQOGBKVADUADGF-QGZVFWFLSA-N -1 3 347.378 2.502 20 30 EFEDHM C=CCCCCCN(C)CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000735408520 598866101 /nfs/dbraw/zinc/86/61/01/598866101.db2.gz MYOFHTJYPCLQBY-UHFFFAOYSA-N -1 3 346.435 2.693 20 30 EFEDHM N#Cc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1-c1nnn[n-]1 ZINC000737719941 598914314 /nfs/dbraw/zinc/91/43/14/598914314.db2.gz YVAHAOAANISTCU-UHFFFAOYSA-N -1 3 344.378 2.799 20 30 EFEDHM N#Cc1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1-c1nn[n-]n1 ZINC000737719941 598914315 /nfs/dbraw/zinc/91/43/15/598914315.db2.gz YVAHAOAANISTCU-UHFFFAOYSA-N -1 3 344.378 2.799 20 30 EFEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735976294 598919362 /nfs/dbraw/zinc/91/93/62/598919362.db2.gz KTLTYPGWMUZGST-GFCCVEGCSA-N -1 3 332.367 2.871 20 30 EFEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000735976294 598919364 /nfs/dbraw/zinc/91/93/64/598919364.db2.gz KTLTYPGWMUZGST-GFCCVEGCSA-N -1 3 332.367 2.871 20 30 EFEDHM CCCCS[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736463426 598928208 /nfs/dbraw/zinc/92/82/08/598928208.db2.gz PJRYDWZFWMTIBE-JTQLQIEISA-N -1 3 330.417 2.599 20 30 EFEDHM CCCCS[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736463426 598928210 /nfs/dbraw/zinc/92/82/10/598928210.db2.gz PJRYDWZFWMTIBE-JTQLQIEISA-N -1 3 330.417 2.599 20 30 EFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)c(F)c(F)c1 ZINC000819772960 607253677 /nfs/dbraw/zinc/25/36/77/607253677.db2.gz NOXWDQBIIXXMKY-UHFFFAOYSA-N -1 3 346.316 2.798 20 30 EFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(F)c(F)c1 ZINC000819772960 607253678 /nfs/dbraw/zinc/25/36/78/607253678.db2.gz NOXWDQBIIXXMKY-UHFFFAOYSA-N -1 3 346.316 2.798 20 30 EFEDHM COc1ccc2c(c1)CCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821849765 607254470 /nfs/dbraw/zinc/25/44/70/607254470.db2.gz PQOZJMGLOBFAQS-UHFFFAOYSA-N -1 3 348.410 2.706 20 30 EFEDHM COc1ccc2c(c1)CCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821849765 607254471 /nfs/dbraw/zinc/25/44/71/607254471.db2.gz PQOZJMGLOBFAQS-UHFFFAOYSA-N -1 3 348.410 2.706 20 30 EFEDHM CCC1(CC)C(=NNCc2ccc(-c3nnn[n-]3)cc2)C[C@H]1OC ZINC000820958184 607254596 /nfs/dbraw/zinc/25/45/96/607254596.db2.gz SLRZUGNLGNYWQN-OAHLLOKOSA-N -1 3 328.420 2.537 20 30 EFEDHM CCC1(CC)C(=NNCc2ccc(-c3nn[n-]n3)cc2)C[C@H]1OC ZINC000820958184 607254597 /nfs/dbraw/zinc/25/45/97/607254597.db2.gz SLRZUGNLGNYWQN-OAHLLOKOSA-N -1 3 328.420 2.537 20 30 EFEDHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@@H](C#N)C2CCCCC2)n1 ZINC000737472281 599013090 /nfs/dbraw/zinc/01/30/90/599013090.db2.gz YMWCXAQKVSHKBE-LBPRGKRZSA-N -1 3 329.433 2.838 20 30 EFEDHM C=CC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000735409815 599034024 /nfs/dbraw/zinc/03/40/24/599034024.db2.gz LXOFQIRFUXVIHY-JJEJIETFSA-N -1 3 346.394 2.709 20 30 EFEDHM C=CC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000735409815 599034026 /nfs/dbraw/zinc/03/40/26/599034026.db2.gz LXOFQIRFUXVIHY-JJEJIETFSA-N -1 3 346.394 2.709 20 30 EFEDHM N#Cc1ccc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(F)c1 ZINC000822833235 599058147 /nfs/dbraw/zinc/05/81/47/599058147.db2.gz MORPZUYJPZBHMQ-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM N#Cc1ccc(Sc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c(F)c1 ZINC000822833235 599058150 /nfs/dbraw/zinc/05/81/50/599058150.db2.gz MORPZUYJPZBHMQ-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737083341 599068370 /nfs/dbraw/zinc/06/83/70/599068370.db2.gz QRIUJIZJORSLGH-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1ccco1 ZINC000735419325 599071257 /nfs/dbraw/zinc/07/12/57/599071257.db2.gz RSYFSAFVLOLJHV-CYBMUJFWSA-N -1 3 337.383 2.778 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1ccco1 ZINC000735419325 599071260 /nfs/dbraw/zinc/07/12/60/599071260.db2.gz RSYFSAFVLOLJHV-CYBMUJFWSA-N -1 3 337.383 2.778 20 30 EFEDHM COc1c(O)cccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821698772 599113480 /nfs/dbraw/zinc/11/34/80/599113480.db2.gz XXESEIRGSCIZQV-ZRDIBKRKSA-N -1 3 348.362 2.793 20 30 EFEDHM COc1c(O)cccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821698772 599113482 /nfs/dbraw/zinc/11/34/82/599113482.db2.gz XXESEIRGSCIZQV-ZRDIBKRKSA-N -1 3 348.362 2.793 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cncc3ccccc32)cc1-c1nnn[n-]1 ZINC000737718140 599200670 /nfs/dbraw/zinc/20/06/70/599200670.db2.gz FRSRYNHGZKXJBT-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cncc3ccccc32)cc1-c1nn[n-]n1 ZINC000737718140 599200672 /nfs/dbraw/zinc/20/06/72/599200672.db2.gz FRSRYNHGZKXJBT-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM C[C@@H](NC(=S)Nc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820404575 599238378 /nfs/dbraw/zinc/23/83/78/599238378.db2.gz YNRRLOQDNZYBCC-LLVKDONJSA-N -1 3 349.423 2.786 20 30 EFEDHM C[C@@H](NC(=S)Nc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820404575 599238380 /nfs/dbraw/zinc/23/83/80/599238380.db2.gz YNRRLOQDNZYBCC-LLVKDONJSA-N -1 3 349.423 2.786 20 30 EFEDHM C=CCC[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823894373 607779779 /nfs/dbraw/zinc/77/97/79/607779779.db2.gz OKWQWHQVENQOJK-WFASDCNBSA-N -1 3 342.399 2.922 20 30 EFEDHM C=CCC[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823894373 607779780 /nfs/dbraw/zinc/77/97/80/607779780.db2.gz OKWQWHQVENQOJK-WFASDCNBSA-N -1 3 342.399 2.922 20 30 EFEDHM CC(C)(C)CN(CCC#N)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735601994 598241682 /nfs/dbraw/zinc/24/16/82/598241682.db2.gz JGZVXPFQHSJACX-MDZDMXLPSA-N -1 3 338.415 2.668 20 30 EFEDHM CC(C)(C)CN(CCC#N)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735601994 598241684 /nfs/dbraw/zinc/24/16/84/598241684.db2.gz JGZVXPFQHSJACX-MDZDMXLPSA-N -1 3 338.415 2.668 20 30 EFEDHM CN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1F ZINC000736732635 598309414 /nfs/dbraw/zinc/30/94/14/598309414.db2.gz MYNHTNNNKFPMLP-VQHVLOKHSA-N -1 3 348.341 2.554 20 30 EFEDHM CN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nn[n-]n2)cc1F ZINC000736732635 598309416 /nfs/dbraw/zinc/30/94/16/598309416.db2.gz MYNHTNNNKFPMLP-VQHVLOKHSA-N -1 3 348.341 2.554 20 30 EFEDHM C#CCOc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735381762 598494454 /nfs/dbraw/zinc/49/44/54/598494454.db2.gz ZMTAYMZGQFWLPR-KHPPLWFESA-N -1 3 345.362 2.531 20 30 EFEDHM C#CCOc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735381762 598494455 /nfs/dbraw/zinc/49/44/55/598494455.db2.gz ZMTAYMZGQFWLPR-KHPPLWFESA-N -1 3 345.362 2.531 20 30 EFEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(F)cc2C#N)n1 ZINC000737471453 598644720 /nfs/dbraw/zinc/64/47/20/598644720.db2.gz QWWAAVZLVQKNRJ-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccc(F)cc2C#N)n1 ZINC000737471453 598644721 /nfs/dbraw/zinc/64/47/21/598644721.db2.gz QWWAAVZLVQKNRJ-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM C=CC1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819729552 599482536 /nfs/dbraw/zinc/48/25/36/599482536.db2.gz IYWOJMNPIFBMOS-GFCCVEGCSA-N -1 3 326.404 2.535 20 30 EFEDHM C=CC1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819729552 599482538 /nfs/dbraw/zinc/48/25/38/599482538.db2.gz IYWOJMNPIFBMOS-GFCCVEGCSA-N -1 3 326.404 2.535 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000735420294 599607850 /nfs/dbraw/zinc/60/78/50/599607850.db2.gz OFYPPCYNFKTGGW-ZDUSSCGKSA-N -1 3 343.431 2.585 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000735420294 599607852 /nfs/dbraw/zinc/60/78/52/599607852.db2.gz OFYPPCYNFKTGGW-ZDUSSCGKSA-N -1 3 343.431 2.585 20 30 EFEDHM C#C[C@@H](C)OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819689163 599625420 /nfs/dbraw/zinc/62/54/20/599625420.db2.gz WSWZUKVBFMRXEE-CYBMUJFWSA-N -1 3 348.362 2.624 20 30 EFEDHM CC(C)Oc1ccc(NC(=O)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820169598 607397339 /nfs/dbraw/zinc/39/73/39/607397339.db2.gz KAZNNUJVCBBSDO-UHFFFAOYSA-N -1 3 348.366 2.778 20 30 EFEDHM CC(C)Oc1ccc(NC(=O)c2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820169598 607397341 /nfs/dbraw/zinc/39/73/41/607397341.db2.gz KAZNNUJVCBBSDO-UHFFFAOYSA-N -1 3 348.366 2.778 20 30 EFEDHM COc1ccc2c(c1)CC(N=Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826212580 607783153 /nfs/dbraw/zinc/78/31/53/607783153.db2.gz UUBMVUPFIQCJAR-UHFFFAOYSA-N -1 3 334.383 2.832 20 30 EFEDHM COc1ccc2c(c1)CC(N=Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826212580 607783154 /nfs/dbraw/zinc/78/31/54/607783154.db2.gz UUBMVUPFIQCJAR-UHFFFAOYSA-N -1 3 334.383 2.832 20 30 EFEDHM C=CCN1CCC(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000736106580 599951465 /nfs/dbraw/zinc/95/14/65/599951465.db2.gz FNBLKRLSKRILPS-ZDUSSCGKSA-N -1 3 348.468 2.632 20 30 EFEDHM COc1cc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1 ZINC000737881471 600566518 /nfs/dbraw/zinc/56/65/18/600566518.db2.gz OITSWGYKASWDBX-SFHVURJKSA-N -1 3 340.379 2.833 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000822924125 607455509 /nfs/dbraw/zinc/45/55/09/607455509.db2.gz YBCLOLIHOOZVES-VMPITWQZSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000822924125 607455511 /nfs/dbraw/zinc/45/55/11/607455511.db2.gz YBCLOLIHOOZVES-VMPITWQZSA-N -1 3 339.286 2.810 20 30 EFEDHM CC(=O)Nc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736167896 600591982 /nfs/dbraw/zinc/59/19/82/600591982.db2.gz ODVNGXQGOWLSGX-KZULUSFZSA-N -1 3 337.379 2.993 20 30 EFEDHM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737204053 600593706 /nfs/dbraw/zinc/59/37/06/600593706.db2.gz QTDQWPJTGXOORW-GOSISDBHSA-N -1 3 340.379 2.881 20 30 EFEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000736663184 600597660 /nfs/dbraw/zinc/59/76/60/600597660.db2.gz WBRPVGSBLFARQP-BLVKFPJESA-N -1 3 349.390 2.554 20 30 EFEDHM COc1ccc2c(c1)OC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821849963 607459681 /nfs/dbraw/zinc/45/96/81/607459681.db2.gz UHUKAWGUUDBJMT-VIZOYTHASA-N -1 3 338.298 2.631 20 30 EFEDHM COc1ccc2c(c1)OC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821849963 607459682 /nfs/dbraw/zinc/45/96/82/607459682.db2.gz UHUKAWGUUDBJMT-VIZOYTHASA-N -1 3 338.298 2.631 20 30 EFEDHM CC(C)CN(CCC(=O)[O-])Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000826875580 600820689 /nfs/dbraw/zinc/82/06/89/600820689.db2.gz DIZUNPFGHUVZRR-UHFFFAOYSA-N -1 3 328.372 2.541 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833039218 601235748 /nfs/dbraw/zinc/23/57/48/601235748.db2.gz ZTBBFDSRNDTVHU-RWMBFGLXSA-N -1 3 325.368 2.641 20 30 EFEDHM Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832970395 601236604 /nfs/dbraw/zinc/23/66/04/601236604.db2.gz JAYMZHYPFGXKDG-VNHYZAJKSA-N -1 3 328.368 2.533 20 30 EFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833062965 601236961 /nfs/dbraw/zinc/23/69/61/601236961.db2.gz GANNGAJHQROLQU-GYSYKLTISA-N -1 3 348.786 2.878 20 30 EFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833062969 601236996 /nfs/dbraw/zinc/23/69/96/601236996.db2.gz GANNGAJHQROLQU-SUNKGSAMSA-N -1 3 348.786 2.878 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064591 601237095 /nfs/dbraw/zinc/23/70/95/601237095.db2.gz SSAGJKZMNGOKBV-SRVKXCTJSA-N -1 3 348.786 2.878 20 30 EFEDHM CC(=O)Nc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000825913370 601299376 /nfs/dbraw/zinc/29/93/76/601299376.db2.gz QMGXKROETWBAOO-KPZWWZAWSA-N -1 3 337.379 2.993 20 30 EFEDHM N#Cc1cccc([C@@H](NCc2ccc(Cn3cccn3)cc2)C(=O)[O-])c1 ZINC000833075191 601299978 /nfs/dbraw/zinc/29/99/78/601299978.db2.gz ISDSSVFNJUQBTD-LJQANCHMSA-N -1 3 346.390 2.719 20 30 EFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000827717923 601300296 /nfs/dbraw/zinc/30/02/96/601300296.db2.gz MZQOCZMWVODIKT-CWTRNNRKSA-N -1 3 349.390 2.919 20 30 EFEDHM C=CCc1cc(CNCc2c[nH]c(C(=O)[O-])c2)cc(OC)c1OC ZINC000825705628 601833289 /nfs/dbraw/zinc/83/32/89/601833289.db2.gz PIPHDMVSNRUWSD-UHFFFAOYSA-N -1 3 330.384 2.748 20 30 EFEDHM COc1ccc(CNc2c(F)cc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC000826203499 607559469 /nfs/dbraw/zinc/55/94/69/607559469.db2.gz RFEQJWLHYOISEY-UHFFFAOYSA-N -1 3 342.309 2.637 20 30 EFEDHM COc1ccc(CNc2c(F)cc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC000826203499 607559470 /nfs/dbraw/zinc/55/94/70/607559470.db2.gz RFEQJWLHYOISEY-UHFFFAOYSA-N -1 3 342.309 2.637 20 30 EFEDHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2ccc(C#N)cc2)c1 ZINC000832040938 604456440 /nfs/dbraw/zinc/45/64/40/604456440.db2.gz MCZKQZNTNODIDC-SFHVURJKSA-N -1 3 340.379 2.833 20 30 EFEDHM C(=NN=c1[nH]c2ccccc2s1)c1cc(-c2nnn[n-]2)cs1 ZINC000819719104 606201457 /nfs/dbraw/zinc/20/14/57/606201457.db2.gz ZNNPZRBLYVEWSG-UHFFFAOYSA-N -1 3 327.398 2.984 20 30 EFEDHM C(=NN=c1[nH]c2ccccc2s1)c1cc(-c2nn[n-]n2)cs1 ZINC000819719104 606201458 /nfs/dbraw/zinc/20/14/58/606201458.db2.gz ZNNPZRBLYVEWSG-UHFFFAOYSA-N -1 3 327.398 2.984 20 30 EFEDHM Cc1ccccc1NC(=S)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822362397 606204692 /nfs/dbraw/zinc/20/46/92/606204692.db2.gz RJLNXIGAJMJLQY-UHFFFAOYSA-N -1 3 343.441 2.557 20 30 EFEDHM Cc1ccccc1NC(=S)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822362397 606204693 /nfs/dbraw/zinc/20/46/93/606204693.db2.gz RJLNXIGAJMJLQY-UHFFFAOYSA-N -1 3 343.441 2.557 20 30 EFEDHM COc1cc(C)c(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821708113 606339233 /nfs/dbraw/zinc/33/92/33/606339233.db2.gz KLKNOWOHIAHDQN-UHFFFAOYSA-N -1 3 338.371 2.638 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000822922012 606387937 /nfs/dbraw/zinc/38/79/37/606387937.db2.gz BUYNJFUMDUSTOV-ALCCZGGFSA-N -1 3 327.325 2.733 20 30 EFEDHM CN(C(=O)c1cccc(C#N)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574611 606414997 /nfs/dbraw/zinc/41/49/97/606414997.db2.gz ONVGGQHNPMJNST-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1cccc(C#N)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574611 606414998 /nfs/dbraw/zinc/41/49/98/606414998.db2.gz ONVGGQHNPMJNST-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(C#N)c1 ZINC000820508622 606464438 /nfs/dbraw/zinc/46/44/38/606464438.db2.gz TYEMAARCXOYPJL-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)c1cccc(C#N)c1 ZINC000820508622 606464440 /nfs/dbraw/zinc/46/44/40/606464440.db2.gz TYEMAARCXOYPJL-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819759045 606468362 /nfs/dbraw/zinc/46/83/62/606468362.db2.gz MJZMWBKWOUKVFP-UHFFFAOYSA-N -1 3 328.353 2.712 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819759045 606468363 /nfs/dbraw/zinc/46/83/63/606468363.db2.gz MJZMWBKWOUKVFP-UHFFFAOYSA-N -1 3 328.353 2.712 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000822823672 606491237 /nfs/dbraw/zinc/49/12/37/606491237.db2.gz XJGYBTOAXWBFNA-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000822823672 606491239 /nfs/dbraw/zinc/49/12/39/606491239.db2.gz XJGYBTOAXWBFNA-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820893356 606541152 /nfs/dbraw/zinc/54/11/52/606541152.db2.gz OFRKNFPAVNRBDM-UHFFFAOYSA-N -1 3 332.433 2.720 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820893356 606541154 /nfs/dbraw/zinc/54/11/54/606541154.db2.gz OFRKNFPAVNRBDM-UHFFFAOYSA-N -1 3 332.433 2.720 20 30 EFEDHM COC[C@@H](C)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821681989 606703550 /nfs/dbraw/zinc/70/35/50/606703550.db2.gz XPGMETIEYYYOAH-QMMMGPOBSA-N -1 3 328.298 2.566 20 30 EFEDHM COC[C@@H](C)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821681989 606703552 /nfs/dbraw/zinc/70/35/52/606703552.db2.gz XPGMETIEYYYOAH-QMMMGPOBSA-N -1 3 328.298 2.566 20 30 EFEDHM C=C[C@@H](C)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000819729642 606800458 /nfs/dbraw/zinc/80/04/58/606800458.db2.gz JZJDBMGEHDBSMH-CYBMUJFWSA-N -1 3 328.420 2.609 20 30 EFEDHM C=C[C@@H](C)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000819729642 606800460 /nfs/dbraw/zinc/80/04/60/606800460.db2.gz JZJDBMGEHDBSMH-CYBMUJFWSA-N -1 3 328.420 2.609 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822837389 606993684 /nfs/dbraw/zinc/99/36/84/606993684.db2.gz MHPPEQDLOCSLLJ-VURMDHGXSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822837389 606993685 /nfs/dbraw/zinc/99/36/85/606993685.db2.gz MHPPEQDLOCSLLJ-VURMDHGXSA-N -1 3 349.325 2.634 20 30 EFEDHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000822202049 607238304 /nfs/dbraw/zinc/23/83/04/607238304.db2.gz IUUFZYIIZZKETP-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(Cl)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000822202049 607238305 /nfs/dbraw/zinc/23/83/05/607238305.db2.gz IUUFZYIIZZKETP-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM C=CCOc1ccccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000819759199 607245106 /nfs/dbraw/zinc/24/51/06/607245106.db2.gz PYWLFZAFXRNDIU-UHFFFAOYSA-N -1 3 340.314 2.790 20 30 EFEDHM C=CCOc1ccccc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000819759199 607245107 /nfs/dbraw/zinc/24/51/07/607245107.db2.gz PYWLFZAFXRNDIU-UHFFFAOYSA-N -1 3 340.314 2.790 20 30 EFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnc([C@@H]2CCCO2)s1 ZINC000823861436 607885591 /nfs/dbraw/zinc/88/55/91/607885591.db2.gz IPUMJCXNKPZKOE-ZDUSSCGKSA-N -1 3 341.400 2.621 20 30 EFEDHM C(=NNCc1cccc2cccnc21)c1ccccc1-c1nnn[n-]1 ZINC000823861341 607885654 /nfs/dbraw/zinc/88/56/54/607885654.db2.gz FFDRYIBLWZHRSM-UHFFFAOYSA-N -1 3 329.367 2.539 20 30 EFEDHM C(=NNCc1cccc2cccnc21)c1ccccc1-c1nn[n-]n1 ZINC000823861341 607885655 /nfs/dbraw/zinc/88/56/55/607885655.db2.gz FFDRYIBLWZHRSM-UHFFFAOYSA-N -1 3 329.367 2.539 20 30 EFEDHM CC(C)n1ncc2cc(C=NNc3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC000824377707 607885979 /nfs/dbraw/zinc/88/59/79/607885979.db2.gz LIYDMSJABGEQQJ-UHFFFAOYSA-N -1 3 347.386 2.638 20 30 EFEDHM C=CCSCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000823937308 608048486 /nfs/dbraw/zinc/04/84/86/608048486.db2.gz RCLZSGOUWMXQKK-UHFFFAOYSA-N -1 3 340.250 2.960 20 30 EFEDHM CC(C)c1nc(C#N)c(N=NC(C)c2ccc(-c3nnn[n-]3)s2)o1 ZINC000823962630 608094624 /nfs/dbraw/zinc/09/46/24/608094624.db2.gz NQEREFGIINHQQW-UHFFFAOYSA-N -1 3 342.388 2.747 20 30 EFEDHM COc1ccc(C#N)cc1COc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000826186595 608152122 /nfs/dbraw/zinc/15/21/22/608152122.db2.gz AZABXYQNAUWPLM-UHFFFAOYSA-N -1 3 335.367 2.943 20 30 EFEDHM C=CCCC[C@@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823894617 608332713 /nfs/dbraw/zinc/33/27/13/608332713.db2.gz VCMSGCICFBNBJD-OLZOCXBDSA-N -1 3 330.388 2.922 20 30 EFEDHM CCNc1ccc(C#N)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825480627 609177406 /nfs/dbraw/zinc/17/74/06/609177406.db2.gz DFQWTKSGLGGEMC-UHFFFAOYSA-N -1 3 349.398 2.661 20 30 EFEDHM CCNc1ccc(C#N)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825480627 609177408 /nfs/dbraw/zinc/17/74/08/609177408.db2.gz DFQWTKSGLGGEMC-UHFFFAOYSA-N -1 3 349.398 2.661 20 30 EFEDHM N#CC1(c2ccc(C(=O)OCc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000826380871 609246631 /nfs/dbraw/zinc/24/66/31/609246631.db2.gz OXOHIBLEZJXKDJ-UHFFFAOYSA-N -1 3 345.362 2.779 20 30 EFEDHM N#CC1(c2ccc(C(=O)OCc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000826380871 609246633 /nfs/dbraw/zinc/24/66/33/609246633.db2.gz OXOHIBLEZJXKDJ-UHFFFAOYSA-N -1 3 345.362 2.779 20 30 EFEDHM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000826365378 609270547 /nfs/dbraw/zinc/27/05/47/609270547.db2.gz LPDSDPWAMMYNQW-CLTKARDFSA-N -1 3 348.341 2.789 20 30 EFEDHM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000826365378 609270548 /nfs/dbraw/zinc/27/05/48/609270548.db2.gz LPDSDPWAMMYNQW-CLTKARDFSA-N -1 3 348.341 2.789 20 30 EFEDHM CC(=NNCc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953501 609275443 /nfs/dbraw/zinc/27/54/43/609275443.db2.gz CTNDIPSBHBRGPE-UHFFFAOYSA-N -1 3 346.316 2.798 20 30 EFEDHM CC(=NNCc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953501 609275444 /nfs/dbraw/zinc/27/54/44/609275444.db2.gz CTNDIPSBHBRGPE-UHFFFAOYSA-N -1 3 346.316 2.798 20 30 EFEDHM C=C[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823882729 609328497 /nfs/dbraw/zinc/32/84/97/609328497.db2.gz CFJNGFRNNXRMCW-GFCCVEGCSA-N -1 3 335.367 2.963 20 30 EFEDHM C=C[C@@H](C)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823882729 609328498 /nfs/dbraw/zinc/32/84/98/609328498.db2.gz CFJNGFRNNXRMCW-GFCCVEGCSA-N -1 3 335.367 2.963 20 30 EFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824000060 609370659 /nfs/dbraw/zinc/37/06/59/609370659.db2.gz SFROHMLDYRQXDT-YHYXMXQVSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824000060 609370661 /nfs/dbraw/zinc/37/06/61/609370661.db2.gz SFROHMLDYRQXDT-YHYXMXQVSA-N -1 3 333.351 2.721 20 30 EFEDHM C=CCN(CCc1ccco1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823903591 609447617 /nfs/dbraw/zinc/44/76/17/609447617.db2.gz DXZIWFQQHGOVTM-UHFFFAOYSA-N -1 3 338.371 2.722 20 30 EFEDHM C=CCN(CCc1ccco1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823903591 609447620 /nfs/dbraw/zinc/44/76/20/609447620.db2.gz DXZIWFQQHGOVTM-UHFFFAOYSA-N -1 3 338.371 2.722 20 30 EFEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000824783265 609472952 /nfs/dbraw/zinc/47/29/52/609472952.db2.gz FDQPJTUPVDZRSD-GWCFXTLKSA-N -1 3 332.795 2.733 20 30 EFEDHM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]2CCO[C@@H]21 ZINC000824783265 609472953 /nfs/dbraw/zinc/47/29/53/609472953.db2.gz FDQPJTUPVDZRSD-GWCFXTLKSA-N -1 3 332.795 2.733 20 30 EFEDHM C#CCCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000823845392 609482961 /nfs/dbraw/zinc/48/29/61/609482961.db2.gz QLICAVLFHKFUSU-UHFFFAOYSA-N -1 3 349.394 2.890 20 30 EFEDHM C#CCCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC)cc1 ZINC000823845392 609482964 /nfs/dbraw/zinc/48/29/64/609482964.db2.gz QLICAVLFHKFUSU-UHFFFAOYSA-N -1 3 349.394 2.890 20 30 EFEDHM C#CCCCCCC(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823841165 609641677 /nfs/dbraw/zinc/64/16/77/609641677.db2.gz JKVFVYRYPMSEQV-UHFFFAOYSA-N -1 3 328.372 2.502 20 30 EFEDHM C#CCCCCCC(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823841165 609641678 /nfs/dbraw/zinc/64/16/78/609641678.db2.gz JKVFVYRYPMSEQV-UHFFFAOYSA-N -1 3 328.372 2.502 20 30 EFEDHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000781766541 1249041523 /nfs/dbraw/zinc/04/15/23/1249041523.db2.gz TYJPNNJOUGJSPL-LBPRGKRZSA-N -1 3 330.775 2.908 20 30 EFEDHM N#Cc1cccc(CNC(=O)c2cc([O-])cc(Br)c2)c1 ZINC000700794657 1250184204 /nfs/dbraw/zinc/18/42/04/1250184204.db2.gz YXAYLTQOAHYNOS-UHFFFAOYSA-N -1 3 331.169 2.956 20 30 EFEDHM C=CC(C)(C)CCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000851299420 1250919493 /nfs/dbraw/zinc/91/94/93/1250919493.db2.gz LHGWSKQQAIRLDK-UHFFFAOYSA-N -1 3 329.393 2.956 20 30 EFEDHM C[C@@]1(CNc2ncccc2C#N)CCN(C(=O)c2ccccc2[O-])C1 ZINC001065389984 1265631354 /nfs/dbraw/zinc/63/13/54/1265631354.db2.gz NAVDYRUTYCXJPV-IBGZPJMESA-N -1 3 336.395 2.623 20 30 EFEDHM C[C@H](Nc1ncccc1C#N)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065656078 1265912396 /nfs/dbraw/zinc/91/23/96/1265912396.db2.gz WTZAISSOIOBYHX-DZGCQCFKSA-N -1 3 336.395 2.622 20 30 EFEDHM C[C@@H](Nc1ccc(C#N)nc1)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065658001 1265915169 /nfs/dbraw/zinc/91/51/69/1265915169.db2.gz YLYSOGODZVLMGI-ZIAGYGMSSA-N -1 3 336.395 2.622 20 30 EFEDHM COc1cccc(F)c1C(C)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000741810157 1255721953 /nfs/dbraw/zinc/72/19/53/1255721953.db2.gz MGTFLFFUWKAPOD-UHFFFAOYSA-N -1 3 336.388 2.678 20 30 EFEDHM C=CCC1(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001107502287 1256007713 /nfs/dbraw/zinc/00/77/13/1256007713.db2.gz DTBMFSFKLKWXQQ-ARJAWSKDSA-N -1 3 346.387 2.526 20 30 EFEDHM Cc1nc(NC[C@H]2CCN(C(=O)c3ccccc3[O-])C2)ccc1C#N ZINC001060810983 1257165241 /nfs/dbraw/zinc/16/52/41/1257165241.db2.gz MEPNVUMKBHYLJP-CQSZACIVSA-N -1 3 336.395 2.542 20 30 EFEDHM C=C(C)CCC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001062243402 1260319750 /nfs/dbraw/zinc/31/97/50/1260319750.db2.gz SPLSSFAOWJSDOB-OAHLLOKOSA-N -1 3 330.428 2.859 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000131660513 1260594010 /nfs/dbraw/zinc/59/40/10/1260594010.db2.gz UWKXATQCYDMTSI-OAHLLOKOSA-N -1 3 330.290 2.935 20 30 EFEDHM C=C(C)CCC(=O)N1CCC2(CN(C(=O)c3ccccc3[O-])C2)CC1 ZINC001060905761 1261099719 /nfs/dbraw/zinc/09/97/19/1261099719.db2.gz RYLVBBDXBVOILJ-UHFFFAOYSA-N -1 3 342.439 2.813 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCC[C@H](NC(=O)c3ccccc3[O-])C2)cn1 ZINC001061048303 1262827416 /nfs/dbraw/zinc/82/74/16/1262827416.db2.gz SLTCWOCFLSTHNC-KBPBESRZSA-N -1 3 336.395 2.812 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032913573 1265366426 /nfs/dbraw/zinc/36/64/26/1265366426.db2.gz QNVBNZUSRCRSPX-QGZVFWFLSA-N -1 3 335.407 2.610 20 30 EFEDHM COCCN(C)c1ccc(/C=C\C(=O)c2cc(C)c([O-])c(O)c2)cn1 ZINC000824406287 1266887149 /nfs/dbraw/zinc/88/71/49/1266887149.db2.gz QQOUBEQCQFXYKI-XQRVVYSFSA-N -1 3 342.395 2.780 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccn(C(C)C)n1 ZINC000735129141 1267205167 /nfs/dbraw/zinc/20/51/67/1267205167.db2.gz HAWBCTHHFNYNLI-UHFFFAOYSA-N -1 3 342.399 2.729 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H](C)[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001004526008 1267224599 /nfs/dbraw/zinc/22/45/99/1267224599.db2.gz YBTSHDZBJYBZKO-ZFWWWQNUSA-N -1 3 330.428 2.571 20 30 EFEDHM COc1cc(/C=C/C(=O)c2nccn2C)cc(Br)c1[O-] ZINC000735792910 1267425647 /nfs/dbraw/zinc/42/56/47/1267425647.db2.gz NYJHMIHMAXGZAQ-ONEGZZNKSA-N -1 3 337.173 2.793 20 30 EFEDHM COc1ccnc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000735911108 1267453466 /nfs/dbraw/zinc/45/34/66/1267453466.db2.gz JEAPXYMAZRFOAF-CYBMUJFWSA-N -1 3 329.743 2.705 20 30 EFEDHM O=C1C(=N[N-]c2cccnn2)c2ccccc2N1Cc1ccccc1 ZINC000735976488 1267463215 /nfs/dbraw/zinc/46/32/15/1267463215.db2.gz IKKSCWJDGRYMRA-UHFFFAOYSA-N -1 3 329.363 2.840 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccncc1 ZINC000735965231 1267469918 /nfs/dbraw/zinc/46/99/18/1267469918.db2.gz PGCPSWDNQLLQGA-CYBMUJFWSA-N -1 3 325.368 2.908 20 30 EFEDHM CC(C)(C)c1ccc(OCCCn2ccc(C=N[O-])nc2=O)cc1 ZINC000736307495 1267563660 /nfs/dbraw/zinc/56/36/60/1267563660.db2.gz VRJOZBNSQPMMLU-UHFFFAOYSA-N -1 3 329.400 2.818 20 30 EFEDHM CCCCCCCCC(=O)N1CCC[C@@H](NC(=O)c2cn[n-]n2)CC1 ZINC001066301921 1268358429 /nfs/dbraw/zinc/35/84/29/1268358429.db2.gz WRXGDYNUEZUMFV-OAHLLOKOSA-N -1 3 349.479 2.666 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2ccccc2OCC2CC2)c1[O-] ZINC000739427804 1268689484 /nfs/dbraw/zinc/68/94/84/1268689484.db2.gz ZWEGLKHBFKWGIQ-KEBDBYFISA-N -1 3 326.396 2.996 20 30 EFEDHM C#CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001078934555 1268711692 /nfs/dbraw/zinc/71/16/92/1268711692.db2.gz RIRCWCDSWCIYQB-MRXNPFEDSA-N -1 3 342.439 2.649 20 30 EFEDHM C=CCNC(=O)[C@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001273374413 1269143323 /nfs/dbraw/zinc/14/33/23/1269143323.db2.gz MSIINFASGJRUFD-CYBMUJFWSA-N -1 3 336.382 2.575 20 30 EFEDHM C[C@@H](CNc1nc(C#N)c(Cl)s1)NC(=O)c1ccccc1[O-] ZINC001108252622 1270462005 /nfs/dbraw/zinc/46/20/05/1270462005.db2.gz OVQCKYYRZNCOIA-QMMMGPOBSA-N -1 3 336.804 2.604 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCc2cc(F)ccc21 ZINC000743448223 1270582723 /nfs/dbraw/zinc/58/27/23/1270582723.db2.gz FNXAFKPQQWFWMN-UHFFFAOYSA-N -1 3 332.400 2.638 20 30 EFEDHM CCOc1cccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000743449259 1270583843 /nfs/dbraw/zinc/58/38/43/1270583843.db2.gz SYZRXZMYJSBYMK-UHFFFAOYSA-N -1 3 346.452 2.971 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCOc2ccccc21 ZINC000743448443 1270584003 /nfs/dbraw/zinc/58/40/03/1270584003.db2.gz PDNBFBDFLRMRTR-UHFFFAOYSA-N -1 3 344.436 2.725 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(Br)c2)c1[O-] ZINC000745624138 1271531654 /nfs/dbraw/zinc/53/16/54/1271531654.db2.gz GXSLTAOYBKMTOE-IUXPMGMMSA-N -1 3 335.201 2.970 20 30 EFEDHM COc1cc(C=NNc2cc([N+](=O)[O-])ccc2C)c([N+](=O)[O-])cc1[O-] ZINC000747061548 1278655059 /nfs/dbraw/zinc/65/50/59/1278655059.db2.gz JULMLSWKHZZMGD-UHFFFAOYSA-N -1 3 346.299 2.972 20 30 EFEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1N1CCOC1=O ZINC000746393222 1272156510 /nfs/dbraw/zinc/15/65/10/1272156510.db2.gz IFOKCQXDYDYUFR-UHFFFAOYSA-N -1 3 328.324 2.819 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109577526 1274443653 /nfs/dbraw/zinc/44/36/53/1274443653.db2.gz KQPJJJSVASXBDQ-UHFFFAOYSA-N -1 3 336.392 2.558 20 30 EFEDHM C=CCC(C)(C)C(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109631325 1274496675 /nfs/dbraw/zinc/49/66/75/1274496675.db2.gz WVHPBQIBECUWCH-UHFFFAOYSA-N -1 3 336.392 2.558 20 30 EFEDHM Cc1nc(NC[C@H](NC(=O)c2ccccc2[O-])C2CC2)ccc1C#N ZINC001109779724 1274612209 /nfs/dbraw/zinc/61/22/09/1274612209.db2.gz VVQNYTNBZWAMNI-INIZCTEOSA-N -1 3 336.395 2.588 20 30 EFEDHM N#Cc1ccc(N2CC[C@@H](OC(=O)c3cc4occc4[n-]3)C2=O)cc1 ZINC000786033827 1275281573 /nfs/dbraw/zinc/28/15/73/1275281573.db2.gz UGSHJBSEJVIUQD-OAHLLOKOSA-N -1 3 335.319 2.595 20 30 EFEDHM CN(C(=O)COC(=O)c1cc2sccc2c([O-])c1)C(C)(C)C#N ZINC000786136669 1275321039 /nfs/dbraw/zinc/32/10/39/1275321039.db2.gz JNOQZZCKJSZATP-UHFFFAOYSA-N -1 3 332.381 2.524 20 30 EFEDHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000786887299 1275585039 /nfs/dbraw/zinc/58/50/39/1275585039.db2.gz OBEYQNLCICADNU-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM Cc1oc(-c2ccccc2)c(C(=O)N[C@H]2CCCN([O-])C2=O)c1C ZINC000820470706 1277186221 /nfs/dbraw/zinc/18/62/21/1277186221.db2.gz DQHCPPCJPJRBID-AWEZNQCLSA-N -1 3 328.368 2.673 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000820482225 1277191470 /nfs/dbraw/zinc/19/14/70/1277191470.db2.gz GNJOLWYLGLATKW-AWEZNQCLSA-N -1 3 336.819 2.648 20 30 EFEDHM CCOC(=O)c1nnc([C@H](CC(C)C)NCc2cccc(C#N)c2)[n-]1 ZINC000585116613 1277326762 /nfs/dbraw/zinc/32/67/62/1277326762.db2.gz CRKWSOYRNHHREN-HNNXBMFYSA-N -1 3 341.415 2.730 20 30 EFEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000820797998 1277331032 /nfs/dbraw/zinc/33/10/32/1277331032.db2.gz PVCACUODRZJVLH-UHFFFAOYSA-N -1 3 336.638 2.793 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790714126 1277738495 /nfs/dbraw/zinc/73/84/95/1277738495.db2.gz ZHOQTFMMVOGWEY-CYBMUJFWSA-N -1 3 326.352 2.709 20 30 EFEDHM CC(C)(C)OC(=O)[C@]1(C([O-])=C(C#N)c2ccncn2)CC=CCC1 ZINC000845515055 1279696417 /nfs/dbraw/zinc/69/64/17/1279696417.db2.gz ZSTZJZWTTDVGHK-FZKQIMNGSA-N -1 3 327.384 2.721 20 30 EFEDHM C=CCCC(=O)NC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001114147845 1279815147 /nfs/dbraw/zinc/81/51/47/1279815147.db2.gz QACAVSGDTGTVSN-UHFFFAOYSA-N -1 3 348.403 2.893 20 30 EFEDHM N#Cc1ccc([O-])c(NC(=O)C(C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000845886993 1279914109 /nfs/dbraw/zinc/91/41/09/1279914109.db2.gz HMEMUCXNMFMCHG-MNOVXSKESA-N -1 3 328.290 2.950 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1N(C)C ZINC000794017331 1280000393 /nfs/dbraw/zinc/00/03/93/1280000393.db2.gz GFMCOAIMVWGSHJ-UHFFFAOYSA-N -1 3 333.388 2.873 20 30 EFEDHM C=C(C)CO[N-]C(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000846148964 1280037774 /nfs/dbraw/zinc/03/77/74/1280037774.db2.gz CYJDXJHBYHXGLZ-CQSZACIVSA-N -1 3 345.443 2.609 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000846548630 1280242907 /nfs/dbraw/zinc/24/29/07/1280242907.db2.gz FZZJLSDSXUBAMT-STQMWFEESA-N -1 3 335.379 2.692 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000846551034 1280245649 /nfs/dbraw/zinc/24/56/49/1280245649.db2.gz SGXUPBKFNSYMKT-LBPRGKRZSA-N -1 3 331.372 2.690 20 30 EFEDHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000846537604 1280251475 /nfs/dbraw/zinc/25/14/75/1280251475.db2.gz NSUNBHMQHDYMLH-LBPRGKRZSA-N -1 3 332.429 2.532 20 30 EFEDHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000846540020 1280255131 /nfs/dbraw/zinc/25/51/31/1280255131.db2.gz KRYVRKZMJRQOFX-AWEZNQCLSA-N -1 3 336.819 2.816 20 30 EFEDHM N#Cc1c([N-]C(=O)c2cc(-c3ccccc3)on2)ncc2c1COCC2 ZINC001130065076 1280433060 /nfs/dbraw/zinc/43/30/60/1280433060.db2.gz REZXFQLRZLYQCV-UHFFFAOYSA-N -1 3 346.346 2.933 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)c1ccccc1 ZINC000805123885 1280449855 /nfs/dbraw/zinc/44/98/55/1280449855.db2.gz SXAATBWXMXZVTD-UHFFFAOYSA-N -1 3 349.383 2.604 20 30 EFEDHM CC(C)(C)n1nnc(C/N=C/c2cc(Br)ccc2[O-])n1 ZINC000846756974 1280454055 /nfs/dbraw/zinc/45/40/55/1280454055.db2.gz PXPQYDOYIJGGJL-VIZOYTHASA-N -1 3 338.209 2.515 20 30 EFEDHM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175429046 1287425242 /nfs/dbraw/zinc/42/52/42/1287425242.db2.gz RSNFFAMANHEBIT-UHFFFAOYSA-N -1 3 346.329 2.807 20 30 EFEDHM C=CCCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000805217723 1280491175 /nfs/dbraw/zinc/49/11/75/1280491175.db2.gz ISPRZEJCRMTFHY-UHFFFAOYSA-N -1 3 342.436 2.600 20 30 EFEDHM 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EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2CCc3ccccc3CC2)c1 ZINC001190682233 1292284280 /nfs/dbraw/zinc/28/42/80/1292284280.db2.gz WYFZKOQUHHMQOK-UHFFFAOYSA-N -1 3 344.411 2.923 20 30 EFEDHM COc1cccc([C@H](C)C[N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190681854 1292284338 /nfs/dbraw/zinc/28/43/38/1292284338.db2.gz OWUAXFWNAHIYSX-GFCCVEGCSA-N -1 3 348.399 2.788 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc3C2)c1 ZINC001190681612 1292284367 /nfs/dbraw/zinc/28/43/67/1292284367.db2.gz LASCSFLUFIGFRN-OAHLLOKOSA-N -1 3 348.374 2.672 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-][C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC001190822493 1292329672 /nfs/dbraw/zinc/32/96/72/1292329672.db2.gz XWZOZGOXWWZPGF-ZDUSSCGKSA-N -1 3 343.832 2.582 20 30 EFEDHM N#Cc1ccc(CN2CCN(c3cc(Cl)ccn3)CC2)c([O-])c1 ZINC001233386241 1312919738 /nfs/dbraw/zinc/91/97/38/1312919738.db2.gz LLXPQJDIUSLQKN-UHFFFAOYSA-N -1 3 328.803 2.634 20 30 EFEDHM N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3)CC2)c([O-])c1 ZINC001233387337 1312920474 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N#CC=C([O-])c1ccccc1O[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC001233531434 1312951346 /nfs/dbraw/zinc/95/13/46/1312951346.db2.gz SPFFKNAUFVZHBY-INIZCTEOSA-N -1 3 334.375 2.963 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc([O-])cc(C(N)=O)c2)c(C(F)(F)F)c1 ZINC001192105110 1292775235 /nfs/dbraw/zinc/77/52/35/1292775235.db2.gz RBNWNKZGWRLAST-UHFFFAOYSA-N -1 3 349.268 2.634 20 30 EFEDHM N#Cc1ccc([O-])c(Nc2ccccc2S(=O)(=O)N2CCCC2)c1 ZINC001192964674 1293124175 /nfs/dbraw/zinc/12/41/75/1293124175.db2.gz BGVVELACLGOBPE-UHFFFAOYSA-N -1 3 343.408 2.792 20 30 EFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(F)cc1Br ZINC001193097675 1293166855 /nfs/dbraw/zinc/16/68/55/1293166855.db2.gz NULMPJOBILQUOC-YFKPBYRVSA-N -1 3 341.589 2.895 20 30 EFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001193149124 1293186089 /nfs/dbraw/zinc/18/60/89/1293186089.db2.gz LZWDVBLEAJRBER-NSHDSACASA-N -1 3 339.417 2.712 20 30 EFEDHM C[C@H](NC(=O)c1ccc(Br)c(=O)[n-]1)c1cccc(C#N)c1 ZINC001193153731 1293187620 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CC(C)Oc1ccc(C(=O)Nc2cc(C#N)c(C#N)cc2N)cc1[O-] ZINC001198293714 1294969167 /nfs/dbraw/zinc/96/91/67/1294969167.db2.gz RWBCYEUGBSEHFV-UHFFFAOYSA-N -1 3 336.351 2.757 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=S)NC2CCCC2)c(C)c1[O-] ZINC001198552022 1295126716 /nfs/dbraw/zinc/12/67/16/1295126716.db2.gz LKQIKSQCGCCMGX-UHFFFAOYSA-N -1 3 347.440 2.978 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@H]([C@H](C)NC(=O)c3ccccc3[O-])C2)C1 ZINC000959272603 1295147230 /nfs/dbraw/zinc/14/72/30/1295147230.db2.gz QPVPSTBCPNFQKZ-GJZGRUSLSA-N -1 3 342.439 2.715 20 30 EFEDHM CC1(C)CC(Oc2[n-]c(=O)nc3cccc(C#N)c32)CC(C)(C)N1O ZINC001234512137 1313141967 /nfs/dbraw/zinc/14/19/67/1313141967.db2.gz ZZKPNZSQRJWSGF-UHFFFAOYSA-N -1 3 342.399 2.997 20 30 EFEDHM CC(C)(C)C(=O)OC1CC(Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234513124 1313142714 /nfs/dbraw/zinc/14/27/14/1313142714.db2.gz IHCVGPQHCYJROB-UHFFFAOYSA-N -1 3 341.367 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc([O-])c(=O)[nH]2)ccc1N1CCCCC1 ZINC001199199542 1295443401 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COc1ccc(Cn2cnc(C(=O)Nc3ccc([O-])c(C#N)c3)c2)cc1 ZINC001199480587 1295557369 /nfs/dbraw/zinc/55/73/69/1295557369.db2.gz INUCTTLBUZPBNA-UHFFFAOYSA-N -1 3 348.362 2.770 20 30 EFEDHM C=C1CC(C)(C(=O)N2C[C@@H](CNC(=O)c3ccccc3[O-])[C@H](C)C2)C1 ZINC000959587743 1295572696 /nfs/dbraw/zinc/57/26/96/1295572696.db2.gz YPMWBOSDHLUCAR-HUUCEWRRSA-N -1 3 342.439 2.573 20 30 EFEDHM C=CCSc1ncccc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001199741105 1295718977 /nfs/dbraw/zinc/71/89/77/1295718977.db2.gz YNXMLUGDPBVCBU-UHFFFAOYSA-N -1 3 328.397 2.799 20 30 EFEDHM C=CCSc1ncccc1C(=O)Nc1cnc(C(=O)OCC)[n-]1 ZINC001199736230 1295741149 /nfs/dbraw/zinc/74/11/49/1295741149.db2.gz ZSWSKACTQPIFFB-UHFFFAOYSA-N -1 3 332.385 2.512 20 30 EFEDHM C=CCSc1ncccc1C(=O)Nc1c[n-]c(C(=O)OCC)n1 ZINC001199736230 1295741154 /nfs/dbraw/zinc/74/11/54/1295741154.db2.gz ZSWSKACTQPIFFB-UHFFFAOYSA-N -1 3 332.385 2.512 20 30 EFEDHM CN1CCc2c(C#N)c(Nc3cc([O-])cc([N+](=O)[O-])c3)sc2C1 ZINC001199802573 1295759913 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SHIIRUKNDLGNHC-CQSZACIVSA-N -1 3 332.743 2.914 20 30 EFEDHM CC(=O)c1ccc([O-])c(OC2CCN(c3ncccc3C#N)CC2)c1 ZINC001225993505 1311599072 /nfs/dbraw/zinc/59/90/72/1311599072.db2.gz GZDPSSIGZMUXGR-UHFFFAOYSA-N -1 3 337.379 2.909 20 30 EFEDHM C[C@@H](c1ccccn1)N1CCC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1 ZINC001226008526 1311600704 /nfs/dbraw/zinc/60/07/04/1311600704.db2.gz HXHBTBGGDHNXCX-JSGCOSHPSA-N -1 3 342.374 2.797 20 30 EFEDHM C[C@H](c1ccccn1)N1CCC[C@H](Oc2[n-]c(=O)c(F)cc2C#N)C1 ZINC001226008528 1311600758 /nfs/dbraw/zinc/60/07/58/1311600758.db2.gz HXHBTBGGDHNXCX-OCCSQVGLSA-N -1 3 342.374 2.797 20 30 EFEDHM [O-]/N=C/c1cccc(OC[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC001226114086 1311615396 /nfs/dbraw/zinc/61/53/96/1311615396.db2.gz FEWLBEJACXMCRR-FUNKKEAFSA-N -1 3 326.396 2.775 20 30 EFEDHM [O-]/N=C/c1cccc(OC[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC001226114087 1311615674 /nfs/dbraw/zinc/61/56/74/1311615674.db2.gz FEWLBEJACXMCRR-GUBFPNNNSA-N -1 3 326.396 2.775 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1cc2ccccc2nc1Cl ZINC001160176551 1311660209 /nfs/dbraw/zinc/66/02/09/1311660209.db2.gz XGCDYWMSDXACIO-UFBFGSQYSA-N -1 3 341.745 2.763 20 30 EFEDHM Cc1nc2sc3c(c2c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1)CCCC3 ZINC001160176527 1311660418 /nfs/dbraw/zinc/66/04/18/1311660418.db2.gz WKWJTXAVIVICLL-SDBXPKJASA-N -1 3 332.429 2.527 20 30 EFEDHM Cc1ccc2nc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c(C#N)c(Cl)c2c1 ZINC001160178058 1311660462 /nfs/dbraw/zinc/66/04/62/1311660462.db2.gz BEBQHSPIWCLELW-XPTSAGLGSA-N -1 3 330.775 2.716 20 30 EFEDHM C=CCCCCCCCN1Cc2[nH]nc(C(=O)[N-]c3nnco3)c2C1 ZINC001277159099 1311730227 /nfs/dbraw/zinc/73/02/27/1311730227.db2.gz CNIPOPIEWRECDT-UHFFFAOYSA-N -1 3 344.419 2.887 20 30 EFEDHM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1[n-]c(=S)ncc1CC ZINC001227061602 1311757147 /nfs/dbraw/zinc/75/71/47/1311757147.db2.gz KNRCRUAJVRXYQW-LBPRGKRZSA-N -1 3 338.505 2.519 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc(C#N)ccc2[O-])C(F)(F)C1 ZINC001227345344 1311796190 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C=CCCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001051453572 1315865983 /nfs/dbraw/zinc/86/59/83/1315865983.db2.gz OXEDBUMRXMSIEF-GJZGRUSLSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001051453575 1315866167 /nfs/dbraw/zinc/86/61/67/1315866167.db2.gz OXEDBUMRXMSIEF-LSDHHAIUSA-N -1 3 330.428 2.715 20 30 EFEDHM Cc1nsc(NC[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)c1C#N ZINC001068441003 1316112036 /nfs/dbraw/zinc/11/20/36/1316112036.db2.gz VQOZQSGLPCQBTO-HAQNSBGRSA-N -1 3 342.424 2.649 20 30 EFEDHM CCOC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258116516 1316119912 /nfs/dbraw/zinc/11/99/12/1316119912.db2.gz OROOJSMMPYZYSK-UHFFFAOYSA-N -1 3 348.355 2.675 20 30 EFEDHM CCCCCCCCC[C@H](C)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001258231823 1316133971 /nfs/dbraw/zinc/13/39/71/1316133971.db2.gz VEVQTRASAWIHEJ-IHRRRGAJSA-N -1 3 334.482 2.507 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c[nH]c(Cl)cc2=O)c(Cl)c1 ZINC001259107364 1316210693 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C#Cc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1F ZINC001259370757 1316234487 /nfs/dbraw/zinc/23/44/87/1316234487.db2.gz BXAROGALOLRWGH-UHFFFAOYSA-N -1 3 341.367 2.794 20 30 EFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)cnc2Cl)ccc1F ZINC001259412644 1316239499 /nfs/dbraw/zinc/23/94/99/1316239499.db2.gz NZXIQZHNSXJSNC-UHFFFAOYSA-N -1 3 329.715 2.686 20 30 EFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1F ZINC001259417367 1316239780 /nfs/dbraw/zinc/23/97/80/1316239780.db2.gz QEXKHTNWYBMVJJ-UHFFFAOYSA-N -1 3 342.355 2.684 20 30 EFEDHM N#Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC001259463096 1316246201 /nfs/dbraw/zinc/24/62/01/1316246201.db2.gz QEVHNEJFAHIYBS-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)s1 ZINC001259472511 1316247795 /nfs/dbraw/zinc/24/77/95/1316247795.db2.gz VZADUFMKAPLLNN-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2cccc(C)c2)c1 ZINC001259749800 1316272379 /nfs/dbraw/zinc/27/23/79/1316272379.db2.gz 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C=CCN(CC=C)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC(=C)C ZINC001263285681 1316526792 /nfs/dbraw/zinc/52/67/92/1316526792.db2.gz LPKGAFGOPYNVBV-UHFFFAOYSA-N -1 3 326.404 2.504 20 30 EFEDHM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1nc(N)c2ccccc2n1 ZINC001263375719 1316538876 /nfs/dbraw/zinc/53/88/76/1316538876.db2.gz WJJHEDUQRBJSHW-CQSZACIVSA-N -1 3 330.347 2.637 20 30 EFEDHM N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001041546902 1316585456 /nfs/dbraw/zinc/58/54/56/1316585456.db2.gz GQHWNTGQLHHCIK-IRXDYDNUSA-N -1 3 348.406 2.812 20 30 EFEDHM CC(C)(C)c1ccc([N-]N=C2CCN(Cc3ccccc3)C2=O)nn1 ZINC001318900422 1328736538 /nfs/dbraw/zinc/73/65/38/1328736538.db2.gz PBSYYEANIIXKSD-UHFFFAOYSA-N -1 3 337.427 2.975 20 30 EFEDHM CCOC(=O)C[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC001319670025 1328946217 /nfs/dbraw/zinc/94/62/17/1328946217.db2.gz CSTQFWHTYSRAHI-BYINCCNUSA-N -1 3 342.395 2.701 20 30 EFEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001320293921 1329108103 /nfs/dbraw/zinc/10/81/03/1329108103.db2.gz FGWFIILBXWCHCN-VIFPVBQESA-N -1 3 343.754 2.838 20 30 EFEDHM C=CC[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OCC ZINC001324926926 1329660026 /nfs/dbraw/zinc/66/00/26/1329660026.db2.gz CHUWFERXUDDCQH-CYBMUJFWSA-N -1 3 347.383 2.551 20 30 EFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1occc1C ZINC001329649973 1330726180 /nfs/dbraw/zinc/72/61/80/1330726180.db2.gz OHDYEKQXOGPLMK-UHFFFAOYSA-N -1 3 329.381 2.942 20 30 EFEDHM CC#CC[C@H](NCc1cccc(F)c1OCC(F)(F)F)C(=O)[O-] ZINC001333185502 1331090679 /nfs/dbraw/zinc/09/06/79/1331090679.db2.gz MJEZOTSNRIPJFA-LBPRGKRZSA-N -1 3 333.281 2.723 20 30 EFEDHM C#CCN(c1nnc(-c2c[n-]oc2=O)n1C)[C@H]1CCCc2ccccc21 ZINC001338302883 1331687650 /nfs/dbraw/zinc/68/76/50/1331687650.db2.gz USOQDCMOYXULMT-INIZCTEOSA-N -1 3 349.394 2.693 20 30 EFEDHM C=CC[C@H]1N(c2nnc(-c3cnc[n-]c3=O)n2C)CCCC1(C)C ZINC001338367764 1331699431 /nfs/dbraw/zinc/69/94/31/1331699431.db2.gz UGDLKIAZIQJWFS-CYBMUJFWSA-N -1 3 328.420 2.549 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC(C)C)C(C)C ZINC001339069231 1331782662 /nfs/dbraw/zinc/78/26/62/1331782662.db2.gz MRTXRHDOEKOEEM-UHFFFAOYSA-N -1 3 330.436 2.806 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001339194076 1331813362 /nfs/dbraw/zinc/81/33/62/1331813362.db2.gz BPAUGVQVHJCTQR-DZGCQCFKSA-N -1 3 340.431 2.704 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](C(C)(C)C)C1 ZINC001339606339 1331910755 /nfs/dbraw/zinc/91/07/55/1331910755.db2.gz JHVXVFZDYRCFNL-ZDUSSCGKSA-N -1 3 342.447 2.889 20 30 EFEDHM C#CCN(c1nnc(-c2c[n-]oc2=O)n1CC)[C@@H]1CCc2ccccc21 ZINC001340187978 1332150951 /nfs/dbraw/zinc/15/09/51/1332150951.db2.gz XUXHCEBATZPKIX-MRXNPFEDSA-N -1 3 349.394 2.786 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCCC2(CCCC2)C1 ZINC001340379883 1332184235 /nfs/dbraw/zinc/18/42/35/1332184235.db2.gz JFJSIFIGTZOPDN-UHFFFAOYSA-N -1 3 329.404 2.985 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccn(-c2ccncc2)n1 ZINC001341198747 1332242413 /nfs/dbraw/zinc/24/24/13/1332242413.db2.gz RPTHSFYRXBMPOD-AWEZNQCLSA-N -1 3 342.362 2.644 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1scnc1C ZINC001342190176 1332315296 /nfs/dbraw/zinc/31/52/96/1332315296.db2.gz VKKMTLGPYJRPPG-UHFFFAOYSA-N -1 3 346.416 2.616 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001342197200 1332316267 /nfs/dbraw/zinc/31/62/67/1332316267.db2.gz CXPVQTLLEPHDMK-UHFFFAOYSA-N -1 3 341.293 2.524 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001343670599 1332368432 /nfs/dbraw/zinc/36/84/32/1332368432.db2.gz XRXNUIBECYLDEY-CQSZACIVSA-N -1 3 340.431 2.643 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(OC)c(Br)n1 ZINC001344864948 1332488861 /nfs/dbraw/zinc/48/88/61/1332488861.db2.gz WMFQEFSWEAIRFP-SECBINFHSA-N -1 3 349.188 2.559 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@](C)(CC)C1 ZINC001351722337 1333275321 /nfs/dbraw/zinc/27/53/21/1333275321.db2.gz CCWZTPULLBNOCT-KRWDZBQOSA-N -1 3 328.420 2.643 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H](C)c1cccs1 ZINC001351722670 1333275453 /nfs/dbraw/zinc/27/54/53/1333275453.db2.gz FJVRAVNWHNXZTF-NSHDSACASA-N -1 3 342.428 2.886 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001351723751 1333276113 /nfs/dbraw/zinc/27/61/13/1333276113.db2.gz XFUIWZNLDRWQCU-HNNXBMFYSA-N -1 3 348.410 2.621 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@](C)(CC)C1 ZINC001352063381 1333369902 /nfs/dbraw/zinc/36/99/02/1333369902.db2.gz RKGPRFCHSBGUIJ-KRWDZBQOSA-N -1 3 328.420 2.562 20 30 EFEDHM CCCCOc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)c(Cl)c1 ZINC000848133803 1334345598 /nfs/dbraw/zinc/34/55/98/1334345598.db2.gz HMOXPHFWDDCRPW-AWEZNQCLSA-N -1 3 340.807 2.629 20 30 EFEDHM CC12CC3(C)CC(C)(C1)CC(C(=O)N[C@@H]1CCCN([O-])C1=O)(C2)C3 ZINC000848134174 1334347412 /nfs/dbraw/zinc/34/74/12/1334347412.db2.gz PAWSVIJVZCWPAR-MHHRXVLKSA-N -1 3 334.460 2.870 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000848137571 1334349406 /nfs/dbraw/zinc/34/94/06/1334349406.db2.gz GXHGFIGQFCNEQL-QGZVFWFLSA-N -1 3 341.411 2.547 20 30 EFEDHM Cc1cccc2sc(C(=O)N[C@@H]3CCCN([O-])C3=O)c(Cl)c21 ZINC000848139075 1334350399 /nfs/dbraw/zinc/35/03/99/1334350399.db2.gz XBGLJGWJHBREMK-SECBINFHSA-N -1 3 338.816 2.973 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1sccc1-c1ccc(F)cc1 ZINC000848139551 1334351876 /nfs/dbraw/zinc/35/18/76/1334351876.db2.gz YJWKNMCTPVNCMG-ZDUSSCGKSA-N -1 3 334.372 2.664 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(CC)Cc1cccs1 ZINC001355969766 1334921086 /nfs/dbraw/zinc/92/10/86/1334921086.db2.gz XEGKXZBYPYQNCG-UHFFFAOYSA-N -1 3 342.428 2.715 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC001355969625 1334921234 /nfs/dbraw/zinc/92/12/34/1334921234.db2.gz WLPULNPMIHMOOB-OLZOCXBDSA-N -1 3 328.420 2.642 20 30 EFEDHM N#CC(=C([O-])c1cnnn1-c1ccccc1Cl)c1cccc(F)n1 ZINC001357598446 1335319745 /nfs/dbraw/zinc/31/97/45/1335319745.db2.gz HKAFGMBLTGBYPS-SNVBAGLBSA-N -1 3 341.733 2.945 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1ccc(C#N)cc1 ZINC000849663737 1335686098 /nfs/dbraw/zinc/68/60/98/1335686098.db2.gz XDCSAHHJMDZVOP-UHFFFAOYSA-N -1 3 349.390 2.866 20 30 EFEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1 ZINC001361357988 1336022288 /nfs/dbraw/zinc/02/22/88/1336022288.db2.gz PPUUTCDGTLMNQL-UHFFFAOYSA-N -1 3 330.266 2.906 20 30 EFEDHM Cc1cc(=O)[n-]c(CNC(=O)c2c(Cl)cc(C#N)cc2Cl)n1 ZINC001362639993 1336686213 /nfs/dbraw/zinc/68/62/13/1336686213.db2.gz NUMVVYSYEYOYKV-UHFFFAOYSA-N -1 3 337.166 2.599 20 30 EFEDHM C=C(Cl)CNC[C@@]1(NC(=O)c2ncccc2[O-])CCCC[C@@H]1C ZINC001373896695 1341193773 /nfs/dbraw/zinc/19/37/73/1341193773.db2.gz LCGAQCLEDRPPDQ-SJCJKPOMSA-N -1 3 337.851 2.808 20 30 EFEDHM N#Cc1ccc(CN(CCNC(=O)c2ccccc2[O-])C2CC2)s1 ZINC001437778312 1388053861 /nfs/dbraw/zinc/05/38/61/1388053861.db2.gz GJYBQWIVYBWYTC-UHFFFAOYSA-N -1 3 341.436 2.720 20 30 EFEDHM N#Cc1ccccc1CNC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001421730155 1379047065 /nfs/dbraw/zinc/04/70/65/1379047065.db2.gz IRMZKPNCUIYUJF-UHFFFAOYSA-N -1 3 335.407 2.706 20 30 EFEDHM Cc1ccc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c([O-])c1 ZINC001447601805 1391717369 /nfs/dbraw/zinc/71/73/69/1391717369.db2.gz VSNQEODDDVLXCS-UHFFFAOYSA-N -1 3 346.390 2.903 20 30 EFEDHM C[C@@H](Nc1cccc(F)c1C#N)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001458453874 1395472041 /nfs/dbraw/zinc/47/20/41/1395472041.db2.gz DNDBKIHVMSLNCE-WDEREUQCSA-N -1 3 328.347 2.873 20 30 EFEDHM C[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001458453966 1395472489 /nfs/dbraw/zinc/47/24/89/1395472489.db2.gz FFCGEKYZLOLARB-VHSXEESVSA-N -1 3 345.790 2.782 20 30 EFEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]Cc1ccnc(C#N)c1 ZINC001464840439 1396618249 /nfs/dbraw/zinc/61/82/49/1396618249.db2.gz UOJGUZIGPLOZDN-UHFFFAOYSA-N -1 3 345.355 2.626 20 30 EFEDHM C=C(Cl)CN(C)CCC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001496499770 1400775774 /nfs/dbraw/zinc/77/57/74/1400775774.db2.gz YVLVGQGVDPUYPA-UHFFFAOYSA-N -1 3 337.851 2.714 20 30 EFEDHM C[C@@H](CN(C)Cc1ccc(C#N)s1)NC(=O)c1ccccc1[O-] ZINC001498229821 1401930785 /nfs/dbraw/zinc/93/07/85/1401930785.db2.gz XCXPECIEBGLBGB-LBPRGKRZSA-N -1 3 329.425 2.576 20 30 EFEDHM Cn1nccc1[C@@H]1OCCC[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001553255933 1414752727 /nfs/dbraw/zinc/75/27/27/1414752727.db2.gz MGGRNNOVPLPYLQ-XJKSGUPXSA-N -1 3 349.818 2.959 20 30 EFEDHM CC(=O)c1ccc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)cc1[O-] ZINC001559046419 1415220642 /nfs/dbraw/zinc/22/06/42/1415220642.db2.gz GALBDPUCGJIAOF-UHFFFAOYSA-N -1 3 347.334 2.504 20 30 EFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cc(F)ccc3F)n2)cc1 ZINC000177993238 1424571473 /nfs/dbraw/zinc/57/14/73/1424571473.db2.gz CGGQUYNXNOTZRZ-UHFFFAOYSA-N -1 3 339.305 2.729 20 30 EFEDHM C=CCN(CCOc1ccccc1-c1nn[n-]n1)CCc1ccco1 ZINC000823903753 1427427905 /nfs/dbraw/zinc/42/79/05/1427427905.db2.gz IYUPSJCHCIYVKW-UHFFFAOYSA-N -1 3 339.399 2.569 20 30 EFEDHM C=CCN(CCOc1ccccc1-c1nnn[n-]1)CCc1ccco1 ZINC000823903753 1427427906 /nfs/dbraw/zinc/42/79/06/1427427906.db2.gz IYUPSJCHCIYVKW-UHFFFAOYSA-N -1 3 339.399 2.569 20 30 EFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccnc(C#N)c1 ZINC000824293849 1427897668 /nfs/dbraw/zinc/89/76/68/1427897668.db2.gz ZQPQQLFODWYLML-UHFFFAOYSA-N -1 3 333.399 2.544 20 30 EFEDHM C[C@H]1CN(Cc2ccccc2)CC1N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820758616 1446784295 /nfs/dbraw/zinc/78/42/95/1446784295.db2.gz AJENSUQEPTXLCG-AWEZNQCLSA-N -1 3 347.426 2.787 20 30 EFEDHM C[C@H]1CN(Cc2ccccc2)CC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820758616 1446784296 /nfs/dbraw/zinc/78/42/96/1446784296.db2.gz AJENSUQEPTXLCG-AWEZNQCLSA-N -1 3 347.426 2.787 20 30 EFEDHM C#CCCOc1ccc(CN(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823846050 1446954136 /nfs/dbraw/zinc/95/41/36/1446954136.db2.gz YERHFXSHZBVJOF-UHFFFAOYSA-N -1 3 347.422 2.901 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000975120947 715522704 /nfs/dbraw/zinc/52/27/04/715522704.db2.gz LUZSWDRYCGMTJX-MGPUTAFESA-N -1 3 344.455 2.963 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC[C@H](CNC(=O)c3ccccc3[O-])C2)C1 ZINC000975120898 715522877 /nfs/dbraw/zinc/52/28/77/715522877.db2.gz LJJDCURYEMWIDE-OAHLLOKOSA-N -1 3 342.439 2.717 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161838259 716266551 /nfs/dbraw/zinc/26/65/51/716266551.db2.gz AZZUMAABOKGEDM-VIFPVBQESA-N -1 3 335.198 2.559 20 30 EFEDHM N#Cc1ccccc1CN1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001027761205 716871966 /nfs/dbraw/zinc/87/19/66/716871966.db2.gz JCBOUKYFUGMHGP-QGZVFWFLSA-N -1 3 335.407 2.658 20 30 EFEDHM N#Cc1cnc(N[C@H]2CCN(C(=O)c3ccccc3[O-])C2)c(Cl)c1 ZINC001058832561 717227372 /nfs/dbraw/zinc/22/73/72/717227372.db2.gz YKVKCCFXXFSVDP-LBPRGKRZSA-N -1 3 342.786 2.639 20 30 EFEDHM CC1(C)CN(Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000972815447 717356429 /nfs/dbraw/zinc/35/64/29/717356429.db2.gz SVNYOSSNZOZKEK-IBGZPJMESA-N -1 3 349.434 2.904 20 30 EFEDHM O=C(c1ccccc1[O-])N1CCCN(CC#Cc2ccccc2)CC1 ZINC000980730195 717652387 /nfs/dbraw/zinc/65/23/87/717652387.db2.gz ANZDTJIBINQPMY-UHFFFAOYSA-N -1 3 334.419 2.592 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000178514027 717711848 /nfs/dbraw/zinc/71/18/48/717711848.db2.gz FZMPNLPAUNKNFO-UHFFFAOYSA-N -1 3 344.767 2.743 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3ccccc3C#N)nc21 ZINC000179710860 717849412 /nfs/dbraw/zinc/84/94/12/717849412.db2.gz SGCCULKJNJLLDM-MDZDMXLPSA-N -1 3 346.346 2.873 20 30 EFEDHM C=C(C)CN(CC)C(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000177597215 718119252 /nfs/dbraw/zinc/11/92/52/718119252.db2.gz MYVNLJRNFHDEQD-UHFFFAOYSA-N -1 3 340.423 2.855 20 30 EFEDHM C#CCCCS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000840954260 718712910 /nfs/dbraw/zinc/71/29/10/718712910.db2.gz IWBBQKDMEMXUAE-UHFFFAOYSA-N -1 3 341.404 2.936 20 30 EFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cnc([C@H]2CCCO2)s1 ZINC000330082406 720830193 /nfs/dbraw/zinc/83/01/93/720830193.db2.gz AVSARBMZFVCXRF-ZCFIWIBFSA-N -1 3 347.322 2.636 20 30 EFEDHM C#CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000162712171 720974791 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C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1F ZINC000029057351 723338010 /nfs/dbraw/zinc/33/80/10/723338010.db2.gz PDQNZLRCXIBMQM-UHFFFAOYSA-N -1 3 334.372 2.542 20 30 EFEDHM CSC1(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CC1 ZINC000896790521 723478966 /nfs/dbraw/zinc/47/89/66/723478966.db2.gz NQLKYVDZTAMBFC-UHFFFAOYSA-N -1 3 330.413 2.796 20 30 EFEDHM CN(C)c1cc(Cl)cc(Cl)c1CN[C@@H]1CCCN([O-])C1=O ZINC000895158632 723486235 /nfs/dbraw/zinc/48/62/35/723486235.db2.gz LHWXHCNFAFJFQB-GFCCVEGCSA-N -1 3 332.231 2.529 20 30 EFEDHM CC(C)(C)c1nn(-c2ccccc2)cc1CN[C@H]1CCCN([O-])C1=O ZINC000895161350 723492337 /nfs/dbraw/zinc/49/23/37/723492337.db2.gz FUUPYIAFJBTTHT-INIZCTEOSA-N -1 3 342.443 2.640 20 30 EFEDHM O=C1[C@@H](NCc2c(OC(F)F)ccc3ccccc32)CCCN1[O-] ZINC000895166242 723511437 /nfs/dbraw/zinc/51/14/37/723511437.db2.gz PMKGDSCEPQJASX-AWEZNQCLSA-N -1 3 336.338 2.911 20 30 EFEDHM C=C1CC(c2noc(-c3ccc(F)c(S(=O)(=O)[N-]C4CC4)c3)n2)C1 ZINC000896884106 723568234 /nfs/dbraw/zinc/56/82/34/723568234.db2.gz 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ZINC000988296041 726157825 /nfs/dbraw/zinc/15/78/25/726157825.db2.gz SXGAZOYBIYUELW-MGPUTAFESA-N -1 3 344.455 2.915 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2ccc3ccccc3c2)c1[O-] ZINC000731488302 726879696 /nfs/dbraw/zinc/87/96/96/726879696.db2.gz CXOVDLHANZFYID-JNQCIGHESA-N -1 3 336.391 2.894 20 30 EFEDHM N#CCC1(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000915177875 726889473 /nfs/dbraw/zinc/88/94/73/726889473.db2.gz SXQBBIQEHGUEQJ-UHFFFAOYSA-N -1 3 333.438 2.782 20 30 EFEDHM COc1cc(F)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc1F ZINC000915221363 726902746 /nfs/dbraw/zinc/90/27/46/726902746.db2.gz MWIFURDIGCRMSD-UHFFFAOYSA-N -1 3 344.383 2.582 20 30 EFEDHM C=CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC000993217463 726990406 /nfs/dbraw/zinc/99/04/06/726990406.db2.gz QTPHLPZRQPBZRJ-VLIAUNLRSA-N -1 3 342.439 2.525 20 30 EFEDHM N#Cc1ccc(NC2CCC(NC(=O)c3ccccc3[O-])CC2)nc1 ZINC001060566405 727191095 /nfs/dbraw/zinc/19/10/95/727191095.db2.gz QZCYNFYATILEEH-UHFFFAOYSA-N -1 3 336.395 2.812 20 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/nfs/dbraw/zinc/64/51/35/727645135.db2.gz DNZIULFQRVFTHQ-OYNCOLRUSA-N -1 3 339.395 2.653 20 30 EFEDHM CCC(=O)Nc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000915982772 727645352 /nfs/dbraw/zinc/64/53/52/727645352.db2.gz BSNLZZDSHKJYPS-VXLYETTFSA-N -1 3 327.384 2.556 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC#C[Si](C)(C)C ZINC000912334349 727699261 /nfs/dbraw/zinc/69/92/61/727699261.db2.gz DODMEDVCTBDZOV-UHFFFAOYSA-N -1 3 343.503 2.595 20 30 EFEDHM O=C1CNC(=O)N1Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000912961956 727762667 /nfs/dbraw/zinc/76/26/67/727762667.db2.gz JXFWGFJWFBFIBG-UHFFFAOYSA-N -1 3 343.770 2.848 20 30 EFEDHM C=CCNC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000182149586 727968859 /nfs/dbraw/zinc/96/88/59/727968859.db2.gz WIYRVZFMAUYBBF-UHFFFAOYSA-N -1 3 326.352 2.574 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2c(c1)CCC2 ZINC000060951780 728451989 /nfs/dbraw/zinc/45/19/89/728451989.db2.gz BNYXOSPDLCIASD-UHFFFAOYSA-N -1 3 336.391 2.890 20 30 EFEDHM CC(=O)c1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000060951407 728452082 /nfs/dbraw/zinc/45/20/82/728452082.db2.gz ZILOABMQXYDYSF-UHFFFAOYSA-N -1 3 338.363 2.604 20 30 EFEDHM C=CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000170710787 728467106 /nfs/dbraw/zinc/46/71/06/728467106.db2.gz AZBJBYHFPBGPIR-UHFFFAOYSA-N -1 3 335.356 2.969 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccs2)cc1OC ZINC000130030991 728642487 /nfs/dbraw/zinc/64/24/87/728642487.db2.gz AJHKWCMDUNEMKE-LLVKDONJSA-N -1 3 330.365 2.726 20 30 EFEDHM C#C[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000174472560 728666882 /nfs/dbraw/zinc/66/68/82/728666882.db2.gz XTXZTWBAKNDXMP-LBPRGKRZSA-N -1 3 347.367 2.805 20 30 EFEDHM COc1ccc(Cl)cc1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920383624 729178165 /nfs/dbraw/zinc/17/81/65/729178165.db2.gz HRHZPSMXBCQQQA-UHFFFAOYSA-N -1 3 338.816 2.802 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(C)c([N+](=O)[O-])c1 ZINC000920383933 729178339 /nfs/dbraw/zinc/17/83/39/729178339.db2.gz PNBGVBNHQMXAQS-UHFFFAOYSA-N -1 3 347.396 2.747 20 30 EFEDHM C=C(C)CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000921463602 729453621 /nfs/dbraw/zinc/45/36/21/729453621.db2.gz PUKSVPQVNSEFBC-CQSZACIVSA-N -1 3 343.420 2.704 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000938999498 729771581 /nfs/dbraw/zinc/77/15/81/729771581.db2.gz QYFCOZXAMIGQRL-CQSZACIVSA-N -1 3 330.428 2.667 20 30 EFEDHM C=CC(C)(C)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123378102 939823619 /nfs/dbraw/zinc/82/36/19/939823619.db2.gz FLHUQCVFTOPYKK-FQEVSTJZSA-N -1 3 344.455 2.824 20 30 EFEDHM C=CCCOCCCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823899150 946509275 /nfs/dbraw/zinc/50/92/75/946509275.db2.gz NPLBSOYATHUBOO-CQSZACIVSA-N -1 3 343.431 2.807 20 30 EFEDHM C=CCCOCCCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823899150 946509279 /nfs/dbraw/zinc/50/92/79/946509279.db2.gz NPLBSOYATHUBOO-CQSZACIVSA-N -1 3 343.431 2.807 20 30 EFEDHM C=CCCOCCCCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823898973 946509345 /nfs/dbraw/zinc/50/93/45/946509345.db2.gz GWQNZVLCKVKMNR-AWEZNQCLSA-N -1 3 343.431 2.807 20 30 EFEDHM C=CCCOCCCCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823898973 946509355 /nfs/dbraw/zinc/50/93/55/946509355.db2.gz GWQNZVLCKVKMNR-AWEZNQCLSA-N -1 3 343.431 2.807 20 30 EFEDHM C#C[C@@H]1CCCCN1Cc1cc(-c2nnn[n-]2)ccc1Br ZINC001573279175 946633512 /nfs/dbraw/zinc/63/35/12/946633512.db2.gz CULOIYSIEMLNSR-CYBMUJFWSA-N -1 3 346.232 2.617 20 30 EFEDHM C#C[C@@H]1CCCCN1Cc1cc(-c2nn[n-]n2)ccc1Br ZINC001573279175 946633514 /nfs/dbraw/zinc/63/35/14/946633514.db2.gz CULOIYSIEMLNSR-CYBMUJFWSA-N -1 3 346.232 2.617 20 30 EFEDHM C#CC[C@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)C1 ZINC001573284376 946744622 /nfs/dbraw/zinc/74/46/22/946744622.db2.gz AKEFGUXQZNZKCX-VIFPVBQESA-N -1 3 339.296 2.874 20 30 EFEDHM C#CC[C@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)C1 ZINC001573284376 946744632 /nfs/dbraw/zinc/74/46/32/946744632.db2.gz AKEFGUXQZNZKCX-VIFPVBQESA-N -1 3 339.296 2.874 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001573290609 946907582 /nfs/dbraw/zinc/90/75/82/946907582.db2.gz MRMPAPBNXDTZSG-QGZVFWFLSA-N -1 3 344.378 2.657 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001573290609 946907589 /nfs/dbraw/zinc/90/75/89/946907589.db2.gz MRMPAPBNXDTZSG-QGZVFWFLSA-N -1 3 344.378 2.657 20 30 EFEDHM C=C(C)CCC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001573293619 946962318 /nfs/dbraw/zinc/96/23/18/946962318.db2.gz DERACKKZBYVGFD-UHFFFAOYSA-N -1 3 336.193 2.924 20 30 EFEDHM C=C(C)CCC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001573293619 946962330 /nfs/dbraw/zinc/96/23/30/946962330.db2.gz DERACKKZBYVGFD-UHFFFAOYSA-N -1 3 336.193 2.924 20 30 EFEDHM C=C(C)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001573293634 946962731 /nfs/dbraw/zinc/96/27/31/946962731.db2.gz DTKNMRCZMKLKMY-UHFFFAOYSA-N -1 3 336.193 2.924 20 30 EFEDHM C=C(C)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001573293634 946962740 /nfs/dbraw/zinc/96/27/40/946962740.db2.gz DTKNMRCZMKLKMY-UHFFFAOYSA-N -1 3 336.193 2.924 20 30 EFEDHM C=C(C)c1cccc(NC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC001573294285 946982429 /nfs/dbraw/zinc/98/24/29/946982429.db2.gz AJKWZSQQCNLTNE-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM C=C(C)c1cccc(NC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC001573294285 946982443 /nfs/dbraw/zinc/98/24/43/946982443.db2.gz AJKWZSQQCNLTNE-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM C=C1CCC(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573295229 947012668 /nfs/dbraw/zinc/01/26/68/947012668.db2.gz BKICPIXMSRZAFJ-UHFFFAOYSA-N -1 3 343.456 2.821 20 30 EFEDHM C=C1CCC(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573295229 947012683 /nfs/dbraw/zinc/01/26/83/947012683.db2.gz BKICPIXMSRZAFJ-UHFFFAOYSA-N -1 3 343.456 2.821 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)C1 ZINC001573330131 947430911 /nfs/dbraw/zinc/43/09/11/947430911.db2.gz URYCFYXYGXPDMV-AWEZNQCLSA-N -1 3 340.431 2.673 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)C1 ZINC001573330131 947430923 /nfs/dbraw/zinc/43/09/23/947430923.db2.gz URYCFYXYGXPDMV-AWEZNQCLSA-N -1 3 340.431 2.673 20 30 EFEDHM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000826385015 948187482 /nfs/dbraw/zinc/18/74/82/948187482.db2.gz UBRBYSWZLZGKSH-XQRVVYSFSA-N -1 3 325.328 2.835 20 30 EFEDHM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000826385015 948187490 /nfs/dbraw/zinc/18/74/90/948187490.db2.gz UBRBYSWZLZGKSH-XQRVVYSFSA-N -1 3 325.328 2.835 20 30 EFEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)[C@H](C)C(C)(C)C ZINC001573756947 948825063 /nfs/dbraw/zinc/82/50/63/948825063.db2.gz WDTKNGAOUCNQNI-MNOVXSKESA-N -1 3 326.404 2.995 20 30 EFEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)[C@H](C)C(C)(C)C ZINC001573756947 948825076 /nfs/dbraw/zinc/82/50/76/948825076.db2.gz WDTKNGAOUCNQNI-MNOVXSKESA-N -1 3 326.404 2.995 20 30 EFEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001573788537 949200057 /nfs/dbraw/zinc/20/00/57/949200057.db2.gz LSOSFVFNAPPBHN-UHFFFAOYSA-N -1 3 332.367 2.655 20 30 EFEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001573788537 949200069 /nfs/dbraw/zinc/20/00/69/949200069.db2.gz LSOSFVFNAPPBHN-UHFFFAOYSA-N -1 3 332.367 2.655 20 30 EFEDHM CC(C)(C(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788768 949214195 /nfs/dbraw/zinc/21/41/95/949214195.db2.gz WXQBHNSAQLGAGO-UHFFFAOYSA-N -1 3 332.367 2.655 20 30 EFEDHM CC(C)(C(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788768 949214210 /nfs/dbraw/zinc/21/42/10/949214210.db2.gz WXQBHNSAQLGAGO-UHFFFAOYSA-N -1 3 332.367 2.655 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1sccc1C#N ZINC001575187936 952445218 /nfs/dbraw/zinc/44/52/18/952445218.db2.gz GCZCAEBBSOOOEL-SNVBAGLBSA-N -1 3 338.396 2.617 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1sccc1C#N ZINC001575187936 952445220 /nfs/dbraw/zinc/44/52/20/952445220.db2.gz GCZCAEBBSOOOEL-SNVBAGLBSA-N -1 3 338.396 2.617 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001575189694 952458950 /nfs/dbraw/zinc/45/89/50/952458950.db2.gz PVOBXFQSECWGPQ-SNVBAGLBSA-N -1 3 338.396 2.617 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001575189694 952458955 /nfs/dbraw/zinc/45/89/55/952458955.db2.gz PVOBXFQSECWGPQ-SNVBAGLBSA-N -1 3 338.396 2.617 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001588439404 958318072 /nfs/dbraw/zinc/31/80/72/958318072.db2.gz AZTYLKUBDAORSH-UHFFFAOYSA-N -1 3 345.443 2.866 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)CC1(O)CCC(C(=O)[O-])CC1 ZINC001588439818 958323981 /nfs/dbraw/zinc/32/39/81/958323981.db2.gz HLKKEWPJXVFIET-UHFFFAOYSA-N -1 3 349.475 2.848 20 30 EFEDHM COC(=O)c1cccc(CNC2(CC(=O)[O-])CCCCC2)c1C#N ZINC001574092398 962353719 /nfs/dbraw/zinc/35/37/19/962353719.db2.gz VNZNQSARXRTDFG-UHFFFAOYSA-N -1 3 330.384 2.612 20 30 EFEDHM C#Cc1ccc(NC(=O)CCN2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001573313748 962736686 /nfs/dbraw/zinc/73/66/86/962736686.db2.gz QHYSSLFKIVRMRW-UHFFFAOYSA-N -1 3 348.402 2.753 20 30 EFEDHM C=C(C)C[C@@H](NCc1cc(O)c(OC)cc1Br)C(=O)[O-] ZINC001573324023 962779526 /nfs/dbraw/zinc/77/95/26/962779526.db2.gz MBZPZEFFOWQLCB-LLVKDONJSA-N -1 3 344.205 2.672 20 30 EFEDHM N#CC1(CCCN2Cc3ccccc3[C@H](C(=O)[O-])C2)CCOCC1 ZINC001605577135 973855547 /nfs/dbraw/zinc/85/55/47/973855547.db2.gz XOEUNMUBCSOKCO-QGZVFWFLSA-N -1 3 328.412 2.771 20 30 EFEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(CC(=O)[O-])CC1 ZINC001592225596 977410765 /nfs/dbraw/zinc/41/07/65/977410765.db2.gz CTZHLVRLXWLRRJ-GFCCVEGCSA-N -1 3 347.440 2.616 20 30 EFEDHM C#C[C@@H](NCc1ccc(C(=O)[O-])cc1C(F)(F)F)C1CCOCC1 ZINC001588377741 983358397 /nfs/dbraw/zinc/35/83/97/983358397.db2.gz QFBHPPLZNVAKFE-OAHLLOKOSA-N -1 3 341.329 2.922 20 30 EFEDHM C#CC[C@@H](NCc1cc(Br)ccc1OCCC)C(=O)[O-] ZINC001588422953 983449765 /nfs/dbraw/zinc/44/97/65/983449765.db2.gz RZRYMGZKKIPUIZ-CYBMUJFWSA-N -1 3 340.217 2.804 20 30 EFEDHM C#Cc1ccc(NC(=O)CCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001588517120 983563626 /nfs/dbraw/zinc/56/36/26/983563626.db2.gz MRKDLMLTMXWWGG-IBGZPJMESA-N -1 3 348.402 2.681 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC001588615144 983710182 /nfs/dbraw/zinc/71/01/82/983710182.db2.gz LHFMTZZAFSKNPY-UHFFFAOYSA-N -1 3 336.476 2.766 20 30 EFEDHM C=C(Cl)C[C@H](N)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001588641995 983764081 /nfs/dbraw/zinc/76/40/81/983764081.db2.gz ODIRVIQGIRRJAV-ZDUSSCGKSA-N -1 3 342.848 2.803 20 30 EFEDHM C=CCCC[C@@H](N)C(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC001588787025 984185360 /nfs/dbraw/zinc/18/53/60/984185360.db2.gz SOFWPQLZHIOGQW-SECBINFHSA-N -1 3 325.434 2.761 20 30 EFEDHM C=CCN(C)CCN(CC)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001588822748 984290974 /nfs/dbraw/zinc/29/09/74/984290974.db2.gz NLDAOMHXWGUMLU-CLFYSBASSA-N -1 3 333.388 2.637 20 30 EFEDHM C=CCOC[C@@H](NCc1c(C)ccc(Br)c1F)C(=O)[O-] ZINC001588866385 984424580 /nfs/dbraw/zinc/42/45/80/984424580.db2.gz NRVHABWCGOAURZ-GFCCVEGCSA-N -1 3 346.196 2.642 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001589334588 986203235 /nfs/dbraw/zinc/20/32/35/986203235.db2.gz HDYQCVQFUSVCGX-LIRRHRJNSA-N -1 3 339.395 2.852 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001597542712 988233035 /nfs/dbraw/zinc/23/30/35/988233035.db2.gz IFNFPWQHKQIMAA-LBPRGKRZSA-N -1 3 342.376 2.970 20 30 EFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597584486 988390457 /nfs/dbraw/zinc/39/04/57/988390457.db2.gz CINQJGOWBMMUPU-QLFBSQMISA-N -1 3 342.395 2.570 20 30 EFEDHM CN(C1CCCC1)C(C)(C)C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598370436 991531746 /nfs/dbraw/zinc/53/17/46/991531746.db2.gz PDJJUGRDXSCBRW-INIZCTEOSA-N -1 3 344.411 2.880 20 30 EFEDHM CN(Cc1ccc(OCC#N)cc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598520255 992671519 /nfs/dbraw/zinc/67/15/19/992671519.db2.gz SAFWQFGJHHGNAH-UHFFFAOYSA-N -1 3 340.379 2.684 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC001593190466 994121991 /nfs/dbraw/zinc/12/19/91/994121991.db2.gz OOGSBNAHJFPCLV-BLPFDFMYSA-N -1 3 342.420 2.772 20 30 EFEDHM C[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1OCC(=O)[O-] ZINC001593270904 994599252 /nfs/dbraw/zinc/59/92/52/994599252.db2.gz BEXUJSYPKPEYTC-AWEZNQCLSA-N -1 3 340.379 2.751 20 30 EFEDHM COC1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001599087028 997116828 /nfs/dbraw/zinc/11/68/28/997116828.db2.gz YFKZWIMLCWNVLW-ZDUSSCGKSA-N -1 3 342.317 2.727 20 30 EFEDHM CC(C)(Cc1ccc(C#N)cc1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573903730 1087906093 /nfs/dbraw/zinc/90/60/93/1087906093.db2.gz CWJTWJBTKGABJA-UHFFFAOYSA-N -1 3 337.362 2.706 20 30 EFEDHM CC(C)(Cc1ccc(C#N)cc1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573903730 1087906107 /nfs/dbraw/zinc/90/61/07/1087906107.db2.gz CWJTWJBTKGABJA-UHFFFAOYSA-N -1 3 337.362 2.706 20 30 EFEDHM CCc1ccc([C@H](C#N)NC(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC001578523421 1090390491 /nfs/dbraw/zinc/39/04/91/1090390491.db2.gz LZPNGSQHZHDASV-KRWDZBQOSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1ccc([C@H](C#N)NC(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC001578523421 1090390495 /nfs/dbraw/zinc/39/04/95/1090390495.db2.gz LZPNGSQHZHDASV-KRWDZBQOSA-N -1 3 346.394 2.732 20 30 EFEDHM CN(C(=O)c1cscc1-c1nnn[n-]1)c1ccc(C#N)c(Cl)c1 ZINC001578951724 1090487121 /nfs/dbraw/zinc/48/71/21/1090487121.db2.gz LDRYZMCHVVXKMC-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1cscc1-c1nn[n-]n1)c1ccc(C#N)c(Cl)c1 ZINC001578951724 1090487127 /nfs/dbraw/zinc/48/71/27/1090487127.db2.gz LDRYZMCHVVXKMC-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001580310881 1090857973 /nfs/dbraw/zinc/85/79/73/1090857973.db2.gz ULACYAKGWJAGTN-GFCCVEGCSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001580310881 1090857979 /nfs/dbraw/zinc/85/79/79/1090857979.db2.gz ULACYAKGWJAGTN-GFCCVEGCSA-N -1 3 333.351 2.585 20 30 EFEDHM Cc1c(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC001580557977 1090947148 /nfs/dbraw/zinc/94/71/48/1090947148.db2.gz SBFDKRANXHLEOH-GFCCVEGCSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1c(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC001580557977 1090947150 /nfs/dbraw/zinc/94/71/50/1090947150.db2.gz SBFDKRANXHLEOH-GFCCVEGCSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1cc(C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)cc(C)c1C#N ZINC001580812913 1091017197 /nfs/dbraw/zinc/01/71/97/1091017197.db2.gz QDTXEUCXFUHOLJ-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)cc(C)c1C#N ZINC001580812913 1091017202 /nfs/dbraw/zinc/01/72/02/1091017202.db2.gz QDTXEUCXFUHOLJ-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(OC(=O)Cc2c(C)cc(C#N)cc2C)ccc1-c1nnn[n-]1 ZINC001581041032 1091064013 /nfs/dbraw/zinc/06/40/13/1091064013.db2.gz GRQGZBNCIBJMLW-UHFFFAOYSA-N -1 3 347.378 2.812 20 30 EFEDHM Cc1cc(OC(=O)Cc2c(C)cc(C#N)cc2C)ccc1-c1nn[n-]n1 ZINC001581041032 1091064020 /nfs/dbraw/zinc/06/40/20/1091064020.db2.gz GRQGZBNCIBJMLW-UHFFFAOYSA-N -1 3 347.378 2.812 20 30 EFEDHM N#Cc1c(F)cccc1SCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001581861509 1091322807 /nfs/dbraw/zinc/32/28/07/1091322807.db2.gz TYBMCMOWPHUJFX-UHFFFAOYSA-N -1 3 339.355 2.852 20 30 EFEDHM N#Cc1c(F)cccc1SCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001581861509 1091322813 /nfs/dbraw/zinc/32/28/13/1091322813.db2.gz TYBMCMOWPHUJFX-UHFFFAOYSA-N -1 3 339.355 2.852 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C1CC1 ZINC001581866512 1091323601 /nfs/dbraw/zinc/32/36/01/1091323601.db2.gz GYCXRLUVIKGOGY-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C1CC1 ZINC001581866512 1091323611 /nfs/dbraw/zinc/32/36/11/1091323611.db2.gz GYCXRLUVIKGOGY-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)cn1 ZINC001581869199 1091325739 /nfs/dbraw/zinc/32/57/39/1091325739.db2.gz MSIBEWOEGDMCIC-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)cn1 ZINC001581869199 1091325744 /nfs/dbraw/zinc/32/57/44/1091325744.db2.gz MSIBEWOEGDMCIC-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3cccnc3c2)cc1-c1nnn[n-]1 ZINC001581872490 1091327342 /nfs/dbraw/zinc/32/73/42/1091327342.db2.gz DEVBCVNXLDMZBU-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3cccnc3c2)cc1-c1nn[n-]n1 ZINC001581872490 1091327352 /nfs/dbraw/zinc/32/73/52/1091327352.db2.gz DEVBCVNXLDMZBU-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)cc1-c1nnn[n-]1 ZINC001581872621 1091327446 /nfs/dbraw/zinc/32/74/46/1091327446.db2.gz GAIIYQRUSTTXEY-YJBOKZPZSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)cc1-c1nn[n-]n1 ZINC001581872621 1091327454 /nfs/dbraw/zinc/32/74/54/1091327454.db2.gz GAIIYQRUSTTXEY-YJBOKZPZSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1cccc(CC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)c1 ZINC001581874915 1091328256 /nfs/dbraw/zinc/32/82/56/1091328256.db2.gz NUWLECJSQXTXJZ-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1cccc(CC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)c1 ZINC001581874915 1091328265 /nfs/dbraw/zinc/32/82/65/1091328265.db2.gz NUWLECJSQXTXJZ-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1cccc(C2(C(=O)Nc3cc(F)cc(-c4nnn[n-]4)c3)CC2)c1 ZINC001581874690 1091329774 /nfs/dbraw/zinc/32/97/74/1091329774.db2.gz CPTZOSWYYAZZGI-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cccc(C2(C(=O)Nc3cc(F)cc(-c4nn[n-]n4)c3)CC2)c1 ZINC001581874690 1091329785 /nfs/dbraw/zinc/32/97/85/1091329785.db2.gz CPTZOSWYYAZZGI-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCSc1ccccn1 ZINC001581874522 1091329861 /nfs/dbraw/zinc/32/98/61/1091329861.db2.gz VFDHODVOVQGMHG-UHFFFAOYSA-N -1 3 337.412 2.728 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCSc1ccccn1 ZINC001581874522 1091329872 /nfs/dbraw/zinc/32/98/72/1091329872.db2.gz VFDHODVOVQGMHG-UHFFFAOYSA-N -1 3 337.412 2.728 20 30 EFEDHM N#Cc1ncn(Cc2cc(Cl)cc3ccccc32)c1-c1nnn[n-]1 ZINC001581885473 1091332202 /nfs/dbraw/zinc/33/22/02/1091332202.db2.gz AMOVXWVRZGMRLU-UHFFFAOYSA-N -1 3 335.758 2.790 20 30 EFEDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC#N)cc3)ccc2O1 ZINC001649698582 1092595219 /nfs/dbraw/zinc/59/52/19/1092595219.db2.gz ZYUKPOMIZVZBNI-GFCCVEGCSA-N -1 3 344.392 2.713 20 30 EFEDHM C#C[C@@](C)(CC)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588325774 1092924200 /nfs/dbraw/zinc/92/42/00/1092924200.db2.gz VJSHXQIADQMKSR-SFHVURJKSA-N -1 3 337.427 2.597 20 30 EFEDHM C#C[C@@](C)(CC)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588325774 1092924209 /nfs/dbraw/zinc/92/42/09/1092924209.db2.gz VJSHXQIADQMKSR-SFHVURJKSA-N -1 3 337.427 2.597 20 30 EFEDHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC001588329273 1092924684 /nfs/dbraw/zinc/92/46/84/1092924684.db2.gz CBGWABMMJMNOOD-HNNXBMFYSA-N -1 3 337.770 2.624 20 30 EFEDHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC001588329273 1092924690 /nfs/dbraw/zinc/92/46/90/1092924690.db2.gz CBGWABMMJMNOOD-HNNXBMFYSA-N -1 3 337.770 2.624 20 30 EFEDHM C#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588327959 1092925412 /nfs/dbraw/zinc/92/54/12/1092925412.db2.gz VRUMESQHLHTBKB-KQPPXVQYSA-N -1 3 347.353 2.510 20 30 EFEDHM C#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588327959 1092925421 /nfs/dbraw/zinc/92/54/21/1092925421.db2.gz VRUMESQHLHTBKB-KQPPXVQYSA-N -1 3 347.353 2.510 20 30 EFEDHM C#CC1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)CC1 ZINC001588331106 1092925660 /nfs/dbraw/zinc/92/56/60/1092925660.db2.gz OBPIFDAEBZHUTK-UHFFFAOYSA-N -1 3 339.296 2.874 20 30 EFEDHM C#CC1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)CC1 ZINC001588331106 1092925669 /nfs/dbraw/zinc/92/56/69/1092925669.db2.gz OBPIFDAEBZHUTK-UHFFFAOYSA-N -1 3 339.296 2.874 20 30 EFEDHM C#CC[C@@H](CCOC)Nc1nc2ccccc2c(C)c1-c1nnn[n-]1 ZINC001588330832 1092925993 /nfs/dbraw/zinc/92/59/93/1092925993.db2.gz FSINWKBLHQXSRR-ZDUSSCGKSA-N -1 3 336.399 2.564 20 30 EFEDHM C#CC[C@@H](CCOC)Nc1nc2ccccc2c(C)c1-c1nn[n-]n1 ZINC001588330832 1092926002 /nfs/dbraw/zinc/92/60/02/1092926002.db2.gz FSINWKBLHQXSRR-ZDUSSCGKSA-N -1 3 336.399 2.564 20 30 EFEDHM C#C[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001588326286 1092926092 /nfs/dbraw/zinc/92/60/92/1092926092.db2.gz IYFKUHNQBYRXCH-GFCCVEGCSA-N -1 3 349.419 2.769 20 30 EFEDHM C#C[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001588326286 1092926106 /nfs/dbraw/zinc/92/61/06/1092926106.db2.gz IYFKUHNQBYRXCH-GFCCVEGCSA-N -1 3 349.419 2.769 20 30 EFEDHM C#C[C@@H](OC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C)C1CC1 ZINC001588328713 1092926596 /nfs/dbraw/zinc/92/65/96/1092926596.db2.gz OMKDJMFVGLIESN-CYBMUJFWSA-N -1 3 338.392 2.958 20 30 EFEDHM C#C[C@@H](OC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C)C1CC1 ZINC001588328713 1092926604 /nfs/dbraw/zinc/92/66/04/1092926604.db2.gz OMKDJMFVGLIESN-CYBMUJFWSA-N -1 3 338.392 2.958 20 30 EFEDHM C#C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC001588333121 1092928082 /nfs/dbraw/zinc/92/80/82/1092928082.db2.gz YPOVGJLJCKGIPX-LLVKDONJSA-N -1 3 338.802 2.918 20 30 EFEDHM C#C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC001588333121 1092928093 /nfs/dbraw/zinc/92/80/93/1092928093.db2.gz YPOVGJLJCKGIPX-LLVKDONJSA-N -1 3 338.802 2.918 20 30 EFEDHM C#CC[C@H]1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588336581 1092928356 /nfs/dbraw/zinc/92/83/56/1092928356.db2.gz CCIYGQRWGOLPMH-JTQLQIEISA-N -1 3 346.847 2.562 20 30 EFEDHM C#CC[C@H]1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588336581 1092928363 /nfs/dbraw/zinc/92/83/63/1092928363.db2.gz CCIYGQRWGOLPMH-JTQLQIEISA-N -1 3 346.847 2.562 20 30 EFEDHM C#CCC1(NC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CCC1 ZINC001588334655 1092930381 /nfs/dbraw/zinc/93/03/81/1092930381.db2.gz FIMKQMBOEWFXFX-UHFFFAOYSA-N -1 3 336.399 2.812 20 30 EFEDHM C#CCC1(NC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CCC1 ZINC001588334655 1092930389 /nfs/dbraw/zinc/93/03/89/1092930389.db2.gz FIMKQMBOEWFXFX-UHFFFAOYSA-N -1 3 336.399 2.812 20 30 EFEDHM C#CCCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001588344216 1092930722 /nfs/dbraw/zinc/93/07/22/1092930722.db2.gz IGOCIGZWZUDODA-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM C#CCCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001588344216 1092930733 /nfs/dbraw/zinc/93/07/33/1092930733.db2.gz IGOCIGZWZUDODA-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM C#CCOCCSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC001588363394 1092932362 /nfs/dbraw/zinc/93/23/62/1092932362.db2.gz CQXKUGRSKXEXIE-UHFFFAOYSA-N -1 3 337.408 2.671 20 30 EFEDHM C#CCOCCSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC001588363394 1092932372 /nfs/dbraw/zinc/93/23/72/1092932372.db2.gz CQXKUGRSKXEXIE-UHFFFAOYSA-N -1 3 337.408 2.671 20 30 EFEDHM C#CCOc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588363029 1092932643 /nfs/dbraw/zinc/93/26/43/1092932643.db2.gz GILCAQOAWHIGGX-QXMHVHEDSA-N -1 3 345.362 2.531 20 30 EFEDHM C#CCOc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588363029 1092932654 /nfs/dbraw/zinc/93/26/54/1092932654.db2.gz GILCAQOAWHIGGX-QXMHVHEDSA-N -1 3 345.362 2.531 20 30 EFEDHM C#Cc1ccc(Nc2ncc(Br)cc2-c2nnn[n-]2)cc1 ZINC001588374777 1092934392 /nfs/dbraw/zinc/93/43/92/1092934392.db2.gz NJUDBWFFYWGZQN-UHFFFAOYSA-N -1 3 341.172 2.749 20 30 EFEDHM C#Cc1ccc(Nc2ncc(Br)cc2-c2nn[n-]n2)cc1 ZINC001588374777 1092934399 /nfs/dbraw/zinc/93/43/99/1092934399.db2.gz NJUDBWFFYWGZQN-UHFFFAOYSA-N -1 3 341.172 2.749 20 30 EFEDHM c1ccc2c(N=NCCCc3ccc(-c4nnn[n-]4)cc3)ccnc2c1 ZINC001588384265 1092936905 /nfs/dbraw/zinc/93/69/05/1092936905.db2.gz BFTGRCQPIFACTK-UHFFFAOYSA-N -1 3 343.394 2.867 20 30 EFEDHM c1ccc2c(N=NCCCc3ccc(-c4nn[n-]n4)cc3)ccnc2c1 ZINC001588384265 1092936917 /nfs/dbraw/zinc/93/69/17/1092936917.db2.gz BFTGRCQPIFACTK-UHFFFAOYSA-N -1 3 343.394 2.867 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C)OCC ZINC001588400605 1092939872 /nfs/dbraw/zinc/93/98/72/1092939872.db2.gz BNKFPKWLVJPVIR-AWEZNQCLSA-N -1 3 333.367 2.624 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C)OCC ZINC001588400605 1092939883 /nfs/dbraw/zinc/93/98/83/1092939883.db2.gz BNKFPKWLVJPVIR-AWEZNQCLSA-N -1 3 333.367 2.624 20 30 EFEDHM C=C(C)C[C@@H](CO)Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588404779 1092942858 /nfs/dbraw/zinc/94/28/58/1092942858.db2.gz KIURISVXRAXPOE-JTQLQIEISA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)C[C@@H](CO)Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588404779 1092942865 /nfs/dbraw/zinc/94/28/65/1092942865.db2.gz KIURISVXRAXPOE-JTQLQIEISA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)CN(C)c1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001588425564 1092945155 /nfs/dbraw/zinc/94/51/55/1092945155.db2.gz ISRLYMLFEAPGHX-UHFFFAOYSA-N -1 3 334.305 2.845 20 30 EFEDHM C=C(C)CN(C)c1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001588425564 1092945160 /nfs/dbraw/zinc/94/51/60/1092945160.db2.gz ISRLYMLFEAPGHX-UHFFFAOYSA-N -1 3 334.305 2.845 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588455591 1092946215 /nfs/dbraw/zinc/94/62/15/1092946215.db2.gz ALBFNPTXCIZTOG-AOOOYVTPSA-N -1 3 330.323 2.601 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588455591 1092946224 /nfs/dbraw/zinc/94/62/24/1092946224.db2.gz ALBFNPTXCIZTOG-AOOOYVTPSA-N -1 3 330.323 2.601 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001588456050 1092946776 /nfs/dbraw/zinc/94/67/76/1092946776.db2.gz HHCKDYZPCXQXFP-AOOOYVTPSA-N -1 3 347.220 2.712 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001588456050 1092946784 /nfs/dbraw/zinc/94/67/84/1092946784.db2.gz HHCKDYZPCXQXFP-AOOOYVTPSA-N -1 3 347.220 2.712 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001588448966 1092947546 /nfs/dbraw/zinc/94/75/46/1092947546.db2.gz IFNRNIBUKBFWMQ-UHFFFAOYSA-N -1 3 335.411 2.839 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001588448966 1092947557 /nfs/dbraw/zinc/94/75/57/1092947557.db2.gz IFNRNIBUKBFWMQ-UHFFFAOYSA-N -1 3 335.411 2.839 20 30 EFEDHM C=C(CC)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588441948 1092947682 /nfs/dbraw/zinc/94/76/82/1092947682.db2.gz KHGROSNAQDWBNU-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=C(CC)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588441948 1092947691 /nfs/dbraw/zinc/94/76/91/1092947691.db2.gz KHGROSNAQDWBNU-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=C(CNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12)c1ccccc1 ZINC001588443978 1092947921 /nfs/dbraw/zinc/94/79/21/1092947921.db2.gz CVVZCLGOTFBMQB-UHFFFAOYSA-N -1 3 344.378 2.791 20 30 EFEDHM C=C(CNC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12)c1ccccc1 ZINC001588443978 1092947923 /nfs/dbraw/zinc/94/79/23/1092947923.db2.gz CVVZCLGOTFBMQB-UHFFFAOYSA-N -1 3 344.378 2.791 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588456817 1092948009 /nfs/dbraw/zinc/94/80/09/1092948009.db2.gz WQOCNIKTIJVGGA-TXEJJXNPSA-N -1 3 329.791 2.843 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588456817 1092948019 /nfs/dbraw/zinc/94/80/19/1092948019.db2.gz WQOCNIKTIJVGGA-TXEJJXNPSA-N -1 3 329.791 2.843 20 30 EFEDHM C=CC(C)(C)CC(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC001588486082 1092949489 /nfs/dbraw/zinc/94/94/89/1092949489.db2.gz CGJGEZLHPACRIN-UHFFFAOYSA-N -1 3 339.403 2.777 20 30 EFEDHM C=CC(C)(C)CC(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC001588486082 1092949494 /nfs/dbraw/zinc/94/94/94/1092949494.db2.gz CGJGEZLHPACRIN-UHFFFAOYSA-N -1 3 339.403 2.777 20 30 EFEDHM C=C1CCC(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001588462073 1092950729 /nfs/dbraw/zinc/95/07/29/1092950729.db2.gz CNZOOBDLOBEPQN-UHFFFAOYSA-N -1 3 330.367 2.874 20 30 EFEDHM C=C1CCC(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001588462073 1092950734 /nfs/dbraw/zinc/95/07/34/1092950734.db2.gz CNZOOBDLOBEPQN-UHFFFAOYSA-N -1 3 330.367 2.874 20 30 EFEDHM C=C[C@](C)(CC)COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588495376 1092951731 /nfs/dbraw/zinc/95/17/31/1092951731.db2.gz CTCAPDYDAMFCRL-YVEFUNNKSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@](C)(CC)COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588495376 1092951738 /nfs/dbraw/zinc/95/17/38/1092951738.db2.gz CTCAPDYDAMFCRL-YVEFUNNKSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@@](C)(CC)COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588495373 1092952123 /nfs/dbraw/zinc/95/21/23/1092952123.db2.gz CTCAPDYDAMFCRL-PXAZEXFGSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@@](C)(CC)COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588495373 1092952131 /nfs/dbraw/zinc/95/21/31/1092952131.db2.gz CTCAPDYDAMFCRL-PXAZEXFGSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588493088 1092952355 /nfs/dbraw/zinc/95/23/55/1092952355.db2.gz AGXHTBZILYIUAS-PIGZYNQJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588493088 1092952365 /nfs/dbraw/zinc/95/23/65/1092952365.db2.gz AGXHTBZILYIUAS-PIGZYNQJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@@](C)(CC)c1nnc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588496159 1092952594 /nfs/dbraw/zinc/95/25/94/1092952594.db2.gz OHNXPKUNXIIKLE-INIZCTEOSA-N -1 3 326.360 2.682 20 30 EFEDHM C=CC(C)(C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588487783 1092952904 /nfs/dbraw/zinc/95/29/04/1092952904.db2.gz BHZVNJRHKNRMDE-UHFFFAOYSA-N -1 3 325.332 2.700 20 30 EFEDHM C=CC(C)(C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588487783 1092952914 /nfs/dbraw/zinc/95/29/14/1092952914.db2.gz BHZVNJRHKNRMDE-UHFFFAOYSA-N -1 3 325.332 2.700 20 30 EFEDHM C=CC(C)(C)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588488240 1092952985 /nfs/dbraw/zinc/95/29/85/1092952985.db2.gz GNPZQKIFDPFJRK-UHFFFAOYSA-N -1 3 325.416 2.759 20 30 EFEDHM C=CC(C)(C)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588488240 1092952986 /nfs/dbraw/zinc/95/29/86/1092952986.db2.gz GNPZQKIFDPFJRK-UHFFFAOYSA-N -1 3 325.416 2.759 20 30 EFEDHM C=CC(C)(C)COC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588487855 1092953595 /nfs/dbraw/zinc/95/35/95/1092953595.db2.gz BRQGQAYVUXZVAM-UHFFFAOYSA-N -1 3 330.363 2.793 20 30 EFEDHM C=CC(C)(C)COC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588487855 1092953601 /nfs/dbraw/zinc/95/36/01/1092953601.db2.gz BRQGQAYVUXZVAM-UHFFFAOYSA-N -1 3 330.363 2.793 20 30 EFEDHM C=CC(C)(C)CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588488000 1092953627 /nfs/dbraw/zinc/95/36/27/1092953627.db2.gz DLFGOWQAMJTREE-UHFFFAOYSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CC(C)(C)CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588488000 1092953633 /nfs/dbraw/zinc/95/36/33/1092953633.db2.gz DLFGOWQAMJTREE-UHFFFAOYSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCC(C)(C)c1noc(-c2cc(-c3nnn[n-]3)cc(N(C)C)c2)n1 ZINC001588539262 1092954311 /nfs/dbraw/zinc/95/43/11/1092954311.db2.gz DLFTXXKLWGJTLE-UHFFFAOYSA-N -1 3 339.403 2.836 20 30 EFEDHM C=CCC(C)(C)c1noc(-c2cc(-c3nn[n-]n3)cc(N(C)C)c2)n1 ZINC001588539262 1092954317 /nfs/dbraw/zinc/95/43/17/1092954317.db2.gz DLFTXXKLWGJTLE-UHFFFAOYSA-N -1 3 339.403 2.836 20 30 EFEDHM C=CC[C@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001588541800 1092954637 /nfs/dbraw/zinc/95/46/37/1092954637.db2.gz SPLQXNPGVASXGQ-LBPRGKRZSA-N -1 3 331.424 2.899 20 30 EFEDHM C=CC[C@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001588541800 1092954646 /nfs/dbraw/zinc/95/46/46/1092954646.db2.gz SPLQXNPGVASXGQ-LBPRGKRZSA-N -1 3 331.424 2.899 20 30 EFEDHM C=CCC(C)(C)c1noc(COc2ccccc2-c2nnn[n-]2)n1 ZINC001588539481 1092954959 /nfs/dbraw/zinc/95/49/59/1092954959.db2.gz MYMSIAMMIWGUHS-UHFFFAOYSA-N -1 3 326.360 2.682 20 30 EFEDHM C=CCC(C)(C)c1noc(COc2ccccc2-c2nn[n-]n2)n1 ZINC001588539481 1092954966 /nfs/dbraw/zinc/95/49/66/1092954966.db2.gz MYMSIAMMIWGUHS-UHFFFAOYSA-N -1 3 326.360 2.682 20 30 EFEDHM C=CC[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588531070 1092955789 /nfs/dbraw/zinc/95/57/89/1092955789.db2.gz YDMRYLKQXGQSPP-KRWDZBQOSA-N -1 3 333.395 2.843 20 30 EFEDHM C=CC[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588531070 1092955799 /nfs/dbraw/zinc/95/57/99/1092955799.db2.gz YDMRYLKQXGQSPP-KRWDZBQOSA-N -1 3 333.395 2.843 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001588541820 1092955879 /nfs/dbraw/zinc/95/58/79/1092955879.db2.gz SVJOYFSTVRCJLT-GFCCVEGCSA-N -1 3 343.435 2.717 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001588541820 1092955889 /nfs/dbraw/zinc/95/58/89/1092955889.db2.gz SVJOYFSTVRCJLT-GFCCVEGCSA-N -1 3 343.435 2.717 20 30 EFEDHM C=CC1CCN(C(=O)C(C)(C)c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588527646 1092956049 /nfs/dbraw/zinc/95/60/49/1092956049.db2.gz RJLJHGHRCAABKN-UHFFFAOYSA-N -1 3 343.406 2.708 20 30 EFEDHM C=CC1CCN(C(=O)C(C)(C)c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588527646 1092956056 /nfs/dbraw/zinc/95/60/56/1092956056.db2.gz RJLJHGHRCAABKN-UHFFFAOYSA-N -1 3 343.406 2.708 20 30 EFEDHM C=CCC(F)(F)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588546013 1092957657 /nfs/dbraw/zinc/95/76/57/1092957657.db2.gz USPKVYLINBUCTO-UHFFFAOYSA-N -1 3 327.722 2.694 20 30 EFEDHM C=CCC(F)(F)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588546013 1092957667 /nfs/dbraw/zinc/95/76/67/1092957667.db2.gz USPKVYLINBUCTO-UHFFFAOYSA-N -1 3 327.722 2.694 20 30 EFEDHM C=CCC1(C(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CCOCC1 ZINC001588557131 1092958182 /nfs/dbraw/zinc/95/81/82/1092958182.db2.gz ZCBVLQPVWOEAHI-UHFFFAOYSA-N -1 3 347.444 2.856 20 30 EFEDHM C=CCC1(C(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CCOCC1 ZINC001588557131 1092958191 /nfs/dbraw/zinc/95/81/91/1092958191.db2.gz ZCBVLQPVWOEAHI-UHFFFAOYSA-N -1 3 347.444 2.856 20 30 EFEDHM C=CCC1(C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001588556025 1092959134 /nfs/dbraw/zinc/95/91/34/1092959134.db2.gz AEPPANYVFLPCIE-CYBMUJFWSA-N -1 3 342.399 2.924 20 30 EFEDHM C=CCC1(C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001588556025 1092959145 /nfs/dbraw/zinc/95/91/45/1092959145.db2.gz AEPPANYVFLPCIE-CYBMUJFWSA-N -1 3 342.399 2.924 20 30 EFEDHM C=CCC1(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001588557676 1092959596 /nfs/dbraw/zinc/95/95/96/1092959596.db2.gz SONYXMRBGKTGNP-UHFFFAOYSA-N -1 3 325.416 2.804 20 30 EFEDHM C=CCC1(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001588557676 1092959608 /nfs/dbraw/zinc/95/96/08/1092959608.db2.gz SONYXMRBGKTGNP-UHFFFAOYSA-N -1 3 325.416 2.804 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588559332 1092961256 /nfs/dbraw/zinc/96/12/56/1092961256.db2.gz JFXBAFFMGYQQFC-NHYWBVRUSA-N -1 3 329.379 2.871 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588559332 1092961266 /nfs/dbraw/zinc/96/12/66/1092961266.db2.gz JFXBAFFMGYQQFC-NHYWBVRUSA-N -1 3 329.379 2.871 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588560540 1092961864 /nfs/dbraw/zinc/96/18/64/1092961864.db2.gz SEYRKUXPLRGEQQ-XJKSGUPXSA-N -1 3 340.431 2.530 20 30 EFEDHM C=CCCCC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001588586065 1092963672 /nfs/dbraw/zinc/96/36/72/1092963672.db2.gz CWFMYCTUUQHNKM-CYBMUJFWSA-N -1 3 339.321 2.943 20 30 EFEDHM C=CCCCC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001588586065 1092963684 /nfs/dbraw/zinc/96/36/84/1092963684.db2.gz CWFMYCTUUQHNKM-CYBMUJFWSA-N -1 3 339.321 2.943 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588580025 1092963880 /nfs/dbraw/zinc/96/38/80/1092963880.db2.gz XOYHSJHZIZXSKM-ZFWWWQNUSA-N -1 3 341.415 2.591 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588578993 1092964640 /nfs/dbraw/zinc/96/46/40/1092964640.db2.gz IJKXLVAQTYSACJ-HNNXBMFYSA-N -1 3 326.404 2.507 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588578993 1092964648 /nfs/dbraw/zinc/96/46/48/1092964648.db2.gz IJKXLVAQTYSACJ-HNNXBMFYSA-N -1 3 326.404 2.507 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588581991 1092964900 /nfs/dbraw/zinc/96/49/00/1092964900.db2.gz CXXOOPHAHWPHHJ-GFCCVEGCSA-N -1 3 336.399 2.919 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588578994 1092965265 /nfs/dbraw/zinc/96/52/65/1092965265.db2.gz IJKXLVAQTYSACJ-OAHLLOKOSA-N -1 3 326.404 2.507 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588578994 1092965272 /nfs/dbraw/zinc/96/52/72/1092965272.db2.gz IJKXLVAQTYSACJ-OAHLLOKOSA-N -1 3 326.404 2.507 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588593428 1092965321 /nfs/dbraw/zinc/96/53/21/1092965321.db2.gz BVWPSKRLGWLTHQ-ZDUSSCGKSA-N -1 3 325.416 2.759 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588593428 1092965332 /nfs/dbraw/zinc/96/53/32/1092965332.db2.gz BVWPSKRLGWLTHQ-ZDUSSCGKSA-N -1 3 325.416 2.759 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588582933 1092965444 /nfs/dbraw/zinc/96/54/44/1092965444.db2.gz RRZQJFIMZIVHKR-CYBMUJFWSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588582933 1092965452 /nfs/dbraw/zinc/96/54/52/1092965452.db2.gz RRZQJFIMZIVHKR-CYBMUJFWSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCCCCCCNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588594548 1092966187 /nfs/dbraw/zinc/96/61/87/1092966187.db2.gz VXRUTVNDPNRNTA-CQSZACIVSA-N -1 3 343.431 2.887 20 30 EFEDHM C=CCCCCCCNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588594548 1092966202 /nfs/dbraw/zinc/96/62/02/1092966202.db2.gz VXRUTVNDPNRNTA-CQSZACIVSA-N -1 3 343.431 2.887 20 30 EFEDHM C=CCCCCNC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588595941 1092966539 /nfs/dbraw/zinc/96/65/39/1092966539.db2.gz BDTSUVCYMHWZSE-UHFFFAOYSA-N -1 3 331.395 2.756 20 30 EFEDHM C=CCCCCNC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588595941 1092966547 /nfs/dbraw/zinc/96/65/47/1092966547.db2.gz BDTSUVCYMHWZSE-UHFFFAOYSA-N -1 3 331.395 2.756 20 30 EFEDHM C=CCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001588593889 1092967502 /nfs/dbraw/zinc/96/75/02/1092967502.db2.gz KNPVHFAZAQGOCA-UHFFFAOYSA-N -1 3 334.811 2.781 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001588609051 1092967697 /nfs/dbraw/zinc/96/76/97/1092967697.db2.gz TXOCLOZPNBTVLP-ZDUSSCGKSA-N -1 3 341.415 2.733 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001588609051 1092967704 /nfs/dbraw/zinc/96/77/04/1092967704.db2.gz TXOCLOZPNBTVLP-ZDUSSCGKSA-N -1 3 341.415 2.733 20 30 EFEDHM C=CCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588625280 1092968960 /nfs/dbraw/zinc/96/89/60/1092968960.db2.gz FNHHUHQSNNDWSX-AWEZNQCLSA-N -1 3 349.394 2.853 20 30 EFEDHM C=CCCO[C@H](C)C(=O)OCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001588610994 1092969152 /nfs/dbraw/zinc/96/91/52/1092969152.db2.gz PFDQHGCVXLQDLP-SNVBAGLBSA-N -1 3 336.779 2.545 20 30 EFEDHM C=CCCO[C@H](C)C(=O)OCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001588610994 1092969157 /nfs/dbraw/zinc/96/91/57/1092969157.db2.gz PFDQHGCVXLQDLP-SNVBAGLBSA-N -1 3 336.779 2.545 20 30 EFEDHM C=CCCSCCNC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588618058 1092969312 /nfs/dbraw/zinc/96/93/12/1092969312.db2.gz QECMAZTUDVDQJV-UHFFFAOYSA-N -1 3 338.462 2.667 20 30 EFEDHM C=CCCSCCNC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588618058 1092969317 /nfs/dbraw/zinc/96/93/17/1092969317.db2.gz QECMAZTUDVDQJV-UHFFFAOYSA-N -1 3 338.462 2.667 20 30 EFEDHM C=CCN(C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1)C1CC1 ZINC001588625730 1092969477 /nfs/dbraw/zinc/96/94/77/1092969477.db2.gz NYHBHFITSSSBAW-UHFFFAOYSA-N -1 3 337.427 2.856 20 30 EFEDHM C=CCN(C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1)C1CC1 ZINC001588625730 1092969486 /nfs/dbraw/zinc/96/94/86/1092969486.db2.gz NYHBHFITSSSBAW-UHFFFAOYSA-N -1 3 337.427 2.856 20 30 EFEDHM C=CCCO[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588610588 1092969508 /nfs/dbraw/zinc/96/95/08/1092969508.db2.gz ICZSZASYSFLWLF-SNVBAGLBSA-N -1 3 336.779 2.545 20 30 EFEDHM C=CCCO[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588610588 1092969517 /nfs/dbraw/zinc/96/95/17/1092969517.db2.gz ICZSZASYSFLWLF-SNVBAGLBSA-N -1 3 336.779 2.545 20 30 EFEDHM C=CCCONC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588617867 1092970052 /nfs/dbraw/zinc/97/00/52/1092970052.db2.gz FBZAWGHASMFIHE-UHFFFAOYSA-N -1 3 329.385 2.627 20 30 EFEDHM C=CCCONC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588617867 1092970059 /nfs/dbraw/zinc/97/00/59/1092970059.db2.gz FBZAWGHASMFIHE-UHFFFAOYSA-N -1 3 329.385 2.627 20 30 EFEDHM C=CCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588625282 1092970621 /nfs/dbraw/zinc/97/06/21/1092970621.db2.gz FNHHUHQSNNDWSX-CQSZACIVSA-N -1 3 349.394 2.853 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001588638421 1092971799 /nfs/dbraw/zinc/97/17/99/1092971799.db2.gz CCTDMVAYMSQWCR-BASLNEPJSA-N -1 3 337.427 2.673 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC001588638421 1092971806 /nfs/dbraw/zinc/97/18/06/1092971806.db2.gz CCTDMVAYMSQWCR-BASLNEPJSA-N -1 3 337.427 2.673 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C1(C)CC1 ZINC001588640595 1092971889 /nfs/dbraw/zinc/97/18/89/1092971889.db2.gz VLFWIJPXFRNSRL-ZDUSSCGKSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C1(C)CC1 ZINC001588640595 1092971897 /nfs/dbraw/zinc/97/18/97/1092971897.db2.gz VLFWIJPXFRNSRL-ZDUSSCGKSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(CC=C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588631647 1092972091 /nfs/dbraw/zinc/97/20/91/1092972091.db2.gz KGJSFIUZOXOOFB-UHFFFAOYSA-N -1 3 337.427 2.879 20 30 EFEDHM C=CCN(CC=C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588631647 1092972096 /nfs/dbraw/zinc/97/20/96/1092972096.db2.gz KGJSFIUZOXOOFB-UHFFFAOYSA-N -1 3 337.427 2.879 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1occ(C)c1C ZINC001588649052 1092974195 /nfs/dbraw/zinc/97/41/95/1092974195.db2.gz YBGXTMODBNRJTF-UHFFFAOYSA-N -1 3 337.383 2.905 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1occ(C)c1C ZINC001588649052 1092974203 /nfs/dbraw/zinc/97/42/03/1092974203.db2.gz YBGXTMODBNRJTF-UHFFFAOYSA-N -1 3 337.383 2.905 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)s1 ZINC001588648861 1092975705 /nfs/dbraw/zinc/97/57/05/1092975705.db2.gz VUGSBBMUWIXTHY-UHFFFAOYSA-N -1 3 343.387 2.896 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)s1 ZINC001588648861 1092975714 /nfs/dbraw/zinc/97/57/14/1092975714.db2.gz VUGSBBMUWIXTHY-UHFFFAOYSA-N -1 3 343.387 2.896 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C)c(C)n1 ZINC001588648680 1092976512 /nfs/dbraw/zinc/97/65/12/1092976512.db2.gz TXUPZECCZIABHZ-UHFFFAOYSA-N -1 3 348.410 2.707 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C)c(C)n1 ZINC001588648680 1092976524 /nfs/dbraw/zinc/97/65/24/1092976524.db2.gz TXUPZECCZIABHZ-UHFFFAOYSA-N -1 3 348.410 2.707 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1OC ZINC001588647885 1092976885 /nfs/dbraw/zinc/97/68/85/1092976885.db2.gz FRZRXHFTRVCJCB-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccccc1OC ZINC001588647885 1092976892 /nfs/dbraw/zinc/97/68/92/1092976892.db2.gz FRZRXHFTRVCJCB-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588653704 1092976988 /nfs/dbraw/zinc/97/69/88/1092976988.db2.gz VFYHMTMLWPRJKQ-UHFFFAOYSA-N -1 3 341.400 2.543 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588653704 1092976994 /nfs/dbraw/zinc/97/69/94/1092976994.db2.gz VFYHMTMLWPRJKQ-UHFFFAOYSA-N -1 3 341.400 2.543 20 30 EFEDHM C=CCOCCCC(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001588682655 1092978511 /nfs/dbraw/zinc/97/85/11/1092978511.db2.gz OVERUIDABMFLDU-UHFFFAOYSA-N -1 3 337.383 2.941 20 30 EFEDHM C=CCOCCCC(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001588682655 1092978516 /nfs/dbraw/zinc/97/85/16/1092978516.db2.gz OVERUIDABMFLDU-UHFFFAOYSA-N -1 3 337.383 2.941 20 30 EFEDHM C=CCOCCOC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588689216 1092978662 /nfs/dbraw/zinc/97/86/62/1092978662.db2.gz IXAQRLZORAEHTE-UHFFFAOYSA-N -1 3 344.396 2.749 20 30 EFEDHM C=CCOCCOC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588689216 1092978667 /nfs/dbraw/zinc/97/86/67/1092978667.db2.gz IXAQRLZORAEHTE-UHFFFAOYSA-N -1 3 344.396 2.749 20 30 EFEDHM C=CCOCCCC(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001588682053 1092979028 /nfs/dbraw/zinc/97/90/28/1092979028.db2.gz UPIDPOJIGRBWPE-UHFFFAOYSA-N -1 3 341.415 2.735 20 30 EFEDHM C=CCOCCCC(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001588682053 1092979030 /nfs/dbraw/zinc/97/90/30/1092979030.db2.gz UPIDPOJIGRBWPE-UHFFFAOYSA-N -1 3 341.415 2.735 20 30 EFEDHM C=CCOCCCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588683160 1092979077 /nfs/dbraw/zinc/97/90/77/1092979077.db2.gz YUWVIDIZKYQPQQ-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=CCOCCCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588683160 1092979087 /nfs/dbraw/zinc/97/90/87/1092979087.db2.gz YUWVIDIZKYQPQQ-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=CCc1ccccc1OC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588695200 1092980740 /nfs/dbraw/zinc/98/07/40/1092980740.db2.gz QXOUGQLBGAKFME-UHFFFAOYSA-N -1 3 336.351 2.580 20 30 EFEDHM C=CCc1ccccc1OC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588695200 1092980748 /nfs/dbraw/zinc/98/07/48/1092980748.db2.gz QXOUGQLBGAKFME-UHFFFAOYSA-N -1 3 336.351 2.580 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC001588690102 1092981769 /nfs/dbraw/zinc/98/17/69/1092981769.db2.gz SREKURPPHICRPQ-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC001588690102 1092981774 /nfs/dbraw/zinc/98/17/74/1092981774.db2.gz SREKURPPHICRPQ-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM CC#CCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588746214 1092982775 /nfs/dbraw/zinc/98/27/75/1092982775.db2.gz NXTDFSXTSMDMGJ-UHFFFAOYSA-N -1 3 349.350 2.624 20 30 EFEDHM CC#CCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588746214 1092982782 /nfs/dbraw/zinc/98/27/82/1092982782.db2.gz NXTDFSXTSMDMGJ-UHFFFAOYSA-N -1 3 349.350 2.624 20 30 EFEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC001588777425 1092991449 /nfs/dbraw/zinc/99/14/49/1092991449.db2.gz WFMWPBMQVPZOFG-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC001588777425 1092991457 /nfs/dbraw/zinc/99/14/57/1092991457.db2.gz WFMWPBMQVPZOFG-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCCO2 ZINC001588777315 1092992081 /nfs/dbraw/zinc/99/20/81/1092992081.db2.gz NCZMEHVLYOZIHY-UHFFFAOYSA-N -1 3 348.410 2.706 20 30 EFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCCO2 ZINC001588777315 1092992092 /nfs/dbraw/zinc/99/20/92/1092992092.db2.gz NCZMEHVLYOZIHY-UHFFFAOYSA-N -1 3 348.410 2.706 20 30 EFEDHM Cc1cc(N=NC(C)c2ccc(-c3nn[n-]n3)cc2Cl)nc(C)n1 ZINC001588777433 1092993293 /nfs/dbraw/zinc/99/32/93/1092993293.db2.gz WUBCTQDYNZOKTI-UHFFFAOYSA-N -1 3 342.794 2.763 20 30 EFEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001588777311 1092993669 /nfs/dbraw/zinc/99/36/69/1092993669.db2.gz MXWACSDGUIHSHI-SNVBAGLBSA-N -1 3 345.407 2.568 20 30 EFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001588777311 1092993678 /nfs/dbraw/zinc/99/36/78/1092993678.db2.gz MXWACSDGUIHSHI-SNVBAGLBSA-N -1 3 345.407 2.568 20 30 EFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588894773 1093001740 /nfs/dbraw/zinc/00/17/40/1093001740.db2.gz PBJOARVIOAQTOQ-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588894773 1093001747 /nfs/dbraw/zinc/00/17/47/1093001747.db2.gz PBJOARVIOAQTOQ-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM C[C@H](C#N)N(Cc1cc(-c2nnn[n-]2)ccc1Br)C1CC1 ZINC001588934511 1093013394 /nfs/dbraw/zinc/01/33/94/1093013394.db2.gz OQSBSZOPZJFZEQ-SECBINFHSA-N -1 3 347.220 2.506 20 30 EFEDHM C[C@H](C#N)N(Cc1cc(-c2nn[n-]n2)ccc1Br)C1CC1 ZINC001588934511 1093013398 /nfs/dbraw/zinc/01/33/98/1093013398.db2.gz OQSBSZOPZJFZEQ-SECBINFHSA-N -1 3 347.220 2.506 20 30 EFEDHM C[C@@H](C#N)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001588930718 1093014400 /nfs/dbraw/zinc/01/44/00/1093014400.db2.gz IJTDDDIULDEJKM-ZDUSSCGKSA-N -1 3 346.394 2.765 20 30 EFEDHM C[C@@H](C#N)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001588930718 1093014405 /nfs/dbraw/zinc/01/44/05/1093014405.db2.gz IJTDDDIULDEJKM-ZDUSSCGKSA-N -1 3 346.394 2.765 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001589034139 1093020204 /nfs/dbraw/zinc/02/02/04/1093020204.db2.gz RVUUJTSMNWSHEO-UHFFFAOYSA-N -1 3 342.403 2.542 20 30 EFEDHM CC(C)(C)[C@@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)CS1 ZINC001589096261 1093028428 /nfs/dbraw/zinc/02/84/28/1093028428.db2.gz MTLYHZIXGIIQPR-AWEZNQCLSA-N -1 3 330.461 2.864 20 30 EFEDHM CC(C)(C)[C@@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)CS1 ZINC001589096261 1093028439 /nfs/dbraw/zinc/02/84/39/1093028439.db2.gz MTLYHZIXGIIQPR-AWEZNQCLSA-N -1 3 330.461 2.864 20 30 EFEDHM CC(C)(C)OC(=O)CCSc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589156382 1093041040 /nfs/dbraw/zinc/04/10/40/1093041040.db2.gz UORVVLHRAYAAKI-UHFFFAOYSA-N -1 3 331.401 2.562 20 30 EFEDHM CC(C)(C)OC(=O)CCSc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589156382 1093041043 /nfs/dbraw/zinc/04/10/43/1093041043.db2.gz UORVVLHRAYAAKI-UHFFFAOYSA-N -1 3 331.401 2.562 20 30 EFEDHM CC(C)(C)OC1CCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001589193311 1093042829 /nfs/dbraw/zinc/04/28/29/1093042829.db2.gz PQXSDSYZNDPVLX-UHFFFAOYSA-N -1 3 326.404 2.522 20 30 EFEDHM CC(C)(C)OC1CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001589193311 1093042837 /nfs/dbraw/zinc/04/28/37/1093042837.db2.gz PQXSDSYZNDPVLX-UHFFFAOYSA-N -1 3 326.404 2.522 20 30 EFEDHM CC(C)(C)Oc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001589201999 1093049340 /nfs/dbraw/zinc/04/93/40/1093049340.db2.gz RFNMNDYFXSGCPV-UHFFFAOYSA-N -1 3 349.398 2.923 20 30 EFEDHM CC(C)(C)Oc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001589201999 1093049349 /nfs/dbraw/zinc/04/93/49/1093049349.db2.gz RFNMNDYFXSGCPV-UHFFFAOYSA-N -1 3 349.398 2.923 20 30 EFEDHM CC(C)(CC#N)CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC001589267200 1093059995 /nfs/dbraw/zinc/05/99/95/1093059995.db2.gz KTUUIAZFUKWLRE-UHFFFAOYSA-N -1 3 341.806 2.842 20 30 EFEDHM CC(C)(CC#N)CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC001589267200 1093059998 /nfs/dbraw/zinc/05/99/98/1093059998.db2.gz KTUUIAZFUKWLRE-UHFFFAOYSA-N -1 3 341.806 2.842 20 30 EFEDHM CC(C)(CC#N)COC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001589267285 1093060029 /nfs/dbraw/zinc/06/00/29/1093060029.db2.gz NZOFKYKTVFLUES-UHFFFAOYSA-N -1 3 343.362 2.520 20 30 EFEDHM CC(C)(CC#N)COC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001589267285 1093060036 /nfs/dbraw/zinc/06/00/36/1093060036.db2.gz NZOFKYKTVFLUES-UHFFFAOYSA-N -1 3 343.362 2.520 20 30 EFEDHM CC(C)(NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC001589317738 1093071812 /nfs/dbraw/zinc/07/18/12/1093071812.db2.gz WLYJDLOIHLMGFY-UHFFFAOYSA-N -1 3 347.382 2.795 20 30 EFEDHM CC(C)(NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC001589317738 1093071818 /nfs/dbraw/zinc/07/18/18/1093071818.db2.gz WLYJDLOIHLMGFY-UHFFFAOYSA-N -1 3 347.382 2.795 20 30 EFEDHM CC(C)[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1cccnc1 ZINC001589456231 1093086001 /nfs/dbraw/zinc/08/60/01/1093086001.db2.gz CUYAINPREFCRQK-INIZCTEOSA-N -1 3 333.399 2.985 20 30 EFEDHM CC(C)[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1cccnc1 ZINC001589456231 1093086010 /nfs/dbraw/zinc/08/60/10/1093086010.db2.gz CUYAINPREFCRQK-INIZCTEOSA-N -1 3 333.399 2.985 20 30 EFEDHM CC(C)C[C@@H]1C[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589572223 1093108576 /nfs/dbraw/zinc/10/85/76/1093108576.db2.gz PCQJRFBXBJKPQH-UONOGXRCSA-N -1 3 326.404 2.744 20 30 EFEDHM CC(C)C[C@@H]1C[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589572223 1093108582 /nfs/dbraw/zinc/10/85/82/1093108582.db2.gz PCQJRFBXBJKPQH-UONOGXRCSA-N -1 3 326.404 2.744 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001589600414 1093114159 /nfs/dbraw/zinc/11/41/59/1093114159.db2.gz IAQDYQVUVPVJJV-UHFFFAOYSA-N -1 3 333.421 2.722 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001589600414 1093114164 /nfs/dbraw/zinc/11/41/64/1093114164.db2.gz IAQDYQVUVPVJJV-UHFFFAOYSA-N -1 3 333.421 2.722 20 30 EFEDHM CC(C)Cn1nccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC001589671330 1093123439 /nfs/dbraw/zinc/12/34/39/1093123439.db2.gz AFXDFAQAIKRUHV-UVTDQMKNSA-N -1 3 348.410 2.932 20 30 EFEDHM CC(C)Cn1nccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC001589671330 1093123445 /nfs/dbraw/zinc/12/34/45/1093123445.db2.gz AFXDFAQAIKRUHV-UVTDQMKNSA-N -1 3 348.410 2.932 20 30 EFEDHM C[C@H](CC#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001589786686 1093146865 /nfs/dbraw/zinc/14/68/65/1093146865.db2.gz JUNFQYSPVBFPSW-LLVKDONJSA-N -1 3 349.354 2.542 20 30 EFEDHM CC(CN1Cc2ccccc2C1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC001589849171 1093160545 /nfs/dbraw/zinc/16/05/45/1093160545.db2.gz ZKGHHYFRJHFNKB-UHFFFAOYSA-N -1 3 333.399 2.670 20 30 EFEDHM CC(CN1Cc2ccccc2C1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC001589849171 1093160550 /nfs/dbraw/zinc/16/05/50/1093160550.db2.gz ZKGHHYFRJHFNKB-UHFFFAOYSA-N -1 3 333.399 2.670 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001589897865 1093170743 /nfs/dbraw/zinc/17/07/43/1093170743.db2.gz OXNANZOLGLCHLA-LBPRGKRZSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC001589897865 1093170746 /nfs/dbraw/zinc/17/07/46/1093170746.db2.gz OXNANZOLGLCHLA-LBPRGKRZSA-N -1 3 332.367 2.556 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NO[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001589904856 1093176010 /nfs/dbraw/zinc/17/60/10/1093176010.db2.gz YSYLRGGMZZUKHO-AWEZNQCLSA-N -1 3 339.403 2.834 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NO[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001589904856 1093176014 /nfs/dbraw/zinc/17/60/14/1093176014.db2.gz YSYLRGGMZZUKHO-AWEZNQCLSA-N -1 3 339.403 2.834 20 30 EFEDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(C#N)cc1F ZINC001589968478 1093202832 /nfs/dbraw/zinc/20/28/32/1093202832.db2.gz URXJEJSRONGREM-SNVBAGLBSA-N -1 3 340.337 2.867 20 30 EFEDHM C[C@@H](NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(C#N)cc1F ZINC001589968478 1093202839 /nfs/dbraw/zinc/20/28/39/1093202839.db2.gz URXJEJSRONGREM-SNVBAGLBSA-N -1 3 340.337 2.867 20 30 EFEDHM C[C@H](Nc1nc2ncccc2cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001589991666 1093212742 /nfs/dbraw/zinc/21/27/42/1093212742.db2.gz PKCLQVUFZKCBEN-NSHDSACASA-N -1 3 342.366 2.855 20 30 EFEDHM C[C@H](Nc1nc2ncccc2cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001589991666 1093212749 /nfs/dbraw/zinc/21/27/49/1093212749.db2.gz PKCLQVUFZKCBEN-NSHDSACASA-N -1 3 342.366 2.855 20 30 EFEDHM C[C@H](OC(=O)Cc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590008432 1093217838 /nfs/dbraw/zinc/21/78/38/1093217838.db2.gz GDVFNZJZLRMISQ-LBPRGKRZSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@H](OC(=O)Cc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590008432 1093217844 /nfs/dbraw/zinc/21/78/44/1093217844.db2.gz GDVFNZJZLRMISQ-LBPRGKRZSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@@H](OC(=O)c1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001590010262 1093221493 /nfs/dbraw/zinc/22/14/93/1093221493.db2.gz OHCPPRLPMJFTFC-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001590010262 1093221498 /nfs/dbraw/zinc/22/14/98/1093221498.db2.gz OHCPPRLPMJFTFC-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1sccc1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590015016 1093224194 /nfs/dbraw/zinc/22/41/94/1093224194.db2.gz BXPUPTWDIRINER-SNVBAGLBSA-N -1 3 339.380 2.912 20 30 EFEDHM C[C@@H](OC(=O)c1sccc1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590015016 1093224200 /nfs/dbraw/zinc/22/42/00/1093224200.db2.gz BXPUPTWDIRINER-SNVBAGLBSA-N -1 3 339.380 2.912 20 30 EFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccccc1F ZINC001590037994 1093231870 /nfs/dbraw/zinc/23/18/70/1093231870.db2.gz VXUVAMCPLRPPQR-MRVPVSSYSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccccc1F ZINC001590037994 1093231876 /nfs/dbraw/zinc/23/18/76/1093231876.db2.gz VXUVAMCPLRPPQR-MRVPVSSYSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001590055688 1093248160 /nfs/dbraw/zinc/24/81/60/1093248160.db2.gz WFBVVEBLKQILHW-HNNXBMFYSA-N -1 3 345.794 2.678 20 30 EFEDHM C[C@@]1(C#N)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001590055688 1093248162 /nfs/dbraw/zinc/24/81/62/1093248162.db2.gz WFBVVEBLKQILHW-HNNXBMFYSA-N -1 3 345.794 2.678 20 30 EFEDHM C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)[C@H]1c1ccccc1 ZINC001590164987 1093291264 /nfs/dbraw/zinc/29/12/64/1093291264.db2.gz JFGCZBVLTPQYGN-YMRXKLBXSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)[C@H]1c1ccccc1 ZINC001590164987 1093291270 /nfs/dbraw/zinc/29/12/70/1093291270.db2.gz JFGCZBVLTPQYGN-YMRXKLBXSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1C[C@@H]1CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001590218494 1093309592 /nfs/dbraw/zinc/30/95/92/1093309592.db2.gz GXOHZUFRHNPXSO-VXGBXAGGSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@@H]1C[C@@H]1CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001590218494 1093309599 /nfs/dbraw/zinc/30/95/99/1093309599.db2.gz GXOHZUFRHNPXSO-VXGBXAGGSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@@H]1CCC[C@H](OC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590251731 1093340406 /nfs/dbraw/zinc/34/04/06/1093340406.db2.gz HRWRKEAYJTUREC-WQVCFCJDSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@@H]1CCC[C@H](OC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590251731 1093340412 /nfs/dbraw/zinc/34/04/12/1093340412.db2.gz HRWRKEAYJTUREC-WQVCFCJDSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@H]1CCCCN1N=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001590257800 1093348468 /nfs/dbraw/zinc/34/84/68/1093348468.db2.gz ZJVOUXOOPKFZFW-HNNXBMFYSA-N -1 3 349.442 2.925 20 30 EFEDHM C[C@H]1CCCCN1N=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001590257800 1093348475 /nfs/dbraw/zinc/34/84/75/1093348475.db2.gz ZJVOUXOOPKFZFW-HNNXBMFYSA-N -1 3 349.442 2.925 20 30 EFEDHM C[C@@H]1CCCN1c1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001590263733 1093350734 /nfs/dbraw/zinc/35/07/34/1093350734.db2.gz FSSMHGLXFRJMGO-GFCCVEGCSA-N -1 3 337.431 2.781 20 30 EFEDHM C[C@@H]1CCCN1c1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001590263733 1093350742 /nfs/dbraw/zinc/35/07/42/1093350742.db2.gz FSSMHGLXFRJMGO-GFCCVEGCSA-N -1 3 337.431 2.781 20 30 EFEDHM CCC(=NN1C(=S)N=NC1C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358987 1093390799 /nfs/dbraw/zinc/39/07/99/1093390799.db2.gz CODMAHISZCUKSA-UHFFFAOYSA-N -1 3 342.432 2.533 20 30 EFEDHM CCC(=NN1C(=S)N=NC1C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358987 1093390807 /nfs/dbraw/zinc/39/08/07/1093390807.db2.gz CODMAHISZCUKSA-UHFFFAOYSA-N -1 3 342.432 2.533 20 30 EFEDHM CCC(C#N)(CC)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001590367187 1093393513 /nfs/dbraw/zinc/39/35/13/1093393513.db2.gz GQKNFFJGMOXQSS-UHFFFAOYSA-N -1 3 342.403 2.922 20 30 EFEDHM CCC(C#N)(CC)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001590367187 1093393524 /nfs/dbraw/zinc/39/35/24/1093393524.db2.gz GQKNFFJGMOXQSS-UHFFFAOYSA-N -1 3 342.403 2.922 20 30 EFEDHM CCC(CC)NN=Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001590435873 1093419545 /nfs/dbraw/zinc/41/95/45/1093419545.db2.gz OVNMDHMUGJTACW-UHFFFAOYSA-N -1 3 326.326 2.998 20 30 EFEDHM CCC(CC)NN=Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001590435873 1093419550 /nfs/dbraw/zinc/41/95/50/1093419550.db2.gz OVNMDHMUGJTACW-UHFFFAOYSA-N -1 3 326.326 2.998 20 30 EFEDHM Cc1nsc(NC[C@H](C)N(C)C(=O)c2ccccc2[O-])c1C#N ZINC001104472111 1093436856 /nfs/dbraw/zinc/43/68/56/1093436856.db2.gz LSZFACOBUHYMMF-JTQLQIEISA-N -1 3 330.413 2.601 20 30 EFEDHM CCCCCCC[C@H](C)CNC(=O)c1cnccc1-c1nnn[n-]1 ZINC001590592884 1093505751 /nfs/dbraw/zinc/50/57/51/1093505751.db2.gz NWIURPHGZDZYCV-ZDUSSCGKSA-N -1 3 330.436 2.988 20 30 EFEDHM CCCCCCC[C@H](C)CNC(=O)c1cnccc1-c1nn[n-]n1 ZINC001590592884 1093505759 /nfs/dbraw/zinc/50/57/59/1093505759.db2.gz NWIURPHGZDZYCV-ZDUSSCGKSA-N -1 3 330.436 2.988 20 30 EFEDHM CCCCn1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)c(C)n1 ZINC001590616763 1093518030 /nfs/dbraw/zinc/51/80/30/1093518030.db2.gz DPJHBQGNULONFT-UHFFFAOYSA-N -1 3 336.403 2.656 20 30 EFEDHM CCCCn1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)c(C)n1 ZINC001590616763 1093518036 /nfs/dbraw/zinc/51/80/36/1093518036.db2.gz DPJHBQGNULONFT-UHFFFAOYSA-N -1 3 336.403 2.656 20 30 EFEDHM CCN(C(=O)c1ccc(C)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590673311 1093542618 /nfs/dbraw/zinc/54/26/18/1093542618.db2.gz DZGHAMDWQHGXCJ-UHFFFAOYSA-N -1 3 332.367 2.714 20 30 EFEDHM CCN(C(=O)c1ccc(C)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590673311 1093542626 /nfs/dbraw/zinc/54/26/26/1093542626.db2.gz DZGHAMDWQHGXCJ-UHFFFAOYSA-N -1 3 332.367 2.714 20 30 EFEDHM CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)s1 ZINC001651267720 1093546252 /nfs/dbraw/zinc/54/62/52/1093546252.db2.gz GHAIEZCUICUAKB-UHFFFAOYSA-N -1 3 337.364 2.860 20 30 EFEDHM CCN(CC)c1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001590688629 1093549280 /nfs/dbraw/zinc/54/92/80/1093549280.db2.gz DRUVLMQDPSXYJF-UHFFFAOYSA-N -1 3 334.387 2.723 20 30 EFEDHM CCN(CC)c1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001590688629 1093549287 /nfs/dbraw/zinc/54/92/87/1093549287.db2.gz DRUVLMQDPSXYJF-UHFFFAOYSA-N -1 3 334.387 2.723 20 30 EFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCCCC#N ZINC001590746634 1093560533 /nfs/dbraw/zinc/56/05/33/1093560533.db2.gz IAMLRWJOACOSER-UHFFFAOYSA-N -1 3 327.392 2.711 20 30 EFEDHM CCOC(=O)C(CC)(CC)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590753266 1093563195 /nfs/dbraw/zinc/56/31/95/1093563195.db2.gz SAKXDYHQZSEVOI-UHFFFAOYSA-N -1 3 342.403 2.520 20 30 EFEDHM CCOC(=O)C(CC)(CC)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590753266 1093563199 /nfs/dbraw/zinc/56/31/99/1093563199.db2.gz SAKXDYHQZSEVOI-UHFFFAOYSA-N -1 3 342.403 2.520 20 30 EFEDHM CCOC(=O)Nc1ccc(NC[C@@H](C)CCC#N)cc1-c1nnn[n-]1 ZINC001590768894 1093564608 /nfs/dbraw/zinc/56/46/08/1093564608.db2.gz RHYUBBGCOJZGMZ-NSHDSACASA-N -1 3 343.391 2.787 20 30 EFEDHM CCOC(=O)Nc1ccc(NC[C@@H](C)CCC#N)cc1-c1nn[n-]n1 ZINC001590768894 1093564615 /nfs/dbraw/zinc/56/46/15/1093564615.db2.gz RHYUBBGCOJZGMZ-NSHDSACASA-N -1 3 343.391 2.787 20 30 EFEDHM CCOC1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001590786105 1093572124 /nfs/dbraw/zinc/57/21/24/1093572124.db2.gz BHJTYETZOAYAPW-UHFFFAOYSA-N -1 3 340.309 2.852 20 30 EFEDHM CCOC1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001590786105 1093572130 /nfs/dbraw/zinc/57/21/30/1093572130.db2.gz BHJTYETZOAYAPW-UHFFFAOYSA-N -1 3 340.309 2.852 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C#N)s2)s1 ZINC001590875988 1093609376 /nfs/dbraw/zinc/60/93/76/1093609376.db2.gz ICHYPGKMXJVCQL-UHFFFAOYSA-N -1 3 330.398 2.676 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C#N)s2)s1 ZINC001590875988 1093609379 /nfs/dbraw/zinc/60/93/79/1093609379.db2.gz ICHYPGKMXJVCQL-UHFFFAOYSA-N -1 3 330.398 2.676 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C#N)cc2F)s1 ZINC001590875926 1093610124 /nfs/dbraw/zinc/61/01/24/1093610124.db2.gz CQJYPIRHCZSPNI-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C#N)cc2F)s1 ZINC001590875926 1093610128 /nfs/dbraw/zinc/61/01/28/1093610128.db2.gz CQJYPIRHCZSPNI-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCn1nc(C)c(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)c1C ZINC001590964075 1093641984 /nfs/dbraw/zinc/64/19/84/1093641984.db2.gz UIXCENOKDCDMEW-HJWRWDBZSA-N -1 3 340.362 2.735 20 30 EFEDHM CCn1nc(C)c(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)c1C ZINC001590964075 1093641991 /nfs/dbraw/zinc/64/19/91/1093641991.db2.gz UIXCENOKDCDMEW-HJWRWDBZSA-N -1 3 340.362 2.735 20 30 EFEDHM CN(C(=O)CCCCCC#N)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001590981487 1093644966 /nfs/dbraw/zinc/64/49/66/1093644966.db2.gz YOTRERLTRGGCPZ-UHFFFAOYSA-N -1 3 332.795 2.957 20 30 EFEDHM CN(C(=O)CCCCCC#N)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001590981487 1093644969 /nfs/dbraw/zinc/64/49/69/1093644969.db2.gz YOTRERLTRGGCPZ-UHFFFAOYSA-N -1 3 332.795 2.957 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1-c1nnn[n-]1 ZINC001590986692 1093647154 /nfs/dbraw/zinc/64/71/54/1093647154.db2.gz KBPDNIWOCJYLTH-JKSUJKDBSA-N -1 3 344.378 2.505 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccccc1-c1nn[n-]n1 ZINC001590986692 1093647160 /nfs/dbraw/zinc/64/71/60/1093647160.db2.gz KBPDNIWOCJYLTH-JKSUJKDBSA-N -1 3 344.378 2.505 20 30 EFEDHM CN(C(=O)c1cc(C#N)ccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001590990722 1093648446 /nfs/dbraw/zinc/64/84/46/1093648446.db2.gz JLNBHEWXVVAHEK-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1cc(C#N)ccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001590990722 1093648448 /nfs/dbraw/zinc/64/84/48/1093648448.db2.gz JLNBHEWXVVAHEK-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590994405 1093650044 /nfs/dbraw/zinc/65/00/44/1093650044.db2.gz MYOATBXKVIAEHB-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590994405 1093650045 /nfs/dbraw/zinc/65/00/45/1093650045.db2.gz MYOATBXKVIAEHB-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1sccc1-c1nnn[n-]1)c1ccc(C#N)c(Cl)c1 ZINC001590998126 1093650512 /nfs/dbraw/zinc/65/05/12/1093650512.db2.gz JMNRHDQTDCLFRR-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1sccc1-c1nn[n-]n1)c1ccc(C#N)c(Cl)c1 ZINC001590998126 1093650515 /nfs/dbraw/zinc/65/05/15/1093650515.db2.gz JMNRHDQTDCLFRR-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C)c1ccc(-c2nn[n-]n2)cc1CNc1cc(F)cc(C#N)c1 ZINC001591032041 1093655507 /nfs/dbraw/zinc/65/55/07/1093655507.db2.gz KGAJOSMZMPFQJM-UHFFFAOYSA-N -1 3 337.362 2.556 20 30 EFEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1snc(Cl)c1C#N ZINC001591120934 1093662870 /nfs/dbraw/zinc/66/28/70/1093662870.db2.gz JCWSGWOIQKXAEA-UHFFFAOYSA-N -1 3 345.819 2.527 20 30 EFEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1snc(Cl)c1C#N ZINC001591120934 1093662874 /nfs/dbraw/zinc/66/28/74/1093662874.db2.gz JCWSGWOIQKXAEA-UHFFFAOYSA-N -1 3 345.819 2.527 20 30 EFEDHM COC(=O)c1csc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001591307709 1093689368 /nfs/dbraw/zinc/68/93/68/1093689368.db2.gz OQRCZGWEYUNVHJ-VOTSOKGWSA-N -1 3 340.364 2.611 20 30 EFEDHM COC(=O)c1csc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001591307709 1093689369 /nfs/dbraw/zinc/68/93/69/1093689369.db2.gz OQRCZGWEYUNVHJ-VOTSOKGWSA-N -1 3 340.364 2.611 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1C#N ZINC001591522638 1093749065 /nfs/dbraw/zinc/74/90/65/1093749065.db2.gz IWPXBUHHZQKAOX-UUASQNMZSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1C#N ZINC001591522638 1093749070 /nfs/dbraw/zinc/74/90/70/1093749070.db2.gz IWPXBUHHZQKAOX-UUASQNMZSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1 ZINC001591522236 1093749302 /nfs/dbraw/zinc/74/93/02/1093749302.db2.gz DSIHODAXXHSWBZ-BAQGIRSFSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1 ZINC001591522236 1093749309 /nfs/dbraw/zinc/74/93/09/1093749309.db2.gz DSIHODAXXHSWBZ-BAQGIRSFSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(F)ccc1NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001591540970 1093758390 /nfs/dbraw/zinc/75/83/90/1093758390.db2.gz YYKKJDVAPUFOEJ-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1cc(F)ccc1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001591540970 1093758394 /nfs/dbraw/zinc/75/83/94/1093758394.db2.gz YYKKJDVAPUFOEJ-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1cc(OCc2ccc(Cl)cc2-c2nnn[n-]2)ccc1C#N ZINC001591553081 1093766744 /nfs/dbraw/zinc/76/67/44/1093766744.db2.gz UIIOCQQGFUZJST-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(OCc2ccc(Cl)cc2-c2nn[n-]n2)ccc1C#N ZINC001591553081 1093766750 /nfs/dbraw/zinc/76/67/50/1093766750.db2.gz UIIOCQQGFUZJST-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001591567989 1093774499 /nfs/dbraw/zinc/77/44/99/1093774499.db2.gz LXIJVEAFODHKHH-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001591567989 1093774504 /nfs/dbraw/zinc/77/45/04/1093774504.db2.gz LXIJVEAFODHKHH-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(C=NN2CCC(C(C)(C)C)CC2)cc1-c1nnn[n-]1 ZINC001591582869 1093780545 /nfs/dbraw/zinc/78/05/45/1093780545.db2.gz RATTZFYYCGWDBA-UHFFFAOYSA-N -1 3 342.447 2.967 20 30 EFEDHM COc1ccc(C=NN2CCC(C(C)(C)C)CC2)cc1-c1nn[n-]n1 ZINC001591582869 1093780552 /nfs/dbraw/zinc/78/05/52/1093780552.db2.gz RATTZFYYCGWDBA-UHFFFAOYSA-N -1 3 342.447 2.967 20 30 EFEDHM C[C@H](OC(=O)c1sccc1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001591770990 1093854311 /nfs/dbraw/zinc/85/43/11/1093854311.db2.gz GKIIUHSEKHGDLO-JTQLQIEISA-N -1 3 339.380 2.912 20 30 EFEDHM C[C@H](OC(=O)c1sccc1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001591770990 1093854319 /nfs/dbraw/zinc/85/43/19/1093854319.db2.gz GKIIUHSEKHGDLO-JTQLQIEISA-N -1 3 339.380 2.912 20 30 EFEDHM C[C@@]1(C#N)CC[C@H](OC(=O)c2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001591775666 1093856869 /nfs/dbraw/zinc/85/68/69/1093856869.db2.gz GJXIVLLACLYFKT-AITUWYQGSA-N -1 3 329.335 2.635 20 30 EFEDHM C[C@@]1(C#N)CC[C@H](OC(=O)c2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001591775666 1093856876 /nfs/dbraw/zinc/85/68/76/1093856876.db2.gz GJXIVLLACLYFKT-AITUWYQGSA-N -1 3 329.335 2.635 20 30 EFEDHM Cc1c(C(=O)OCc2cc(F)ccc2C#N)cccc1-c1nnn[n-]1 ZINC001591813827 1093868583 /nfs/dbraw/zinc/86/85/83/1093868583.db2.gz WSXZHMGPFMTWMB-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C(=O)OCc2cc(F)ccc2C#N)cccc1-c1nn[n-]n1 ZINC001591813827 1093868588 /nfs/dbraw/zinc/86/85/88/1093868588.db2.gz WSXZHMGPFMTWMB-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C(=O)Nc2ccccc2O[C@H](C)C#N)cccc1-c1nnn[n-]1 ZINC001591811864 1093868917 /nfs/dbraw/zinc/86/89/17/1093868917.db2.gz QCPAMUOUIPLPMO-LLVKDONJSA-N -1 3 348.366 2.718 20 30 EFEDHM Cc1c(C(=O)Nc2ccccc2O[C@H](C)C#N)cccc1-c1nn[n-]n1 ZINC001591811864 1093868921 /nfs/dbraw/zinc/86/89/21/1093868921.db2.gz QCPAMUOUIPLPMO-LLVKDONJSA-N -1 3 348.366 2.718 20 30 EFEDHM Cc1c(Cl)cnc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)c1C#N ZINC001591821220 1093870751 /nfs/dbraw/zinc/87/07/51/1093870751.db2.gz NEBBCJZWGZVMKS-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1c(Cl)cnc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)c1C#N ZINC001591821220 1093870756 /nfs/dbraw/zinc/87/07/56/1093870756.db2.gz NEBBCJZWGZVMKS-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1c2c(nc(S[C@H]3CC[C@H](C#N)C3)c1-c1nnn[n-]1)CCC2 ZINC001591830239 1093875756 /nfs/dbraw/zinc/87/57/56/1093875756.db2.gz KPYBMEZRXNUJMQ-QWRGUYRKSA-N -1 3 326.429 2.843 20 30 EFEDHM Cc1c2c(nc(S[C@H]3CC[C@H](C#N)C3)c1-c1nn[n-]n1)CCC2 ZINC001591830239 1093875758 /nfs/dbraw/zinc/87/57/58/1093875758.db2.gz KPYBMEZRXNUJMQ-QWRGUYRKSA-N -1 3 326.429 2.843 20 30 EFEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001591840501 1093879474 /nfs/dbraw/zinc/87/94/74/1093879474.db2.gz XZNYOGAQNSLFTQ-VOTSOKGWSA-N -1 3 336.399 2.730 20 30 EFEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001591840501 1093879480 /nfs/dbraw/zinc/87/94/80/1093879480.db2.gz XZNYOGAQNSLFTQ-VOTSOKGWSA-N -1 3 336.399 2.730 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)O[C@@H](C)CC(C)(C)C#N ZINC001591845025 1093882661 /nfs/dbraw/zinc/88/26/61/1093882661.db2.gz LFMORLZEIVSBFP-ZDUSSCGKSA-N -1 3 341.415 2.898 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)O[C@@H](C)CC(C)(C)C#N ZINC001591845025 1093882670 /nfs/dbraw/zinc/88/26/70/1093882670.db2.gz LFMORLZEIVSBFP-ZDUSSCGKSA-N -1 3 341.415 2.898 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1CSc1nnc(C)c(C)c1C#N ZINC001591865997 1093901911 /nfs/dbraw/zinc/90/19/11/1093901911.db2.gz DLEDPMNGMAPJGW-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1CSc1nnc(C)c(C)c1C#N ZINC001591865997 1093901914 /nfs/dbraw/zinc/90/19/14/1093901914.db2.gz DLEDPMNGMAPJGW-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1OCCCC1(C#N)CCOCC1 ZINC001591869875 1093905925 /nfs/dbraw/zinc/90/59/25/1093905925.db2.gz NXGJEBWWULSPLJ-UHFFFAOYSA-N -1 3 327.388 2.655 20 30 EFEDHM Cc1cc(C#N)nc(N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001591906642 1093913498 /nfs/dbraw/zinc/91/34/98/1093913498.db2.gz ULLCOKOFBAGALV-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(C#N)nc(N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001591906642 1093913502 /nfs/dbraw/zinc/91/35/02/1093913502.db2.gz ULLCOKOFBAGALV-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)cc(C)c1C#N ZINC001591932393 1093919234 /nfs/dbraw/zinc/91/92/34/1093919234.db2.gz NBYCRPWYTADCFP-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)cc(C)c1C#N ZINC001591932393 1093919239 /nfs/dbraw/zinc/91/92/39/1093919239.db2.gz NBYCRPWYTADCFP-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCC3(CC#N)CC3)c2c1 ZINC001591949711 1093928108 /nfs/dbraw/zinc/92/81/08/1093928108.db2.gz DFPPBXHMFZAATJ-UHFFFAOYSA-N -1 3 333.399 2.559 20 30 EFEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCC3(CC#N)CC3)c2c1 ZINC001591949711 1093928111 /nfs/dbraw/zinc/92/81/11/1093928111.db2.gz DFPPBXHMFZAATJ-UHFFFAOYSA-N -1 3 333.399 2.559 20 30 EFEDHM Cc1cc(C)cc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC001591952316 1093931909 /nfs/dbraw/zinc/93/19/09/1093931909.db2.gz BFQHGQJGSNWXTM-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(C)cc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC001591952316 1093931910 /nfs/dbraw/zinc/93/19/10/1093931910.db2.gz BFQHGQJGSNWXTM-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001591959329 1093933507 /nfs/dbraw/zinc/93/35/07/1093933507.db2.gz OJNXABXCQXQSJJ-YCRREMRBSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001591959329 1093933509 /nfs/dbraw/zinc/93/35/09/1093933509.db2.gz OJNXABXCQXQSJJ-YCRREMRBSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1cc(C=NNc2ccc(F)c([N+](=O)[O-])c2)ccc1-c1nnn[n-]1 ZINC001591958865 1093933589 /nfs/dbraw/zinc/93/35/89/1093933589.db2.gz QRMSLJXNEMOMME-UHFFFAOYSA-N -1 3 341.306 2.668 20 30 EFEDHM Cc1cc(C=NNc2ccc(F)c([N+](=O)[O-])c2)ccc1-c1nn[n-]n1 ZINC001591958865 1093933591 /nfs/dbraw/zinc/93/35/91/1093933591.db2.gz QRMSLJXNEMOMME-UHFFFAOYSA-N -1 3 341.306 2.668 20 30 EFEDHM Cc1cc(CN=Nc2cc(C#N)cc(Cl)n2)ccc1-c1nn[n-]n1 ZINC001591958868 1093933736 /nfs/dbraw/zinc/93/37/36/1093933736.db2.gz RDCSTVMMASJOBP-UHFFFAOYSA-N -1 3 338.762 2.541 20 30 EFEDHM Cc1cc(F)c(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001591986811 1093947422 /nfs/dbraw/zinc/94/74/22/1093947422.db2.gz USKPAKNJVTZPAB-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(F)c(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001591986811 1093947423 /nfs/dbraw/zinc/94/74/23/1093947423.db2.gz USKPAKNJVTZPAB-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(F)cc(C)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001591990566 1093948359 /nfs/dbraw/zinc/94/83/59/1093948359.db2.gz GHQWUYNYBMEYJZ-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(F)cc(C)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001591990566 1093948361 /nfs/dbraw/zinc/94/83/61/1093948361.db2.gz GHQWUYNYBMEYJZ-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc(-c2nnn[n-]2)c1 ZINC001592023308 1093956809 /nfs/dbraw/zinc/95/68/09/1093956809.db2.gz BFAYXEANSVZIAE-LBPRGKRZSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc(-c2nn[n-]n2)c1 ZINC001592023308 1093956811 /nfs/dbraw/zinc/95/68/11/1093956811.db2.gz BFAYXEANSVZIAE-LBPRGKRZSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(OC(=O)CC2(C#N)CCCCC2)ccc1-c1nnn[n-]1 ZINC001592055694 1093968029 /nfs/dbraw/zinc/96/80/29/1093968029.db2.gz DUNCWLCSMFAAPJ-UHFFFAOYSA-N -1 3 325.372 2.945 20 30 EFEDHM Cc1cc(OC(=O)CC2(C#N)CCCCC2)ccc1-c1nn[n-]n1 ZINC001592055694 1093968033 /nfs/dbraw/zinc/96/80/33/1093968033.db2.gz DUNCWLCSMFAAPJ-UHFFFAOYSA-N -1 3 325.372 2.945 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC001592068750 1093973188 /nfs/dbraw/zinc/97/31/88/1093973188.db2.gz OWQZNGAFIRHHPE-UHFFFAOYSA-N -1 3 329.345 2.591 20 30 EFEDHM Cc1ccc(-c2n[nH]cc2C=NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC001592074713 1093976916 /nfs/dbraw/zinc/97/69/16/1093976916.db2.gz PZUQPZYJYBLWBM-UHFFFAOYSA-N -1 3 334.343 2.604 20 30 EFEDHM Cc1ccc(-c2n[nH]cc2C=NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC001592074713 1093976918 /nfs/dbraw/zinc/97/69/18/1093976918.db2.gz PZUQPZYJYBLWBM-UHFFFAOYSA-N -1 3 334.343 2.604 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC001592101196 1093980510 /nfs/dbraw/zinc/98/05/10/1093980510.db2.gz KBPXHJZBSYMMSR-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC001592101196 1093980513 /nfs/dbraw/zinc/98/05/13/1093980513.db2.gz KBPXHJZBSYMMSR-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC001592103490 1093980896 /nfs/dbraw/zinc/98/08/96/1093980896.db2.gz HLRMCZRHCKOLNJ-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)Cc1ccc(C#N)cc1 ZINC001592103490 1093980901 /nfs/dbraw/zinc/98/09/01/1093980901.db2.gz HLRMCZRHCKOLNJ-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(CCC#N)cc1 ZINC001592100250 1093981111 /nfs/dbraw/zinc/98/11/11/1093981111.db2.gz OJFPIIGSDDTRPV-UHFFFAOYSA-N -1 3 332.367 2.884 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(CCC#N)cc1 ZINC001592100250 1093981115 /nfs/dbraw/zinc/98/11/15/1093981115.db2.gz OJFPIIGSDDTRPV-UHFFFAOYSA-N -1 3 332.367 2.884 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001592113458 1093984379 /nfs/dbraw/zinc/98/43/79/1093984379.db2.gz NKFQQFIBYFONHY-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001592113458 1093984383 /nfs/dbraw/zinc/98/43/83/1093984383.db2.gz NKFQQFIBYFONHY-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592113698 1093984432 /nfs/dbraw/zinc/98/44/32/1093984432.db2.gz ZSLJQOYZPDGQHC-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592113698 1093984434 /nfs/dbraw/zinc/98/44/34/1093984434.db2.gz ZSLJQOYZPDGQHC-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001592113469 1093984495 /nfs/dbraw/zinc/98/44/95/1093984495.db2.gz NMSZKPYDUNNOEO-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001592113469 1093984498 /nfs/dbraw/zinc/98/44/98/1093984498.db2.gz NMSZKPYDUNNOEO-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001592113066 1093985371 /nfs/dbraw/zinc/98/53/71/1093985371.db2.gz DHAXNUUKJWZORE-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001592113066 1093985373 /nfs/dbraw/zinc/98/53/73/1093985373.db2.gz DHAXNUUKJWZORE-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592174882 1094015794 /nfs/dbraw/zinc/01/57/94/1094015794.db2.gz GAIQDMYHBROCGY-UHFFFAOYSA-N -1 3 332.367 2.736 20 30 EFEDHM Cc1ccc(N(CCC#N)C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592174882 1094015802 /nfs/dbraw/zinc/01/58/02/1094015802.db2.gz GAIQDMYHBROCGY-UHFFFAOYSA-N -1 3 332.367 2.736 20 30 EFEDHM Cc1cccc(Cl)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001592232629 1094040673 /nfs/dbraw/zinc/04/06/73/1094040673.db2.gz YRZPOAAWXCLHGM-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cccc(Cl)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001592232629 1094040681 /nfs/dbraw/zinc/04/06/81/1094040681.db2.gz YRZPOAAWXCLHGM-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cccn2c(C=CC(=O)c3ccccc3-c3nnn[n-]3)cnc12 ZINC001592260548 1094056073 /nfs/dbraw/zinc/05/60/73/1094056073.db2.gz CTFANPYFPKQOAE-HJWRWDBZSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cccn2c(C=CC(=O)c3ccccc3-c3nn[n-]n3)cnc12 ZINC001592260548 1094056077 /nfs/dbraw/zinc/05/60/77/1094056077.db2.gz CTFANPYFPKQOAE-HJWRWDBZSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccnc(NC(C)(C)Cc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC001592273412 1094060613 /nfs/dbraw/zinc/06/06/13/1094060613.db2.gz XZOHUDGGOJCDIY-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1ccnc(NC(C)(C)Cc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC001592273412 1094060616 /nfs/dbraw/zinc/06/06/16/1094060616.db2.gz XZOHUDGGOJCDIY-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1ccnc(N[C@@H]2CCCc3cc(C#N)ccc32)c1-c1nnn[n-]1 ZINC001592272793 1094061137 /nfs/dbraw/zinc/06/11/37/1094061137.db2.gz NEVQZENDRDDIMY-OAHLLOKOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccnc(N[C@@H]2CCCc3cc(C#N)ccc32)c1-c1nn[n-]n1 ZINC001592272793 1094061143 /nfs/dbraw/zinc/06/11/43/1094061143.db2.gz NEVQZENDRDDIMY-OAHLLOKOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C/C=C/c1ccc(Cl)cc1 ZINC001592341207 1094080762 /nfs/dbraw/zinc/08/07/62/1094080762.db2.gz RXPIHMAQRKJCQZ-NSCUHMNNSA-N -1 3 325.763 2.610 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C/C=C/c1ccc(Cl)cc1 ZINC001592341207 1094080768 /nfs/dbraw/zinc/08/07/68/1094080768.db2.gz RXPIHMAQRKJCQZ-NSCUHMNNSA-N -1 3 325.763 2.610 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1cc(Cl)sc1Cl ZINC001592340097 1094082126 /nfs/dbraw/zinc/08/21/26/1094082126.db2.gz CNOSOSQIZXXMQA-UHFFFAOYSA-N -1 3 340.199 2.660 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1cc(Cl)sc1Cl ZINC001592340097 1094082133 /nfs/dbraw/zinc/08/21/33/1094082133.db2.gz CNOSOSQIZXXMQA-UHFFFAOYSA-N -1 3 340.199 2.660 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCSc1cccc(Cl)c1 ZINC001592341286 1094082226 /nfs/dbraw/zinc/08/22/26/1094082226.db2.gz VNTOCSWTJQJKQW-UHFFFAOYSA-N -1 3 345.819 2.689 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCSc1cccc(Cl)c1 ZINC001592341286 1094082232 /nfs/dbraw/zinc/08/22/32/1094082232.db2.gz VNTOCSWTJQJKQW-UHFFFAOYSA-N -1 3 345.819 2.689 20 30 EFEDHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@@H](C)c2cccc(C#N)c2)n1 ZINC001592353584 1094084492 /nfs/dbraw/zinc/08/44/92/1094084492.db2.gz DLGMBHDTZSHJFA-JTQLQIEISA-N -1 3 337.412 2.999 20 30 EFEDHM Cc1nc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)cc1C#N ZINC001592395208 1094098484 /nfs/dbraw/zinc/09/84/84/1094098484.db2.gz AYQCIILFEHXCFI-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1nc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)cc1C#N ZINC001592395208 1094098491 /nfs/dbraw/zinc/09/84/91/1094098491.db2.gz AYQCIILFEHXCFI-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1nc(NCc2cccc(C#N)c2)c(Cl)cc1-c1nnn[n-]1 ZINC001592395630 1094099555 /nfs/dbraw/zinc/09/95/55/1094099555.db2.gz LUHDSCJJQFTGMV-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1nc(NCc2cccc(C#N)c2)c(Cl)cc1-c1nn[n-]n1 ZINC001592395630 1094099561 /nfs/dbraw/zinc/09/95/61/1094099561.db2.gz LUHDSCJJQFTGMV-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1nc(NCc2ccc(C#N)cc2)c(Cl)cc1-c1nnn[n-]1 ZINC001592395527 1094100149 /nfs/dbraw/zinc/10/01/49/1094100149.db2.gz GZQAGKSNNZGPBE-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1nc(NCc2ccc(C#N)cc2)c(Cl)cc1-c1nn[n-]n1 ZINC001592395527 1094100153 /nfs/dbraw/zinc/10/01/53/1094100153.db2.gz GZQAGKSNNZGPBE-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1nn(C)c2cc(Nc3c(C#N)cccc3-c3nnn[n-]3)ccc12 ZINC001592432058 1094104624 /nfs/dbraw/zinc/10/46/24/1094104624.db2.gz QGPDLASFOOVBGG-UHFFFAOYSA-N -1 3 330.355 2.677 20 30 EFEDHM Cc1nn(C)c2cc(Nc3c(C#N)cccc3-c3nn[n-]n3)ccc12 ZINC001592432058 1094104627 /nfs/dbraw/zinc/10/46/27/1094104627.db2.gz QGPDLASFOOVBGG-UHFFFAOYSA-N -1 3 330.355 2.677 20 30 EFEDHM Cc1nnc(SCc2ccc(-c3nnn[n-]3)c(F)c2)c(C#N)c1C ZINC001592449882 1094106127 /nfs/dbraw/zinc/10/61/27/1094106127.db2.gz NRDWYCRGYVAKIP-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nnc(SCc2ccc(-c3nn[n-]n3)c(F)c2)c(C#N)c1C ZINC001592449882 1094106128 /nfs/dbraw/zinc/10/61/28/1094106128.db2.gz NRDWYCRGYVAKIP-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1sc(NC(=O)Cc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C ZINC001592519332 1094118151 /nfs/dbraw/zinc/11/81/51/1094118151.db2.gz NOZFIBDJTPFXFK-UHFFFAOYSA-N -1 3 338.396 2.598 20 30 EFEDHM Cc1sc(NC(=O)Cc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1C ZINC001592519332 1094118152 /nfs/dbraw/zinc/11/81/52/1094118152.db2.gz NOZFIBDJTPFXFK-UHFFFAOYSA-N -1 3 338.396 2.598 20 30 EFEDHM Clc1cccc2c1OCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC001592535606 1094129706 /nfs/dbraw/zinc/12/97/06/1094129706.db2.gz IKNZLPYHOSTVFA-UHFFFAOYSA-N -1 3 326.747 2.729 20 30 EFEDHM Clc1cccc2c1OCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC001592535606 1094129708 /nfs/dbraw/zinc/12/97/08/1094129708.db2.gz IKNZLPYHOSTVFA-UHFFFAOYSA-N -1 3 326.747 2.729 20 30 EFEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(C2CCCC2)n1 ZINC001592567384 1094135200 /nfs/dbraw/zinc/13/52/00/1094135200.db2.gz WVBUYCYQJSGHHH-UHFFFAOYSA-N -1 3 336.403 2.704 20 30 EFEDHM Cn1nccc1-c1ccccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001592603181 1094139031 /nfs/dbraw/zinc/13/90/31/1094139031.db2.gz LFXGKGYEGMGLJA-UHFFFAOYSA-N -1 3 344.382 2.713 20 30 EFEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NC[C@H]1CCCOC1 ZINC001592619611 1094141498 /nfs/dbraw/zinc/14/14/98/1094141498.db2.gz HRRTVYIAPRCGHN-SECBINFHSA-N -1 3 340.309 2.710 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NC[C@H]1CCCOC1 ZINC001592619611 1094141502 /nfs/dbraw/zinc/14/15/02/1094141502.db2.gz HRRTVYIAPRCGHN-SECBINFHSA-N -1 3 340.309 2.710 20 30 EFEDHM FC1(F)CCC[C@H]1CNN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001592628947 1094146428 /nfs/dbraw/zinc/14/64/28/1094146428.db2.gz XNZAQHMTQYQGQR-LBPRGKRZSA-N -1 3 345.357 2.707 20 30 EFEDHM FC1(F)CCC[C@H]1CNN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001592628947 1094146429 /nfs/dbraw/zinc/14/64/29/1094146429.db2.gz XNZAQHMTQYQGQR-LBPRGKRZSA-N -1 3 345.357 2.707 20 30 EFEDHM Fc1cc(CON=C2CCOc3ccccc32)ccc1-c1nnn[n-]1 ZINC001592638864 1094154789 /nfs/dbraw/zinc/15/47/89/1094154789.db2.gz KGHTXHNSRDUBQJ-UHFFFAOYSA-N -1 3 339.330 2.709 20 30 EFEDHM Fc1cc(CON=C2CCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC001592638864 1094154793 /nfs/dbraw/zinc/15/47/93/1094154793.db2.gz KGHTXHNSRDUBQJ-UHFFFAOYSA-N -1 3 339.330 2.709 20 30 EFEDHM N#CC1(CC(=O)N2CCc3c2cccc3-c2nnn[n-]2)CCCCC1 ZINC001592666195 1094172887 /nfs/dbraw/zinc/17/28/87/1094172887.db2.gz CZEFQNMJMKMVPD-UHFFFAOYSA-N -1 3 336.399 2.620 20 30 EFEDHM N#CC1(CC(=O)N2CCc3c2cccc3-c2nn[n-]n2)CCCCC1 ZINC001592666195 1094172889 /nfs/dbraw/zinc/17/28/89/1094172889.db2.gz CZEFQNMJMKMVPD-UHFFFAOYSA-N -1 3 336.399 2.620 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CCCC2)no1 ZINC001592669859 1094173631 /nfs/dbraw/zinc/17/36/31/1094173631.db2.gz VBTBGFDAAJXZTQ-CQSZACIVSA-N -1 3 335.371 2.757 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CCCC2)no1 ZINC001592669859 1094173634 /nfs/dbraw/zinc/17/36/34/1094173634.db2.gz VBTBGFDAAJXZTQ-CQSZACIVSA-N -1 3 335.371 2.757 20 30 EFEDHM N#CC1(CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCC1 ZINC001592668404 1094173722 /nfs/dbraw/zinc/17/37/22/1094173722.db2.gz KUEGNLAMHMGIPA-UHFFFAOYSA-N -1 3 344.806 2.724 20 30 EFEDHM N#CC1(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCC1 ZINC001592668404 1094173724 /nfs/dbraw/zinc/17/37/24/1094173724.db2.gz KUEGNLAMHMGIPA-UHFFFAOYSA-N -1 3 344.806 2.724 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CC12CCCC2 ZINC001592667112 1094173748 /nfs/dbraw/zinc/17/37/48/1094173748.db2.gz PCBDDPPRNIDPKB-MRXNPFEDSA-N -1 3 344.325 2.557 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CC12CCCC2 ZINC001592667112 1094173751 /nfs/dbraw/zinc/17/37/51/1094173751.db2.gz PCBDDPPRNIDPKB-MRXNPFEDSA-N -1 3 344.325 2.557 20 30 EFEDHM N#C[C@]1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC2CCC1CC2 ZINC001592666902 1094173778 /nfs/dbraw/zinc/17/37/78/1094173778.db2.gz MSMBDBJFXWNGQW-NQMJSUOBSA-N -1 3 340.362 2.664 20 30 EFEDHM N#C[C@]1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC2CCC1CC2 ZINC001592666902 1094173779 /nfs/dbraw/zinc/17/37/79/1094173779.db2.gz MSMBDBJFXWNGQW-NQMJSUOBSA-N -1 3 340.362 2.664 20 30 EFEDHM N#CC1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001592671563 1094174413 /nfs/dbraw/zinc/17/44/13/1094174413.db2.gz RCPBWDZLPKRFCQ-UHFFFAOYSA-N -1 3 344.806 2.580 20 30 EFEDHM N#CC1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001592671563 1094174418 /nfs/dbraw/zinc/17/44/18/1094174418.db2.gz RCPBWDZLPKRFCQ-UHFFFAOYSA-N -1 3 344.806 2.580 20 30 EFEDHM N#CCCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001592675159 1094174851 /nfs/dbraw/zinc/17/48/51/1094174851.db2.gz SJJBEECMGDGPCD-UHFFFAOYSA-N -1 3 349.192 2.652 20 30 EFEDHM N#CCCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001592675159 1094174854 /nfs/dbraw/zinc/17/48/54/1094174854.db2.gz SJJBEECMGDGPCD-UHFFFAOYSA-N -1 3 349.192 2.652 20 30 EFEDHM N#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001592674345 1094175372 /nfs/dbraw/zinc/17/53/72/1094175372.db2.gz BLNMUXSFYWZDRR-UHFFFAOYSA-N -1 3 339.403 2.854 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@H]1C=CCCCCC1 ZINC001592686404 1094175881 /nfs/dbraw/zinc/17/58/81/1094175881.db2.gz KOGWWRWIUGIVHT-NSHDSACASA-N -1 3 327.417 2.697 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@H]1C=CCCCCC1 ZINC001592686404 1094175885 /nfs/dbraw/zinc/17/58/85/1094175885.db2.gz KOGWWRWIUGIVHT-NSHDSACASA-N -1 3 327.417 2.697 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SC/C=C\c1ccccc1 ZINC001592686347 1094175964 /nfs/dbraw/zinc/17/59/64/1094175964.db2.gz JGZRTYGCTRWTDZ-DAXSKMNVSA-N -1 3 335.396 2.521 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC/C=C\c1ccccc1 ZINC001592686347 1094175970 /nfs/dbraw/zinc/17/59/70/1094175970.db2.gz JGZRTYGCTRWTDZ-DAXSKMNVSA-N -1 3 335.396 2.521 20 30 EFEDHM N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1 ZINC001592681059 1094176120 /nfs/dbraw/zinc/17/61/20/1094176120.db2.gz FMIKYGIBSDLTMI-CMPLNLGQSA-N -1 3 337.387 2.558 20 30 EFEDHM N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1 ZINC001592681059 1094176123 /nfs/dbraw/zinc/17/61/23/1094176123.db2.gz FMIKYGIBSDLTMI-CMPLNLGQSA-N -1 3 337.387 2.558 20 30 EFEDHM N#CCc1cccc(NC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC001592680320 1094176420 /nfs/dbraw/zinc/17/64/20/1094176420.db2.gz VGRBZABMUFNYBW-UHFFFAOYSA-N -1 3 344.378 2.603 20 30 EFEDHM N#CCc1cccc(NC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC001592680320 1094176423 /nfs/dbraw/zinc/17/64/23/1094176423.db2.gz VGRBZABMUFNYBW-UHFFFAOYSA-N -1 3 344.378 2.603 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1C1CC1 ZINC001592689934 1094177237 /nfs/dbraw/zinc/17/72/37/1094177237.db2.gz GEDOISNHHWFGTP-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1C1CC1 ZINC001592689934 1094177239 /nfs/dbraw/zinc/17/72/39/1094177239.db2.gz GEDOISNHHWFGTP-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cc(Cl)cc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592688206 1094177533 /nfs/dbraw/zinc/17/75/33/1094177533.db2.gz HZPXFBZDUKYXQR-OAHLLOKOSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1cc(Cl)cc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592688206 1094177536 /nfs/dbraw/zinc/17/75/36/1094177536.db2.gz HZPXFBZDUKYXQR-OAHLLOKOSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccccc2C(F)F)ccc1-c1nnn[n-]1 ZINC001592690153 1094177576 /nfs/dbraw/zinc/17/75/76/1094177576.db2.gz NICZLYWZJYXHMW-UHFFFAOYSA-N -1 3 340.293 2.928 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccccc2C(F)F)ccc1-c1nn[n-]n1 ZINC001592690153 1094177579 /nfs/dbraw/zinc/17/75/79/1094177579.db2.gz NICZLYWZJYXHMW-UHFFFAOYSA-N -1 3 340.293 2.928 20 30 EFEDHM N#Cc1cc(NC(=O)C2[C@H]3CCCCCC[C@H]23)ccc1-c1nnn[n-]1 ZINC001592689391 1094177617 /nfs/dbraw/zinc/17/76/17/1094177617.db2.gz ZTUFHPBBZTZSBJ-GJZGRUSLSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(NC(=O)C2[C@H]3CCCCCC[C@H]23)ccc1-c1nn[n-]n1 ZINC001592689391 1094177622 /nfs/dbraw/zinc/17/76/22/1094177622.db2.gz ZTUFHPBBZTZSBJ-GJZGRUSLSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)ccc1-c1nnn[n-]1 ZINC001592689393 1094177738 /nfs/dbraw/zinc/17/77/38/1094177738.db2.gz ZTUFHPBBZTZSBJ-ZSHCYNCHSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)ccc1-c1nn[n-]n1 ZINC001592689393 1094177742 /nfs/dbraw/zinc/17/77/42/1094177742.db2.gz ZTUFHPBBZTZSBJ-ZSHCYNCHSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)ccc1-c1nnn[n-]1 ZINC001592689392 1094178025 /nfs/dbraw/zinc/17/80/25/1094178025.db2.gz ZTUFHPBBZTZSBJ-HUUCEWRRSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)ccc1-c1nn[n-]n1 ZINC001592689392 1094178026 /nfs/dbraw/zinc/17/80/26/1094178026.db2.gz ZTUFHPBBZTZSBJ-HUUCEWRRSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)c1 ZINC001592691467 1094178347 /nfs/dbraw/zinc/17/83/47/1094178347.db2.gz XHRYKJWQTUZMNG-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c(F)c1 ZINC001592691467 1094178350 /nfs/dbraw/zinc/17/83/50/1094178350.db2.gz XHRYKJWQTUZMNG-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(C2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)nc1 ZINC001592691788 1094178448 /nfs/dbraw/zinc/17/84/48/1094178448.db2.gz BMGSURMFWMQFFV-UHFFFAOYSA-N -1 3 349.373 2.656 20 30 EFEDHM N#Cc1ccc(C2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)nc1 ZINC001592691788 1094178451 /nfs/dbraw/zinc/17/84/51/1094178451.db2.gz BMGSURMFWMQFFV-UHFFFAOYSA-N -1 3 349.373 2.656 20 30 EFEDHM N#Cc1ccc(C2(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC001592691497 1094178569 /nfs/dbraw/zinc/17/85/69/1094178569.db2.gz ZWHFIBJOMLZOQZ-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(C2(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)cc1 ZINC001592691497 1094178572 /nfs/dbraw/zinc/17/85/72/1094178572.db2.gz ZWHFIBJOMLZOQZ-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1-c1nnn[n-]1 ZINC001592695072 1094179039 /nfs/dbraw/zinc/17/90/39/1094179039.db2.gz BRAMABLHBKDZMX-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(C3CC3)cc2)cc1-c1nn[n-]n1 ZINC001592695072 1094179041 /nfs/dbraw/zinc/17/90/41/1094179041.db2.gz BRAMABLHBKDZMX-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC001592694066 1094179540 /nfs/dbraw/zinc/17/95/40/1094179540.db2.gz IADXSCSBVQNMRU-UHFFFAOYSA-N -1 3 349.741 2.516 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC001592694066 1094179543 /nfs/dbraw/zinc/17/95/43/1094179543.db2.gz IADXSCSBVQNMRU-UHFFFAOYSA-N -1 3 349.741 2.516 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](COc2ccccc2)C1 ZINC001592698296 1094180766 /nfs/dbraw/zinc/18/07/66/1094180766.db2.gz UVIOHVPJADHITN-CQSZACIVSA-N -1 3 346.394 2.644 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](COc2ccccc2)C1 ZINC001592698296 1094180767 /nfs/dbraw/zinc/18/07/67/1094180767.db2.gz UVIOHVPJADHITN-CQSZACIVSA-N -1 3 346.394 2.644 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@]1(c2ccccc2)CCCO1 ZINC001592699699 1094181442 /nfs/dbraw/zinc/18/14/42/1094181442.db2.gz IXZKZKUFICJLED-IBGZPJMESA-N -1 3 346.394 2.856 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@]1(c2ccccc2)CCCO1 ZINC001592699699 1094181445 /nfs/dbraw/zinc/18/14/45/1094181445.db2.gz IXZKZKUFICJLED-IBGZPJMESA-N -1 3 346.394 2.856 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2c(F)ccc(F)c2C1 ZINC001592699391 1094181577 /nfs/dbraw/zinc/18/15/77/1094181577.db2.gz YEKGELJAQGIWRF-UHFFFAOYSA-N -1 3 338.321 2.579 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2c(F)ccc(F)c2C1 ZINC001592699391 1094181579 /nfs/dbraw/zinc/18/15/79/1094181579.db2.gz YEKGELJAQGIWRF-UHFFFAOYSA-N -1 3 338.321 2.579 20 30 EFEDHM N#Cc1cccc(OCCOc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001592700151 1094181650 /nfs/dbraw/zinc/18/16/50/1094181650.db2.gz GBEYRYUNKFPTPS-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1cccc(OCCOc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001592700151 1094181652 /nfs/dbraw/zinc/18/16/52/1094181652.db2.gz GBEYRYUNKFPTPS-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1cnn(-c2ccccc2)c1 ZINC001592699758 1094181774 /nfs/dbraw/zinc/18/17/74/1094181774.db2.gz LHGIKSJWNILNTO-UHFFFAOYSA-N -1 3 342.366 2.536 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1cnn(-c2ccccc2)c1 ZINC001592699758 1094181776 /nfs/dbraw/zinc/18/17/76/1094181776.db2.gz LHGIKSJWNILNTO-UHFFFAOYSA-N -1 3 342.366 2.536 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCc2ccccc2C1 ZINC001592699923 1094182050 /nfs/dbraw/zinc/18/20/50/1094182050.db2.gz SEXQEOWNMPKBKU-ZDUSSCGKSA-N -1 3 330.395 2.955 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCc2ccccc2C1 ZINC001592699923 1094182055 /nfs/dbraw/zinc/18/20/55/1094182055.db2.gz SEXQEOWNMPKBKU-ZDUSSCGKSA-N -1 3 330.395 2.955 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc(NC(=O)C2CC2)cc1 ZINC001592699668 1094182110 /nfs/dbraw/zinc/18/21/10/1094182110.db2.gz HFQBDQZQRZKPED-UHFFFAOYSA-N -1 3 345.366 2.830 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc(NC(=O)C2CC2)cc1 ZINC001592699668 1094182113 /nfs/dbraw/zinc/18/21/13/1094182113.db2.gz HFQBDQZQRZKPED-UHFFFAOYSA-N -1 3 345.366 2.830 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001592700616 1094182140 /nfs/dbraw/zinc/18/21/40/1094182140.db2.gz MMZZRZXHEKHGHC-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001592700616 1094182143 /nfs/dbraw/zinc/18/21/43/1094182143.db2.gz MMZZRZXHEKHGHC-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCOc1ccc(F)c(F)c1 ZINC001592699491 1094182241 /nfs/dbraw/zinc/18/22/41/1094182241.db2.gz BUSVRFFCDJOCCJ-UHFFFAOYSA-N -1 3 342.309 2.507 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCOc1ccc(F)c(F)c1 ZINC001592699491 1094182244 /nfs/dbraw/zinc/18/22/44/1094182244.db2.gz BUSVRFFCDJOCCJ-UHFFFAOYSA-N -1 3 342.309 2.507 20 30 EFEDHM N#Cc1nc(F)ccc1OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001592705751 1094182930 /nfs/dbraw/zinc/18/29/30/1094182930.db2.gz BLPIFYYFUAVJDB-UHFFFAOYSA-N -1 3 330.710 2.505 20 30 EFEDHM N#Cc1nc(F)ccc1OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001592705751 1094182935 /nfs/dbraw/zinc/18/29/35/1094182935.db2.gz BLPIFYYFUAVJDB-UHFFFAOYSA-N -1 3 330.710 2.505 20 30 EFEDHM N#Cc1nc(F)ccc1OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001592706542 1094183126 /nfs/dbraw/zinc/18/31/26/1094183126.db2.gz WJHVFIBEOFPTMU-UHFFFAOYSA-N -1 3 330.710 2.505 20 30 EFEDHM N#Cc1nc(F)ccc1OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001592706542 1094183132 /nfs/dbraw/zinc/18/31/32/1094183132.db2.gz WJHVFIBEOFPTMU-UHFFFAOYSA-N -1 3 330.710 2.505 20 30 EFEDHM N#Cc1ccccc1OCCOc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001592702125 1094183484 /nfs/dbraw/zinc/18/34/84/1094183484.db2.gz WBCIYBPEFQQVRJ-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccccc1OCCOc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001592702125 1094183485 /nfs/dbraw/zinc/18/34/85/1094183485.db2.gz WBCIYBPEFQQVRJ-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2[nH]c(=O)oc2c1 ZINC001592791466 1094188135 /nfs/dbraw/zinc/18/81/35/1094188135.db2.gz JPYKWINXXQZEMW-DUXPYHPUSA-N -1 3 339.336 2.671 20 30 EFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2[nH]c(=O)oc2c1 ZINC001592791466 1094188137 /nfs/dbraw/zinc/18/81/37/1094188137.db2.gz JPYKWINXXQZEMW-DUXPYHPUSA-N -1 3 339.336 2.671 20 30 EFEDHM O=C(C=Cc1ccc(-n2cccn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592791902 1094188480 /nfs/dbraw/zinc/18/84/80/1094188480.db2.gz RHGYMEFSKPMFMQ-NYYWCZLTSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccc(-n2cccn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592791902 1094188482 /nfs/dbraw/zinc/18/84/82/1094188482.db2.gz RHGYMEFSKPMFMQ-NYYWCZLTSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccnn1-c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001592802150 1094190369 /nfs/dbraw/zinc/19/03/69/1094190369.db2.gz ORLGDKBMEZJVQA-ZHACJKMWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccnn1-c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001592802150 1094190370 /nfs/dbraw/zinc/19/03/70/1094190370.db2.gz ORLGDKBMEZJVQA-ZHACJKMWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N(O)Cc1ccc(F)cc1 ZINC001593340839 1094292659 /nfs/dbraw/zinc/29/26/59/1094292659.db2.gz PDZCONKJFMBGRV-UHFFFAOYSA-N -1 3 347.737 2.691 20 30 EFEDHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N(O)Cc1ccc(F)cc1 ZINC001593340839 1094292672 /nfs/dbraw/zinc/29/26/72/1094292672.db2.gz PDZCONKJFMBGRV-UHFFFAOYSA-N -1 3 347.737 2.691 20 30 EFEDHM O=C1c2cccc(F)c2OCC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001593379724 1094302553 /nfs/dbraw/zinc/30/25/53/1094302553.db2.gz IBBUDNZYHKQHJP-YFHOEESVSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cccc(F)c2OCC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001593379724 1094302564 /nfs/dbraw/zinc/30/25/64/1094302564.db2.gz IBBUDNZYHKQHJP-YFHOEESVSA-N -1 3 340.289 2.804 20 30 EFEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCC[C@H]([C@@H]2CCOC2)C1 ZINC001593548722 1094360681 /nfs/dbraw/zinc/36/06/81/1094360681.db2.gz ANBWJILZWXNQJX-JKSUJKDBSA-N -1 3 340.431 2.539 20 30 EFEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCC[C@H]([C@@H]2CCOC2)C1 ZINC001593548722 1094360685 /nfs/dbraw/zinc/36/06/85/1094360685.db2.gz ANBWJILZWXNQJX-JKSUJKDBSA-N -1 3 340.431 2.539 20 30 EFEDHM c1ccc(C[C@H]2CCCC2=NNCc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001593571856 1094381753 /nfs/dbraw/zinc/38/17/53/1094381753.db2.gz IIFWOSNGGZVKTA-MRXNPFEDSA-N -1 3 347.426 2.750 20 30 EFEDHM c1ccc(C[C@H]2CCCC2=NNCc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001593571856 1094381765 /nfs/dbraw/zinc/38/17/65/1094381765.db2.gz IIFWOSNGGZVKTA-MRXNPFEDSA-N -1 3 347.426 2.750 20 30 EFEDHM c1ccc(COC2CC(=NNCc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC001593574576 1094389534 /nfs/dbraw/zinc/38/95/34/1094389534.db2.gz WYARFQSAIJXMSD-UHFFFAOYSA-N -1 3 348.410 2.692 20 30 EFEDHM c1ccc(COC2CC(=NNCc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC001593574576 1094389539 /nfs/dbraw/zinc/38/95/39/1094389539.db2.gz WYARFQSAIJXMSD-UHFFFAOYSA-N -1 3 348.410 2.692 20 30 EFEDHM Cc1c(C(=O)[O-])cc(CN[C@@H](C)c2ccc(OCC#N)cc2)n1C ZINC001599995498 1094707681 /nfs/dbraw/zinc/70/76/81/1094707681.db2.gz QRHQWSASVGEMFN-LBPRGKRZSA-N -1 3 327.384 2.785 20 30 EFEDHM N#Cc1cccc(OCCN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001601123745 1095527135 /nfs/dbraw/zinc/52/71/35/1095527135.db2.gz RBJNNPKCZXWBJC-ZDUSSCGKSA-N -1 3 343.408 2.581 20 30 EFEDHM C#CC[C@H](CCOC)NCc1ccc(C(=O)[O-])cc1Br ZINC001602683463 1096349460 /nfs/dbraw/zinc/34/94/60/1096349460.db2.gz PQJWDDAEVNSUEN-CYBMUJFWSA-N -1 3 340.217 2.665 20 30 EFEDHM C#C[C@@H](CCC)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001602688378 1096351040 /nfs/dbraw/zinc/35/10/40/1096351040.db2.gz IWTWQGOXCMUNDY-VIFPVBQESA-N -1 3 338.198 2.705 20 30 EFEDHM C#C[C@@H](CCC)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001602688378 1096351049 /nfs/dbraw/zinc/35/10/49/1096351049.db2.gz IWTWQGOXCMUNDY-VIFPVBQESA-N -1 3 338.198 2.705 20 30 EFEDHM C#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001602689224 1096351529 /nfs/dbraw/zinc/35/15/29/1096351529.db2.gz PGQQSURPEPUDEV-HNNXBMFYSA-N -1 3 337.770 2.624 20 30 EFEDHM C#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001602689224 1096351534 /nfs/dbraw/zinc/35/15/34/1096351534.db2.gz PGQQSURPEPUDEV-HNNXBMFYSA-N -1 3 337.770 2.624 20 30 EFEDHM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001602689863 1096352095 /nfs/dbraw/zinc/35/20/95/1096352095.db2.gz NLIVVHRYAOTZGF-GFCCVEGCSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001602689863 1096352100 /nfs/dbraw/zinc/35/21/00/1096352100.db2.gz NLIVVHRYAOTZGF-GFCCVEGCSA-N -1 3 348.366 2.802 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001602697913 1096352907 /nfs/dbraw/zinc/35/29/07/1096352907.db2.gz VOIBHGRNEJUPCW-QGZVFWFLSA-N -1 3 346.394 2.623 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001602697913 1096352914 /nfs/dbraw/zinc/35/29/14/1096352914.db2.gz VOIBHGRNEJUPCW-QGZVFWFLSA-N -1 3 346.394 2.623 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC001602696888 1096353086 /nfs/dbraw/zinc/35/30/86/1096353086.db2.gz HCFDQTXURXTNDC-HNNXBMFYSA-N -1 3 343.394 2.561 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC001602696888 1096353089 /nfs/dbraw/zinc/35/30/89/1096353089.db2.gz HCFDQTXURXTNDC-HNNXBMFYSA-N -1 3 343.394 2.561 20 30 EFEDHM C#C[C@@H]1CCCCN1c1cc(Br)ccc1-c1nnn[n-]1 ZINC001602696604 1096353119 /nfs/dbraw/zinc/35/31/19/1096353119.db2.gz KSURBXUQQZRTJY-LLVKDONJSA-N -1 3 332.205 2.621 20 30 EFEDHM C#C[C@@H]1CCCCN1c1cc(Br)ccc1-c1nn[n-]n1 ZINC001602696604 1096353129 /nfs/dbraw/zinc/35/31/29/1096353129.db2.gz KSURBXUQQZRTJY-LLVKDONJSA-N -1 3 332.205 2.621 20 30 EFEDHM C#CCC1(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001602700306 1096353576 /nfs/dbraw/zinc/35/35/76/1096353576.db2.gz VGKRYRSUBXJZPM-UHFFFAOYSA-N -1 3 342.378 2.854 20 30 EFEDHM C#CCC1(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001602700306 1096353581 /nfs/dbraw/zinc/35/35/81/1096353581.db2.gz VGKRYRSUBXJZPM-UHFFFAOYSA-N -1 3 342.378 2.854 20 30 EFEDHM C#CC[C@@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602697496 1096353591 /nfs/dbraw/zinc/35/35/91/1096353591.db2.gz NREGIRDOPZQLJX-MRXNPFEDSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CC[C@@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602697496 1096353596 /nfs/dbraw/zinc/35/35/96/1096353596.db2.gz NREGIRDOPZQLJX-MRXNPFEDSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CCCCC(=O)Nc1cccc(OC(F)(F)F)c1-c1nnn[n-]1 ZINC001602706197 1096354543 /nfs/dbraw/zinc/35/45/43/1096354543.db2.gz NGMJZZHXWRFDNM-UHFFFAOYSA-N -1 3 339.277 2.507 20 30 EFEDHM C#CCN(C(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)C1CCCCC1 ZINC001602716644 1096356248 /nfs/dbraw/zinc/35/62/48/1096356248.db2.gz KEJTXOXWSMUASB-UHFFFAOYSA-N -1 3 348.410 2.756 20 30 EFEDHM C#CCN(C(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)C1CCCCC1 ZINC001602716644 1096356260 /nfs/dbraw/zinc/35/62/60/1096356260.db2.gz KEJTXOXWSMUASB-UHFFFAOYSA-N -1 3 348.410 2.756 20 30 EFEDHM C#CCCOc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)c(C)c2)cc1 ZINC001602713865 1096356688 /nfs/dbraw/zinc/35/66/88/1096356688.db2.gz BDDZJXMWWQWSNF-UHFFFAOYSA-N -1 3 348.362 2.796 20 30 EFEDHM C#CCCOc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)c(C)c2)cc1 ZINC001602713865 1096356698 /nfs/dbraw/zinc/35/66/98/1096356698.db2.gz BDDZJXMWWQWSNF-UHFFFAOYSA-N -1 3 348.362 2.796 20 30 EFEDHM C#CCCOC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC001602714570 1096357198 /nfs/dbraw/zinc/35/71/98/1096357198.db2.gz VINFKMHBZMCIMN-UHFFFAOYSA-N -1 3 348.362 2.626 20 30 EFEDHM C#CCCOC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC001602714570 1096357205 /nfs/dbraw/zinc/35/72/05/1096357205.db2.gz VINFKMHBZMCIMN-UHFFFAOYSA-N -1 3 348.362 2.626 20 30 EFEDHM C#Cc1cc(F)c(NCc2ccc(-c3nnn[n-]3)cc2OC)c(F)c1 ZINC001602735599 1096357954 /nfs/dbraw/zinc/35/79/54/1096357954.db2.gz LRENFABQDSQITQ-UHFFFAOYSA-N -1 3 341.321 2.747 20 30 EFEDHM C#Cc1cc(F)c(NCc2ccc(-c3nn[n-]n3)cc2OC)c(F)c1 ZINC001602735599 1096357962 /nfs/dbraw/zinc/35/79/62/1096357962.db2.gz LRENFABQDSQITQ-UHFFFAOYSA-N -1 3 341.321 2.747 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)c1 ZINC001602741352 1096359270 /nfs/dbraw/zinc/35/92/70/1096359270.db2.gz GWQIRQKFHQIYOC-UHFFFAOYSA-N -1 3 332.367 2.825 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)c1 ZINC001602741352 1096359276 /nfs/dbraw/zinc/35/92/76/1096359276.db2.gz GWQIRQKFHQIYOC-UHFFFAOYSA-N -1 3 332.367 2.825 20 30 EFEDHM C#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC001602741673 1096359294 /nfs/dbraw/zinc/35/92/94/1096359294.db2.gz UPUCNFUJOWPFGG-UHFFFAOYSA-N -1 3 341.733 2.893 20 30 EFEDHM C#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC001602741673 1096359301 /nfs/dbraw/zinc/35/93/01/1096359301.db2.gz UPUCNFUJOWPFGG-UHFFFAOYSA-N -1 3 341.733 2.893 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c32)c1 ZINC001602741339 1096359950 /nfs/dbraw/zinc/35/99/50/1096359950.db2.gz GNIKHRVLTASEFG-UHFFFAOYSA-N -1 3 342.362 2.606 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c32)c1 ZINC001602741339 1096359956 /nfs/dbraw/zinc/35/99/56/1096359956.db2.gz GNIKHRVLTASEFG-UHFFFAOYSA-N -1 3 342.362 2.606 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC001602753090 1096363572 /nfs/dbraw/zinc/36/35/72/1096363572.db2.gz LNDNEJCHZZDFBJ-GFCCVEGCSA-N -1 3 337.387 2.593 20 30 EFEDHM C=C(C)CCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602756407 1096365445 /nfs/dbraw/zinc/36/54/45/1096365445.db2.gz MYTWNKJXIKJKDJ-UHFFFAOYSA-N -1 3 341.415 2.593 20 30 EFEDHM C=C(CC)CNc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001602767337 1096367104 /nfs/dbraw/zinc/36/71/04/1096367104.db2.gz DRJVWMDNUNFNSE-UHFFFAOYSA-N -1 3 340.387 2.810 20 30 EFEDHM C=C(CC)CNc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001602767337 1096367113 /nfs/dbraw/zinc/36/71/13/1096367113.db2.gz DRJVWMDNUNFNSE-UHFFFAOYSA-N -1 3 340.387 2.810 20 30 EFEDHM C=C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001602780098 1096368690 /nfs/dbraw/zinc/36/86/90/1096368690.db2.gz IUQXSWAMFKFYSV-AWEZNQCLSA-N -1 3 337.358 2.592 20 30 EFEDHM C=C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001602780098 1096368699 /nfs/dbraw/zinc/36/86/99/1096368699.db2.gz IUQXSWAMFKFYSV-AWEZNQCLSA-N -1 3 337.358 2.592 20 30 EFEDHM C=CC(C)(C)CCNC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001602786752 1096370944 /nfs/dbraw/zinc/37/09/44/1096370944.db2.gz HFIULBZLQVKZQL-UHFFFAOYSA-N -1 3 348.382 2.738 20 30 EFEDHM C=CC(C)(C)CCNC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001602786752 1096370950 /nfs/dbraw/zinc/37/09/50/1096370950.db2.gz HFIULBZLQVKZQL-UHFFFAOYSA-N -1 3 348.382 2.738 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC001602795407 1096371815 /nfs/dbraw/zinc/37/18/15/1096371815.db2.gz RKDUOEJXIMONDW-KRWDZBQOSA-N -1 3 339.403 2.777 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC001602795407 1096371821 /nfs/dbraw/zinc/37/18/21/1096371821.db2.gz RKDUOEJXIMONDW-KRWDZBQOSA-N -1 3 339.403 2.777 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602793882 1096371891 /nfs/dbraw/zinc/37/18/91/1096371891.db2.gz FYVYNHZAQBWYLF-ACJLOTCBSA-N -1 3 343.431 2.615 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602793882 1096371897 /nfs/dbraw/zinc/37/18/97/1096371897.db2.gz FYVYNHZAQBWYLF-ACJLOTCBSA-N -1 3 343.431 2.615 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001602800622 1096372382 /nfs/dbraw/zinc/37/23/82/1096372382.db2.gz MNMAMMLUZQIULD-ZDUSSCGKSA-N -1 3 345.472 2.818 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001602800622 1096372390 /nfs/dbraw/zinc/37/23/90/1096372390.db2.gz MNMAMMLUZQIULD-ZDUSSCGKSA-N -1 3 345.472 2.818 20 30 EFEDHM C=C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001602799429 1096372664 /nfs/dbraw/zinc/37/26/64/1096372664.db2.gz BCFFWALYOIUDIG-CYBMUJFWSA-N -1 3 335.367 2.665 20 30 EFEDHM C=C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001602799429 1096372675 /nfs/dbraw/zinc/37/26/75/1096372675.db2.gz BCFFWALYOIUDIG-CYBMUJFWSA-N -1 3 335.367 2.665 20 30 EFEDHM C=C[C@@H](CC)CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC001602804669 1096373039 /nfs/dbraw/zinc/37/30/39/1096373039.db2.gz VUPSTLOCONPRIR-LBPRGKRZSA-N -1 3 337.387 2.593 20 30 EFEDHM C=C[C@H]1CCCCN1c1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001602808032 1096373181 /nfs/dbraw/zinc/37/31/81/1096373181.db2.gz WBXBXIRDAKKZCP-AWEZNQCLSA-N -1 3 349.398 2.994 20 30 EFEDHM C=C[C@H]1CCCCN1c1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001602808032 1096373192 /nfs/dbraw/zinc/37/31/92/1096373192.db2.gz WBXBXIRDAKKZCP-AWEZNQCLSA-N -1 3 349.398 2.994 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602803487 1096373977 /nfs/dbraw/zinc/37/39/77/1096373977.db2.gz MXOWPGILPYPWGL-WFASDCNBSA-N -1 3 326.404 2.678 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602803487 1096373985 /nfs/dbraw/zinc/37/39/85/1096373985.db2.gz MXOWPGILPYPWGL-WFASDCNBSA-N -1 3 326.404 2.678 20 30 EFEDHM C=CC1CCN(c2nc3cc(Cl)ccn3c2-c2nnn[n-]2)CC1 ZINC001602807292 1096374173 /nfs/dbraw/zinc/37/41/73/1096374173.db2.gz JEUXJZUPVRMRRP-UHFFFAOYSA-N -1 3 329.795 2.570 20 30 EFEDHM C=CC1CCN(c2nc3cc(Cl)ccn3c2-c2nn[n-]n2)CC1 ZINC001602807292 1096374182 /nfs/dbraw/zinc/37/41/82/1096374182.db2.gz JEUXJZUPVRMRRP-UHFFFAOYSA-N -1 3 329.795 2.570 20 30 EFEDHM C=CCC1(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602818811 1096375302 /nfs/dbraw/zinc/37/53/02/1096375302.db2.gz XIUGFPRRABIZNW-UHFFFAOYSA-N -1 3 326.404 2.555 20 30 EFEDHM C=CCC1(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602818811 1096375311 /nfs/dbraw/zinc/37/53/11/1096375311.db2.gz XIUGFPRRABIZNW-UHFFFAOYSA-N -1 3 326.404 2.555 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602811799 1096375377 /nfs/dbraw/zinc/37/53/77/1096375377.db2.gz PXZYWVSFSVUSLV-HIFRSBDPSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602811799 1096375385 /nfs/dbraw/zinc/37/53/85/1096375385.db2.gz PXZYWVSFSVUSLV-HIFRSBDPSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001602816888 1096375580 /nfs/dbraw/zinc/37/55/80/1096375580.db2.gz WGVWKXIAYPADFM-UHFFFAOYSA-N -1 3 339.371 2.957 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001602816888 1096375589 /nfs/dbraw/zinc/37/55/89/1096375589.db2.gz WGVWKXIAYPADFM-UHFFFAOYSA-N -1 3 339.371 2.957 20 30 EFEDHM C=CCC1(NC(=O)Nc2cc(C)c(-c3nnn[n-]3)cn2)CCCCC1 ZINC001602818806 1096375607 /nfs/dbraw/zinc/37/56/07/1096375607.db2.gz WVJJYFBYUPBOJW-UHFFFAOYSA-N -1 3 341.419 2.971 20 30 EFEDHM C=CCC1(NC(=O)Nc2cc(C)c(-c3nn[n-]n3)cn2)CCCCC1 ZINC001602818806 1096375617 /nfs/dbraw/zinc/37/56/17/1096375617.db2.gz WVJJYFBYUPBOJW-UHFFFAOYSA-N -1 3 341.419 2.971 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCOCC1 ZINC001602818816 1096376214 /nfs/dbraw/zinc/37/62/14/1096376214.db2.gz XPDKXQTXEUULGA-UHFFFAOYSA-N -1 3 347.806 2.832 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCOCC1 ZINC001602818816 1096376223 /nfs/dbraw/zinc/37/62/23/1096376223.db2.gz XPDKXQTXEUULGA-UHFFFAOYSA-N -1 3 347.806 2.832 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)C1 ZINC001602824427 1096377310 /nfs/dbraw/zinc/37/73/10/1096377310.db2.gz QBEYCHVSYMKYFG-HNNXBMFYSA-N -1 3 339.443 2.841 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)C1 ZINC001602824427 1096377317 /nfs/dbraw/zinc/37/73/17/1096377317.db2.gz QBEYCHVSYMKYFG-HNNXBMFYSA-N -1 3 339.443 2.841 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602834335 1096378966 /nfs/dbraw/zinc/37/89/66/1096378966.db2.gz PRWUWEXUQXMZME-WBMJQRKESA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602834335 1096378974 /nfs/dbraw/zinc/37/89/74/1096378974.db2.gz PRWUWEXUQXMZME-WBMJQRKESA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001602833822 1096379030 /nfs/dbraw/zinc/37/90/30/1096379030.db2.gz WLIPANZVZNRVLF-MRXNPFEDSA-N -1 3 340.431 2.549 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001602833822 1096379046 /nfs/dbraw/zinc/37/90/46/1096379046.db2.gz WLIPANZVZNRVLF-MRXNPFEDSA-N -1 3 340.431 2.549 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001602833477 1096379167 /nfs/dbraw/zinc/37/91/67/1096379167.db2.gz NEYWFFJLWIHFNL-UHFFFAOYSA-N -1 3 346.410 2.797 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001602833477 1096379177 /nfs/dbraw/zinc/37/91/77/1096379177.db2.gz NEYWFFJLWIHFNL-UHFFFAOYSA-N -1 3 346.410 2.797 20 30 EFEDHM C=CC[C@@H](C(=O)[O-])N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001602835882 1096380699 /nfs/dbraw/zinc/38/06/99/1096380699.db2.gz YCZUWKPRQORINK-KBPBESRZSA-N -1 3 327.327 2.691 20 30 EFEDHM C=CCCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001602838459 1096380813 /nfs/dbraw/zinc/38/08/13/1096380813.db2.gz YCRYHPVGNRTGIL-UHFFFAOYSA-N -1 3 349.460 2.590 20 30 EFEDHM C=CCCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001602838459 1096380819 /nfs/dbraw/zinc/38/08/19/1096380819.db2.gz YCRYHPVGNRTGIL-UHFFFAOYSA-N -1 3 349.460 2.590 20 30 EFEDHM C=CCCCN(CC)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001602839602 1096381217 /nfs/dbraw/zinc/38/12/17/1096381217.db2.gz CMQDYEUFKVJJMZ-UHFFFAOYSA-N -1 3 331.445 2.774 20 30 EFEDHM C=CCCCN(CC)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001602839602 1096381225 /nfs/dbraw/zinc/38/12/25/1096381225.db2.gz CMQDYEUFKVJJMZ-UHFFFAOYSA-N -1 3 331.445 2.774 20 30 EFEDHM C=CCCCCCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001602838403 1096381824 /nfs/dbraw/zinc/38/18/24/1096381824.db2.gz WLASVDDVPYAOSU-UHFFFAOYSA-N -1 3 343.431 2.887 20 30 EFEDHM C=CCCCCCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602838403 1096381833 /nfs/dbraw/zinc/38/18/33/1096381833.db2.gz WLASVDDVPYAOSU-UHFFFAOYSA-N -1 3 343.431 2.887 20 30 EFEDHM C=CC[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC001602835886 1096381907 /nfs/dbraw/zinc/38/19/07/1096381907.db2.gz YCZUWKPRQORINK-UONOGXRCSA-N -1 3 327.327 2.691 20 30 EFEDHM C=CCCCCNC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602838421 1096381995 /nfs/dbraw/zinc/38/19/95/1096381995.db2.gz WUPDPWTWNHXBPI-HNNXBMFYSA-N -1 3 326.404 2.510 20 30 EFEDHM C=CCCCCNC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602838421 1096382000 /nfs/dbraw/zinc/38/20/00/1096382000.db2.gz WUPDPWTWNHXBPI-HNNXBMFYSA-N -1 3 326.404 2.510 20 30 EFEDHM C=CCCc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602846399 1096382794 /nfs/dbraw/zinc/38/27/94/1096382794.db2.gz LLCCGTHRFDLMMF-KRWDZBQOSA-N -1 3 349.394 2.657 20 30 EFEDHM C=CCCc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602846399 1096382803 /nfs/dbraw/zinc/38/28/03/1096382803.db2.gz LLCCGTHRFDLMMF-KRWDZBQOSA-N -1 3 349.394 2.657 20 30 EFEDHM C=CCCn1cc(CSCc2cc(-c3nnn[n-]3)ccc2F)nn1 ZINC001602846930 1096383001 /nfs/dbraw/zinc/38/30/01/1096383001.db2.gz CHZRMTNLXYRQTO-UHFFFAOYSA-N -1 3 345.407 2.607 20 30 EFEDHM C=CCCn1cc(CSCc2cc(-c3nn[n-]n3)ccc2F)nn1 ZINC001602846930 1096383008 /nfs/dbraw/zinc/38/30/08/1096383008.db2.gz CHZRMTNLXYRQTO-UHFFFAOYSA-N -1 3 345.407 2.607 20 30 EFEDHM C=CCN(C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001602847042 1096383542 /nfs/dbraw/zinc/38/35/42/1096383542.db2.gz GRKBLGDDIKLNEH-ZDUSSCGKSA-N -1 3 327.432 2.858 20 30 EFEDHM C=CCN(C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001602847042 1096383550 /nfs/dbraw/zinc/38/35/50/1096383550.db2.gz GRKBLGDDIKLNEH-ZDUSSCGKSA-N -1 3 327.432 2.858 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602851952 1096383834 /nfs/dbraw/zinc/38/38/34/1096383834.db2.gz FJTGDKXYBSQSAQ-UHFFFAOYSA-N -1 3 347.422 2.667 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602851952 1096383841 /nfs/dbraw/zinc/38/38/41/1096383841.db2.gz FJTGDKXYBSQSAQ-UHFFFAOYSA-N -1 3 347.422 2.667 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccco1 ZINC001602853803 1096385304 /nfs/dbraw/zinc/38/53/04/1096385304.db2.gz IVGQIWYYANRBNS-HJWRWDBZSA-N -1 3 335.367 2.688 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C=Cc1ccco1 ZINC001602853803 1096385312 /nfs/dbraw/zinc/38/53/12/1096385312.db2.gz IVGQIWYYANRBNS-HJWRWDBZSA-N -1 3 335.367 2.688 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)CC(=C)C ZINC001602853972 1096386073 /nfs/dbraw/zinc/38/60/73/1096386073.db2.gz OXJLCMHBNKWWKS-AWEZNQCLSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)CC(=C)C ZINC001602853972 1096386081 /nfs/dbraw/zinc/38/60/81/1096386081.db2.gz OXJLCMHBNKWWKS-AWEZNQCLSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)CSC ZINC001602854192 1096386675 /nfs/dbraw/zinc/38/66/75/1096386675.db2.gz XMTHEDQNDQBNHL-UHFFFAOYSA-N -1 3 345.472 2.771 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)CSC ZINC001602854192 1096386678 /nfs/dbraw/zinc/38/66/78/1096386678.db2.gz XMTHEDQNDQBNHL-UHFFFAOYSA-N -1 3 345.472 2.771 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)c(C)cn1 ZINC001602857811 1096387166 /nfs/dbraw/zinc/38/71/66/1096387166.db2.gz BWDAEPLXTZDGIF-UHFFFAOYSA-N -1 3 348.410 2.707 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)c(C)cn1 ZINC001602857811 1096387169 /nfs/dbraw/zinc/38/71/69/1096387169.db2.gz BWDAEPLXTZDGIF-UHFFFAOYSA-N -1 3 348.410 2.707 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NOC[C@H](C)CC ZINC001602856495 1096387227 /nfs/dbraw/zinc/38/72/27/1096387227.db2.gz MCDYCQQTDJLFBJ-CYBMUJFWSA-N -1 3 344.419 2.542 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NOC[C@H](C)CC ZINC001602856495 1096387236 /nfs/dbraw/zinc/38/72/36/1096387236.db2.gz MCDYCQQTDJLFBJ-CYBMUJFWSA-N -1 3 344.419 2.542 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1cnc(C)cn1 ZINC001602858345 1096387823 /nfs/dbraw/zinc/38/78/23/1096387823.db2.gz OYWXXJIOFUIFBI-CQSZACIVSA-N -1 3 335.415 2.714 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001602869405 1096388760 /nfs/dbraw/zinc/38/87/60/1096388760.db2.gz DFGCDQZZXTXUIA-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001602869405 1096388767 /nfs/dbraw/zinc/38/87/67/1096388767.db2.gz DFGCDQZZXTXUIA-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM C=CCO[C@H]1CCN(c2nc3ccccc3c(C)c2-c2nnn[n-]2)C1 ZINC001602866725 1096388999 /nfs/dbraw/zinc/38/89/99/1096388999.db2.gz KAQXJEKHRPVRPG-ZDUSSCGKSA-N -1 3 336.399 2.505 20 30 EFEDHM C=CCO[C@H]1CCN(c2nc3ccccc3c(C)c2-c2nn[n-]n2)C1 ZINC001602866725 1096389003 /nfs/dbraw/zinc/38/90/03/1096389003.db2.gz KAQXJEKHRPVRPG-ZDUSSCGKSA-N -1 3 336.399 2.505 20 30 EFEDHM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccccc1-c1nnn[n-]1 ZINC001602908435 1096396883 /nfs/dbraw/zinc/39/68/83/1096396883.db2.gz XLZGTIQILDLIKQ-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccccc1-c1nn[n-]n1 ZINC001602908435 1096396889 /nfs/dbraw/zinc/39/68/89/1096396889.db2.gz XLZGTIQILDLIKQ-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(N=Nc1nccnc1Cl)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001602907949 1096397506 /nfs/dbraw/zinc/39/75/06/1096397506.db2.gz DOWYKKQEMLWFNN-UHFFFAOYSA-N -1 3 349.185 2.800 20 30 EFEDHM CC(N=Nc1nccnc1Cl)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001602907949 1096397512 /nfs/dbraw/zinc/39/75/12/1096397512.db2.gz DOWYKKQEMLWFNN-UHFFFAOYSA-N -1 3 349.185 2.800 20 30 EFEDHM C[C@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001602989102 1096417202 /nfs/dbraw/zinc/41/72/02/1096417202.db2.gz NDUSIQRVTQMFOH-GFCCVEGCSA-N -1 3 349.350 2.515 20 30 EFEDHM C[C@H](C#N)OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001602989102 1096417207 /nfs/dbraw/zinc/41/72/07/1096417207.db2.gz NDUSIQRVTQMFOH-GFCCVEGCSA-N -1 3 349.350 2.515 20 30 EFEDHM CC(C)(CC#N)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001603135824 1096456200 /nfs/dbraw/zinc/45/62/00/1096456200.db2.gz SXNLSBOWTINOCL-UHFFFAOYSA-N -1 3 343.387 2.507 20 30 EFEDHM CC(C)(CC#N)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001603135824 1096456206 /nfs/dbraw/zinc/45/62/06/1096456206.db2.gz SXNLSBOWTINOCL-UHFFFAOYSA-N -1 3 343.387 2.507 20 30 EFEDHM CC(C)(C=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCCO1 ZINC001603135276 1096456919 /nfs/dbraw/zinc/45/69/19/1096456919.db2.gz KODSIKYGHNERDB-HNNXBMFYSA-N -1 3 328.420 2.537 20 30 EFEDHM CC(C)(C=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCCO1 ZINC001603135276 1096456921 /nfs/dbraw/zinc/45/69/21/1096456921.db2.gz KODSIKYGHNERDB-HNNXBMFYSA-N -1 3 328.420 2.537 20 30 EFEDHM CC(C)CN(Cc1ccc(C#N)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603294217 1096497853 /nfs/dbraw/zinc/49/78/53/1096497853.db2.gz RZSSKHWFJIJDGB-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)CO[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cn2)C1(C)C ZINC001603299530 1096499559 /nfs/dbraw/zinc/49/95/59/1096499559.db2.gz LSZGSRGVPAZHOT-CYBMUJFWSA-N -1 3 329.408 2.501 20 30 EFEDHM CC(C)CO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cn2)C1(C)C ZINC001603299530 1096499562 /nfs/dbraw/zinc/49/95/62/1096499562.db2.gz LSZGSRGVPAZHOT-CYBMUJFWSA-N -1 3 329.408 2.501 20 30 EFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C#N)c1 ZINC001603330160 1096506837 /nfs/dbraw/zinc/50/68/37/1096506837.db2.gz JKUPUAIIXZRGSA-UHFFFAOYSA-N -1 3 346.394 2.789 20 30 EFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C#N)c1 ZINC001603330160 1096506839 /nfs/dbraw/zinc/50/68/39/1096506839.db2.gz JKUPUAIIXZRGSA-UHFFFAOYSA-N -1 3 346.394 2.789 20 30 EFEDHM CC(C)c1c(Cl)ncnc1N=NCc1ccccc1-c1nn[n-]n1 ZINC001603391390 1096518506 /nfs/dbraw/zinc/51/85/06/1096518506.db2.gz ODWVOORQKNWATP-UHFFFAOYSA-N -1 3 342.794 2.880 20 30 EFEDHM CC(C)c1nccnc1N=NC1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001603415892 1096524062 /nfs/dbraw/zinc/52/40/62/1096524062.db2.gz NLBAUBJEGFAOTR-UHFFFAOYSA-N -1 3 348.414 2.933 20 30 EFEDHM CC(C)c1nccnc1N=NC1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001603415892 1096524068 /nfs/dbraw/zinc/52/40/68/1096524068.db2.gz NLBAUBJEGFAOTR-UHFFFAOYSA-N -1 3 348.414 2.933 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ccc(Cl)c(C#N)n1 ZINC001603733036 1096607621 /nfs/dbraw/zinc/60/76/21/1096607621.db2.gz UEKQSFLKZPEYGP-SNVBAGLBSA-N -1 3 339.790 2.984 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ccc(Cl)c(C#N)n1 ZINC001603733036 1096607626 /nfs/dbraw/zinc/60/76/26/1096607626.db2.gz UEKQSFLKZPEYGP-SNVBAGLBSA-N -1 3 339.790 2.984 20 30 EFEDHM C[C@@H]1CC(CCNc2c(C#N)cccc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001603850978 1096645418 /nfs/dbraw/zinc/64/54/18/1096645418.db2.gz OSYDZRMUUFCTTE-VXGBXAGGSA-N -1 3 326.404 2.744 20 30 EFEDHM C[C@@H]1CC(CCNc2c(C#N)cccc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001603850978 1096645420 /nfs/dbraw/zinc/64/54/20/1096645420.db2.gz OSYDZRMUUFCTTE-VXGBXAGGSA-N -1 3 326.404 2.744 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001603892953 1096662697 /nfs/dbraw/zinc/66/26/97/1096662697.db2.gz UAUJDJHYXJXRGU-NXEZZACHSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001603892953 1096662699 /nfs/dbraw/zinc/66/26/99/1096662699.db2.gz UAUJDJHYXJXRGU-NXEZZACHSA-N -1 3 329.433 2.634 20 30 EFEDHM CCC(C#N)(CC)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001603978320 1096685574 /nfs/dbraw/zinc/68/55/74/1096685574.db2.gz XACUQUIFTRMBKF-HNNXBMFYSA-N -1 3 338.415 2.690 20 30 EFEDHM CCC(C#N)(CC)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001603978320 1096685576 /nfs/dbraw/zinc/68/55/76/1096685576.db2.gz XACUQUIFTRMBKF-HNNXBMFYSA-N -1 3 338.415 2.690 20 30 EFEDHM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001604015283 1096699291 /nfs/dbraw/zinc/69/92/91/1096699291.db2.gz GSRWZDQDUJPHTC-QMMMGPOBSA-N -1 3 338.293 2.655 20 30 EFEDHM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001604015283 1096699300 /nfs/dbraw/zinc/69/93/00/1096699300.db2.gz GSRWZDQDUJPHTC-QMMMGPOBSA-N -1 3 338.293 2.655 20 30 EFEDHM CCCCCCCC(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001604175182 1096762026 /nfs/dbraw/zinc/76/20/26/1096762026.db2.gz BOXRKBNZOIBZBM-UHFFFAOYSA-N -1 3 343.431 2.817 20 30 EFEDHM CCCCCCCN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001604176495 1096762220 /nfs/dbraw/zinc/76/22/20/1096762220.db2.gz RLJIZNYQPSVZLX-HNNXBMFYSA-N -1 3 331.420 2.641 20 30 EFEDHM CCCCCCCN[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001604176495 1096762224 /nfs/dbraw/zinc/76/22/24/1096762224.db2.gz RLJIZNYQPSVZLX-HNNXBMFYSA-N -1 3 331.420 2.641 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC001604510358 1096885552 /nfs/dbraw/zinc/88/55/52/1096885552.db2.gz ANRFSVHKLOJQCC-UHFFFAOYSA-N -1 3 338.396 2.543 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC001604510358 1096885558 /nfs/dbraw/zinc/88/55/58/1096885558.db2.gz ANRFSVHKLOJQCC-UHFFFAOYSA-N -1 3 338.396 2.543 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1sccc1-c1nnn[n-]1 ZINC001604511286 1096886815 /nfs/dbraw/zinc/88/68/15/1096886815.db2.gz WIZLPKVJIFLLFE-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1ccc(C#CC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001604517918 1096888577 /nfs/dbraw/zinc/88/85/77/1096888577.db2.gz BUAGQFPHCBWNKD-AWEZNQCLSA-N -1 3 345.406 2.658 20 30 EFEDHM CCc1ccc(C#CC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001604517918 1096888583 /nfs/dbraw/zinc/88/85/83/1096888583.db2.gz BUAGQFPHCBWNKD-AWEZNQCLSA-N -1 3 345.406 2.658 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001604649111 1096922658 /nfs/dbraw/zinc/92/26/58/1096922658.db2.gz LLYHVOOHYBRBFB-DLBZAZTESA-N -1 3 344.378 2.505 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001604649111 1096922662 /nfs/dbraw/zinc/92/26/62/1096922662.db2.gz LLYHVOOHYBRBFB-DLBZAZTESA-N -1 3 344.378 2.505 20 30 EFEDHM CN(CC1CC1)c1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001604728396 1096942364 /nfs/dbraw/zinc/94/23/64/1096942364.db2.gz NPAPLGLOWDSWHT-UHFFFAOYSA-N -1 3 337.431 2.639 20 30 EFEDHM CN(CC1CC1)c1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001604728396 1096942368 /nfs/dbraw/zinc/94/23/68/1096942368.db2.gz NPAPLGLOWDSWHT-UHFFFAOYSA-N -1 3 337.431 2.639 20 30 EFEDHM COCC1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCCCC1 ZINC001605067636 1097014178 /nfs/dbraw/zinc/01/41/78/1097014178.db2.gz DHISDQMRFNHETN-UHFFFAOYSA-N -1 3 326.404 2.747 20 30 EFEDHM COCC1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCCCC1 ZINC001605067636 1097014184 /nfs/dbraw/zinc/01/41/84/1097014184.db2.gz DHISDQMRFNHETN-UHFFFAOYSA-N -1 3 326.404 2.747 20 30 EFEDHM COc1cc(C#N)ccc1COc1c(C(C)=O)cccc1-c1nnn[n-]1 ZINC001605191041 1097048120 /nfs/dbraw/zinc/04/81/20/1097048120.db2.gz GHSUXIQBHHVKST-UHFFFAOYSA-N -1 3 349.350 2.529 20 30 EFEDHM COc1cc(C#N)ccc1COc1c(C(C)=O)cccc1-c1nn[n-]n1 ZINC001605191041 1097048126 /nfs/dbraw/zinc/04/81/26/1097048126.db2.gz GHSUXIQBHHVKST-UHFFFAOYSA-N -1 3 349.350 2.529 20 30 EFEDHM COc1cc(C)cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C ZINC001605203535 1097050275 /nfs/dbraw/zinc/05/02/75/1097050275.db2.gz SCWXQQCWKLVARX-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(C)cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1C ZINC001605203535 1097050281 /nfs/dbraw/zinc/05/02/81/1097050281.db2.gz SCWXQQCWKLVARX-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC001605224322 1097059324 /nfs/dbraw/zinc/05/93/24/1097059324.db2.gz NWHLHOQKMLBQEL-UHFFFAOYSA-N -1 3 332.364 2.912 20 30 EFEDHM CCCC[C@@H](C(=O)[O-])N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001605234163 1097063181 /nfs/dbraw/zinc/06/31/81/1097063181.db2.gz LNSZPXOHYNGDES-INIZCTEOSA-N -1 3 335.835 2.977 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001605303879 1097088837 /nfs/dbraw/zinc/08/88/37/1097088837.db2.gz YODVTNBTYQKHDL-FNORWQNLSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001605303879 1097088843 /nfs/dbraw/zinc/08/88/43/1097088843.db2.gz YODVTNBTYQKHDL-FNORWQNLSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1cccc(C=N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1O ZINC001605320005 1097095224 /nfs/dbraw/zinc/09/52/24/1097095224.db2.gz XIJWTNCNWITNJU-SMLKNPDNSA-N -1 3 335.367 2.687 20 30 EFEDHM COc1cccc(C=N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1O ZINC001605320005 1097095229 /nfs/dbraw/zinc/09/52/29/1097095229.db2.gz XIJWTNCNWITNJU-SMLKNPDNSA-N -1 3 335.367 2.687 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001605338537 1097100821 /nfs/dbraw/zinc/10/08/21/1097100821.db2.gz WZIDHZBRJTZYMW-PLNGDYQASA-N -1 3 330.344 2.972 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001605338537 1097100826 /nfs/dbraw/zinc/10/08/26/1097100826.db2.gz WZIDHZBRJTZYMW-PLNGDYQASA-N -1 3 330.344 2.972 20 30 EFEDHM CSCc1cnc(C=NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC001605381290 1097111723 /nfs/dbraw/zinc/11/17/23/1097111723.db2.gz SCWFPFBBNQPFHH-UHFFFAOYSA-N -1 3 331.430 2.632 20 30 EFEDHM CSCc1cnc(C=NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC001605381290 1097111728 /nfs/dbraw/zinc/11/17/28/1097111728.db2.gz SCWFPFBBNQPFHH-UHFFFAOYSA-N -1 3 331.430 2.632 20 30 EFEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)NC1(C#N)CCC1 ZINC001605477450 1097134502 /nfs/dbraw/zinc/13/45/02/1097134502.db2.gz CZRHMUHAGFGRKZ-UHFFFAOYSA-N -1 3 338.396 2.566 20 30 EFEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)NC1(C#N)CCC1 ZINC001605477450 1097134504 /nfs/dbraw/zinc/13/45/04/1097134504.db2.gz CZRHMUHAGFGRKZ-UHFFFAOYSA-N -1 3 338.396 2.566 20 30 EFEDHM Cc1c(Cl)cnc(N(C)Cc2cc(-c3nnn[n-]3)cs2)c1C#N ZINC001605490489 1097137380 /nfs/dbraw/zinc/13/73/80/1097137380.db2.gz UOSTVBNBYJTJFO-UHFFFAOYSA-N -1 3 345.819 2.793 20 30 EFEDHM Cc1c(Cl)cnc(N(C)Cc2cc(-c3nn[n-]n3)cs2)c1C#N ZINC001605490489 1097137384 /nfs/dbraw/zinc/13/73/84/1097137384.db2.gz UOSTVBNBYJTJFO-UHFFFAOYSA-N -1 3 345.819 2.793 20 30 EFEDHM Cc1c(NCCCC2(C#N)CCOCC2)cccc1-c1nnn[n-]1 ZINC001605500195 1097139653 /nfs/dbraw/zinc/13/96/53/1097139653.db2.gz NWTXDNAWHFSQFT-UHFFFAOYSA-N -1 3 326.404 2.688 20 30 EFEDHM Cc1c(NCCCC2(C#N)CCOCC2)cccc1-c1nn[n-]n1 ZINC001605500195 1097139655 /nfs/dbraw/zinc/13/96/55/1097139655.db2.gz NWTXDNAWHFSQFT-UHFFFAOYSA-N -1 3 326.404 2.688 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN1CCc2c1cccc2C#N ZINC001605520223 1097144292 /nfs/dbraw/zinc/14/42/92/1097144292.db2.gz ANBKFJUFBOGIHI-UHFFFAOYSA-N -1 3 330.395 2.918 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN1CCc2c1cccc2C#N ZINC001605520223 1097144295 /nfs/dbraw/zinc/14/42/95/1097144295.db2.gz ANBKFJUFBOGIHI-UHFFFAOYSA-N -1 3 330.395 2.918 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1sccc1C#N ZINC001605517790 1097144841 /nfs/dbraw/zinc/14/48/41/1097144841.db2.gz FJWJPFPZOMMXBJ-UHFFFAOYSA-N -1 3 338.396 2.598 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1sccc1C#N ZINC001605517790 1097144847 /nfs/dbraw/zinc/14/48/47/1097144847.db2.gz FJWJPFPZOMMXBJ-UHFFFAOYSA-N -1 3 338.396 2.598 20 30 EFEDHM Cc1cc(C#N)cnc1C(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001605588451 1097164211 /nfs/dbraw/zinc/16/42/11/1097164211.db2.gz CFHZFXRXVMPJLN-UHFFFAOYSA-N -1 3 348.366 2.586 20 30 EFEDHM Cc1cc(C#N)cc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC001605589239 1097165183 /nfs/dbraw/zinc/16/51/83/1097165183.db2.gz URAXYHBSYXGUCH-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM Cc1cc(C#N)cc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC001605589239 1097165186 /nfs/dbraw/zinc/16/51/86/1097165186.db2.gz URAXYHBSYXGUCH-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM Cc1cc(C)cc([C@@H](O)CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001605643960 1097178609 /nfs/dbraw/zinc/17/86/09/1097178609.db2.gz GTBWITKTWAMZCW-INIZCTEOSA-N -1 3 334.383 2.501 20 30 EFEDHM Cc1cc(C)cc([C@@H](O)CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001605643960 1097178611 /nfs/dbraw/zinc/17/86/11/1097178611.db2.gz GTBWITKTWAMZCW-INIZCTEOSA-N -1 3 334.383 2.501 20 30 EFEDHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1C#N ZINC001605663048 1097183385 /nfs/dbraw/zinc/18/33/85/1097183385.db2.gz JVVFRROMUUCHAU-CMDGGOBGSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1C#N ZINC001605663048 1097183389 /nfs/dbraw/zinc/18/33/89/1097183389.db2.gz JVVFRROMUUCHAU-CMDGGOBGSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c(C)s1 ZINC001605667549 1097186768 /nfs/dbraw/zinc/18/67/68/1097186768.db2.gz VIWKYGCXUWTOHY-UHFFFAOYSA-N -1 3 343.441 2.686 20 30 EFEDHM Cc1cc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c(C)s1 ZINC001605667549 1097186774 /nfs/dbraw/zinc/18/67/74/1097186774.db2.gz VIWKYGCXUWTOHY-UHFFFAOYSA-N -1 3 343.441 2.686 20 30 EFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001605806172 1097233671 /nfs/dbraw/zinc/23/36/71/1097233671.db2.gz WXBQVKQTHVXTMM-UITAMQMPSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001605806172 1097233673 /nfs/dbraw/zinc/23/36/73/1097233673.db2.gz WXBQVKQTHVXTMM-UITAMQMPSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)cn2c1 ZINC001605893651 1097268999 /nfs/dbraw/zinc/26/89/99/1097268999.db2.gz JHOKSPVVNFPOTD-GQCTYLIASA-N -1 3 348.341 2.858 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)cn2c1 ZINC001605893651 1097269005 /nfs/dbraw/zinc/26/90/05/1097269005.db2.gz JHOKSPVVNFPOTD-GQCTYLIASA-N -1 3 348.341 2.858 20 30 EFEDHM CN(C(=O)CN[C@]1(C(=O)[O-])CCCC(C)(C)C1)C1(C#N)CCCCC1 ZINC001605962239 1097287165 /nfs/dbraw/zinc/28/71/65/1097287165.db2.gz KNXTWWZZTGLDKB-LJQANCHMSA-N -1 3 349.475 2.684 20 30 EFEDHM Cc1csc(CCCCNc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001606000662 1097295170 /nfs/dbraw/zinc/29/51/70/1097295170.db2.gz DLPYEMORIAFCFQ-UHFFFAOYSA-N -1 3 339.428 2.938 20 30 EFEDHM Cc1csc(CCCCNc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001606000662 1097295175 /nfs/dbraw/zinc/29/51/75/1097295175.db2.gz DLPYEMORIAFCFQ-UHFFFAOYSA-N -1 3 339.428 2.938 20 30 EFEDHM Cc1nc(C#N)n(Cc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)c1C ZINC001606023978 1097300738 /nfs/dbraw/zinc/30/07/38/1097300738.db2.gz QTYNWFYSQXYOFZ-UHFFFAOYSA-N -1 3 347.304 2.619 20 30 EFEDHM Cc1nc(C#N)n(Cc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1C ZINC001606023978 1097300745 /nfs/dbraw/zinc/30/07/45/1097300745.db2.gz QTYNWFYSQXYOFZ-UHFFFAOYSA-N -1 3 347.304 2.619 20 30 EFEDHM Cc1nc(C#N)c(N=NC2CCCCc3cc(-c4nnn[n-]4)ccc32)o1 ZINC001606024195 1097300787 /nfs/dbraw/zinc/30/07/87/1097300787.db2.gz WAWPEFNTEBVZNI-UHFFFAOYSA-N -1 3 348.370 2.577 20 30 EFEDHM Cc1nc(C#N)c(N=NC2CCCCc3cc(-c4nn[n-]n4)ccc32)o1 ZINC001606024195 1097300792 /nfs/dbraw/zinc/30/07/92/1097300792.db2.gz WAWPEFNTEBVZNI-UHFFFAOYSA-N -1 3 348.370 2.577 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1cccc(Cl)c1Cl ZINC001606023954 1097300997 /nfs/dbraw/zinc/30/09/97/1097300997.db2.gz PFHJSZTWLLGDSM-UHFFFAOYSA-N -1 3 334.170 2.598 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1cccc(Cl)c1Cl ZINC001606023954 1097301004 /nfs/dbraw/zinc/30/10/04/1097301004.db2.gz PFHJSZTWLLGDSM-UHFFFAOYSA-N -1 3 334.170 2.598 20 30 EFEDHM Cc1sc(NC(=O)c2ccsc2C#N)c(-c2nnn[n-]2)c1C ZINC001606181701 1097340276 /nfs/dbraw/zinc/34/02/76/1097340276.db2.gz CRRRFMMRXOWQMF-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Cc1sc(NC(=O)c2ccsc2C#N)c(-c2nn[n-]n2)c1C ZINC001606181701 1097340280 /nfs/dbraw/zinc/34/02/80/1097340280.db2.gz CRRRFMMRXOWQMF-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCc3occc32)n1 ZINC001606184565 1097340327 /nfs/dbraw/zinc/34/03/27/1097340327.db2.gz IMPGDXABTPIDMU-UHFFFAOYSA-N -1 3 329.751 2.661 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCc3occc32)n1 ZINC001606184565 1097340331 /nfs/dbraw/zinc/34/03/31/1097340331.db2.gz IMPGDXABTPIDMU-UHFFFAOYSA-N -1 3 329.751 2.661 20 30 EFEDHM FC1(F)CCC[C@H]1CNN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001606300476 1097366458 /nfs/dbraw/zinc/36/64/58/1097366458.db2.gz VQFJUQCIUWZBOQ-LBPRGKRZSA-N -1 3 332.358 2.542 20 30 EFEDHM FC1(F)CCC[C@H]1CNN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001606300476 1097366461 /nfs/dbraw/zinc/36/64/61/1097366461.db2.gz VQFJUQCIUWZBOQ-LBPRGKRZSA-N -1 3 332.358 2.542 20 30 EFEDHM FC1(F)CC[C@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC001606301687 1097368811 /nfs/dbraw/zinc/36/88/11/1097368811.db2.gz WQJMUILINBBCCL-ZETCQYMHSA-N -1 3 327.726 2.748 20 30 EFEDHM FC1(F)CC[C@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC001606301687 1097368816 /nfs/dbraw/zinc/36/88/16/1097368816.db2.gz WQJMUILINBBCCL-ZETCQYMHSA-N -1 3 327.726 2.748 20 30 EFEDHM C=CCCC1(C(=O)N[C@@H](C)CCNC(=O)c2ccccc2[O-])CC1 ZINC001075671088 1097373852 /nfs/dbraw/zinc/37/38/52/1097373852.db2.gz UVNRXBBNUZESRZ-AWEZNQCLSA-N -1 3 330.428 2.763 20 30 EFEDHM Fc1ccc(F)c(CNN=C2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC001606319935 1097380480 /nfs/dbraw/zinc/38/04/80/1097380480.db2.gz ZOQADUAGCLYAFA-UHFFFAOYSA-N -1 3 340.337 2.585 20 30 EFEDHM Fc1ccc(F)c(CNN=C2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC001606319935 1097380485 /nfs/dbraw/zinc/38/04/85/1097380485.db2.gz ZOQADUAGCLYAFA-UHFFFAOYSA-N -1 3 340.337 2.585 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)no1 ZINC001606337646 1097386608 /nfs/dbraw/zinc/38/66/08/1097386608.db2.gz KXRXJIBYWDWVNK-HNNXBMFYSA-N -1 3 343.350 2.767 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)no1 ZINC001606337646 1097386613 /nfs/dbraw/zinc/38/66/13/1097386613.db2.gz KXRXJIBYWDWVNK-HNNXBMFYSA-N -1 3 343.350 2.767 20 30 EFEDHM N#C[C@@]1(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CC12CCCC2 ZINC001606339989 1097387328 /nfs/dbraw/zinc/38/73/28/1097387328.db2.gz BWLUTEDWHRIVGD-QGZVFWFLSA-N -1 3 341.346 2.523 20 30 EFEDHM N#C[C@@]1(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CC12CCCC2 ZINC001606339989 1097387335 /nfs/dbraw/zinc/38/73/35/1097387335.db2.gz BWLUTEDWHRIVGD-QGZVFWFLSA-N -1 3 341.346 2.523 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC12CCCC2 ZINC001606339938 1097387670 /nfs/dbraw/zinc/38/76/70/1097387670.db2.gz AJDOLDNMSHIBNX-MRXNPFEDSA-N -1 3 342.790 2.933 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC12CCCC2 ZINC001606339938 1097387674 /nfs/dbraw/zinc/38/76/74/1097387674.db2.gz AJDOLDNMSHIBNX-MRXNPFEDSA-N -1 3 342.790 2.933 20 30 EFEDHM N#CC1(CCCCOC(=O)c2sccc2-c2nnn[n-]2)CCC1 ZINC001606343994 1097389444 /nfs/dbraw/zinc/38/94/44/1097389444.db2.gz VYTHSMYKEZIBCO-UHFFFAOYSA-N -1 3 331.401 2.949 20 30 EFEDHM N#CC1(CCOC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001606343248 1097389513 /nfs/dbraw/zinc/38/95/13/1097389513.db2.gz KNUOYKGMIYBCNT-UHFFFAOYSA-N -1 3 325.372 2.888 20 30 EFEDHM N#CC1(CCOC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001606343248 1097389521 /nfs/dbraw/zinc/38/95/21/1097389521.db2.gz KNUOYKGMIYBCNT-UHFFFAOYSA-N -1 3 325.372 2.888 20 30 EFEDHM N#CC1(CNc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCCC1 ZINC001606343316 1097389814 /nfs/dbraw/zinc/38/98/14/1097389814.db2.gz MDRMIMLUCRHPPH-UHFFFAOYSA-N -1 3 334.387 2.548 20 30 EFEDHM N#CC1(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CCC1 ZINC001606343112 1097389921 /nfs/dbraw/zinc/38/99/21/1097389921.db2.gz JWAZKRLDFYJDRB-UHFFFAOYSA-N -1 3 339.790 2.596 20 30 EFEDHM N#CC1(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CCC1 ZINC001606343112 1097389924 /nfs/dbraw/zinc/38/99/24/1097389924.db2.gz JWAZKRLDFYJDRB-UHFFFAOYSA-N -1 3 339.790 2.596 20 30 EFEDHM N#CCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001606345789 1097389943 /nfs/dbraw/zinc/38/99/43/1097389943.db2.gz JAZKWQXCDVOUAN-UHFFFAOYSA-N -1 3 349.354 2.686 20 30 EFEDHM N#CC1(CNc2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)CCC1 ZINC001606344065 1097389970 /nfs/dbraw/zinc/38/99/70/1097389970.db2.gz XAQGTYRQKJAEPZ-UHFFFAOYSA-N -1 3 348.370 2.555 20 30 EFEDHM N#CC1(CNc2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)CCC1 ZINC001606344065 1097389971 /nfs/dbraw/zinc/38/99/71/1097389971.db2.gz XAQGTYRQKJAEPZ-UHFFFAOYSA-N -1 3 348.370 2.555 20 30 EFEDHM N#CCC1(COc2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC001606345941 1097390051 /nfs/dbraw/zinc/39/00/51/1097390051.db2.gz KLBSHHMUHRXXEQ-UHFFFAOYSA-N -1 3 334.177 2.702 20 30 EFEDHM N#CCC1(COc2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC001606345941 1097390056 /nfs/dbraw/zinc/39/00/56/1097390056.db2.gz KLBSHHMUHRXXEQ-UHFFFAOYSA-N -1 3 334.177 2.702 20 30 EFEDHM N#CC1CCC(CNc2nc3ncccc3cc2-c2nnn[n-]2)CC1 ZINC001606344123 1097390081 /nfs/dbraw/zinc/39/00/81/1097390081.db2.gz GFCRLXOJOKJAFZ-UHFFFAOYSA-N -1 3 334.387 2.552 20 30 EFEDHM N#CC1CCC(CNc2nc3ncccc3cc2-c2nn[n-]n2)CC1 ZINC001606344123 1097390088 /nfs/dbraw/zinc/39/00/88/1097390088.db2.gz GFCRLXOJOKJAFZ-UHFFFAOYSA-N -1 3 334.387 2.552 20 30 EFEDHM N#CCCc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001606349906 1097391354 /nfs/dbraw/zinc/39/13/54/1097391354.db2.gz ZJQXCCRWKGJUHR-XFXZXTDPSA-N -1 3 344.378 2.975 20 30 EFEDHM N#CCCc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001606349906 1097391359 /nfs/dbraw/zinc/39/13/59/1097391359.db2.gz ZJQXCCRWKGJUHR-XFXZXTDPSA-N -1 3 344.378 2.975 20 30 EFEDHM N#CCCc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001606349902 1097391533 /nfs/dbraw/zinc/39/15/33/1097391533.db2.gz ZJQXCCRWKGJUHR-FMIVXFBMSA-N -1 3 344.378 2.975 20 30 EFEDHM N#CCCc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001606349902 1097391539 /nfs/dbraw/zinc/39/15/39/1097391539.db2.gz ZJQXCCRWKGJUHR-FMIVXFBMSA-N -1 3 344.378 2.975 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2cccc(C3CC3)c2)ccc1-c1nnn[n-]1 ZINC001606361207 1097392231 /nfs/dbraw/zinc/39/22/31/1097392231.db2.gz IRBPZGHKSBELIH-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2cccc(C3CC3)c2)ccc1-c1nn[n-]n1 ZINC001606361207 1097392236 /nfs/dbraw/zinc/39/22/36/1097392236.db2.gz IRBPZGHKSBELIH-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)nc2ccccc12 ZINC001606361609 1097392436 /nfs/dbraw/zinc/39/24/36/1097392436.db2.gz UUMOKLKOPMLICO-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)nc2ccccc12 ZINC001606361609 1097392437 /nfs/dbraw/zinc/39/24/37/1097392437.db2.gz UUMOKLKOPMLICO-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001606354680 1097392508 /nfs/dbraw/zinc/39/25/08/1097392508.db2.gz PLZREZUCNAMGOO-WCQYABFASA-N -1 3 348.370 2.553 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001606354680 1097392512 /nfs/dbraw/zinc/39/25/12/1097392512.db2.gz PLZREZUCNAMGOO-WCQYABFASA-N -1 3 348.370 2.553 20 30 EFEDHM N#Cc1cc(F)cc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001606361407 1097392569 /nfs/dbraw/zinc/39/25/69/1097392569.db2.gz GPVICRYIGDHIIN-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(F)cc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001606361407 1097392574 /nfs/dbraw/zinc/39/25/74/1097392574.db2.gz GPVICRYIGDHIIN-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001606354492 1097392626 /nfs/dbraw/zinc/39/26/26/1097392626.db2.gz KGRDMQUPGHAWEB-WCBMZHEXSA-N -1 3 333.193 2.733 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001606354492 1097392631 /nfs/dbraw/zinc/39/26/31/1097392631.db2.gz KGRDMQUPGHAWEB-WCBMZHEXSA-N -1 3 333.193 2.733 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001606369226 1097393750 /nfs/dbraw/zinc/39/37/50/1097393750.db2.gz UDVJIDKEZBGBIL-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001606369226 1097393756 /nfs/dbraw/zinc/39/37/56/1097393756.db2.gz UDVJIDKEZBGBIL-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1cc(F)cnc1Cl ZINC001606379575 1097395279 /nfs/dbraw/zinc/39/52/79/1097395279.db2.gz DYLGKEBGDDPKDI-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1cc(F)cnc1Cl ZINC001606379575 1097395285 /nfs/dbraw/zinc/39/52/85/1097395285.db2.gz DYLGKEBGDDPKDI-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM N#Cc1ccc(OCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001606379374 1097395906 /nfs/dbraw/zinc/39/59/06/1097395906.db2.gz SMECTDRBLSWKHK-UHFFFAOYSA-N -1 3 340.774 2.883 20 30 EFEDHM N#Cc1ccc(OCCNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001606379374 1097395911 /nfs/dbraw/zinc/39/59/11/1097395911.db2.gz SMECTDRBLSWKHK-UHFFFAOYSA-N -1 3 340.774 2.883 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1cccc(C(F)(F)F)n1 ZINC001606380217 1097396484 /nfs/dbraw/zinc/39/64/84/1097396484.db2.gz RXARAAAHORPVFT-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1cccc(C(F)(F)F)n1 ZINC001606380217 1097396488 /nfs/dbraw/zinc/39/64/88/1097396488.db2.gz RXARAAAHORPVFT-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1ccccc1C=Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001606384869 1097396549 /nfs/dbraw/zinc/39/65/49/1097396549.db2.gz HLUSUCATKVBRIT-MDZDMXLPSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccccc1C=Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001606384869 1097396553 /nfs/dbraw/zinc/39/65/53/1097396553.db2.gz HLUSUCATKVBRIT-MDZDMXLPSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1F ZINC001606381812 1097396612 /nfs/dbraw/zinc/39/66/12/1097396612.db2.gz VFZKEJQHCOBXES-HNNXBMFYSA-N -1 3 335.346 2.762 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1F ZINC001606381812 1097396616 /nfs/dbraw/zinc/39/66/16/1097396616.db2.gz VFZKEJQHCOBXES-HNNXBMFYSA-N -1 3 335.346 2.762 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc(-n2cccn2)cc1 ZINC001606380030 1097397234 /nfs/dbraw/zinc/39/72/34/1097397234.db2.gz PKOJXRNIBHARNL-UHFFFAOYSA-N -1 3 329.323 2.716 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc(-n2cccn2)cc1 ZINC001606380030 1097397240 /nfs/dbraw/zinc/39/72/40/1097397240.db2.gz PKOJXRNIBHARNL-UHFFFAOYSA-N -1 3 329.323 2.716 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001606389904 1097398094 /nfs/dbraw/zinc/39/80/94/1097398094.db2.gz UDZLRHMYSKBVCG-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001606389904 1097398098 /nfs/dbraw/zinc/39/80/98/1097398098.db2.gz UDZLRHMYSKBVCG-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ncccc1OCc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001606398563 1097398825 /nfs/dbraw/zinc/39/88/25/1097398825.db2.gz KHGHMMJJUSPDBN-UHFFFAOYSA-N -1 3 346.272 2.731 20 30 EFEDHM N#Cc1ncccc1OCc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001606398563 1097398832 /nfs/dbraw/zinc/39/88/32/1097398832.db2.gz KHGHMMJJUSPDBN-UHFFFAOYSA-N -1 3 346.272 2.731 20 30 EFEDHM O=C(C=Cc1ccnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606487622 1097407229 /nfs/dbraw/zinc/40/72/29/1097407229.db2.gz VTVZJEGSRYFFJV-ZHACJKMWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606487622 1097407234 /nfs/dbraw/zinc/40/72/34/1097407234.db2.gz VTVZJEGSRYFFJV-ZHACJKMWSA-N -1 3 342.362 2.949 20 30 EFEDHM COC(=O)c1cc(CN[C@H](C)c2cccc(C#N)c2)cc(C(=O)[O-])c1 ZINC001606543264 1097417528 /nfs/dbraw/zinc/41/75/28/1097417528.db2.gz WPTPCYRWCZFABM-GFCCVEGCSA-N -1 3 338.363 2.894 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1cccc([N+](=O)[O-])c1 ZINC001607038235 1097501487 /nfs/dbraw/zinc/50/14/87/1097501487.db2.gz VIHRYDYBXPTXFE-MLPAPPSSSA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1cccc([N+](=O)[O-])c1 ZINC001607038235 1097501492 /nfs/dbraw/zinc/50/14/92/1097501492.db2.gz VIHRYDYBXPTXFE-MLPAPPSSSA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)Oc2cc(F)cc(F)c21 ZINC001607036836 1097501791 /nfs/dbraw/zinc/50/17/91/1097501791.db2.gz NRNMZPARTUXCCQ-YIXHJXPBSA-N -1 3 344.252 2.900 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)Oc2cc(F)cc(F)c21 ZINC001607036836 1097501796 /nfs/dbraw/zinc/50/17/96/1097501796.db2.gz NRNMZPARTUXCCQ-YIXHJXPBSA-N -1 3 344.252 2.900 20 30 EFEDHM O=C1C(=Cc2cccc3c2CCC3)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001607038405 1097502010 /nfs/dbraw/zinc/50/20/10/1097502010.db2.gz YAVDZPIVOBDQKO-OQLLNIDSSA-N -1 3 343.390 2.963 20 30 EFEDHM O=C1C(=Cc2cccc3c2CCC3)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001607038405 1097502012 /nfs/dbraw/zinc/50/20/12/1097502012.db2.gz YAVDZPIVOBDQKO-OQLLNIDSSA-N -1 3 343.390 2.963 20 30 EFEDHM O=C1CC(=Cc2cc(-c3nnn[n-]3)cs2)C(=O)c2ccccc2N1 ZINC001607036797 1097502067 /nfs/dbraw/zinc/50/20/67/1097502067.db2.gz AEPSWACRJBHPLE-UITAMQMPSA-N -1 3 337.364 2.537 20 30 EFEDHM O=C1CC(=Cc2cc(-c3nn[n-]n3)cs2)C(=O)c2ccccc2N1 ZINC001607036797 1097502068 /nfs/dbraw/zinc/50/20/68/1097502068.db2.gz AEPSWACRJBHPLE-UITAMQMPSA-N -1 3 337.364 2.537 20 30 EFEDHM Cc1oc(CN(C)CCC(=O)Nc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001608046243 1097815821 /nfs/dbraw/zinc/81/58/21/1097815821.db2.gz VLIUUEVJNKVWMM-UHFFFAOYSA-N -1 3 341.367 2.619 20 30 EFEDHM Cn1c(C(=O)[O-])ccc1C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC001608078841 1097826728 /nfs/dbraw/zinc/82/67/28/1097826728.db2.gz KSBAVPGOUROABZ-VIFPVBQESA-N -1 3 343.339 2.962 20 30 EFEDHM N#CCC1(CN[C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)CC1 ZINC001608178054 1097852740 /nfs/dbraw/zinc/85/27/40/1097852740.db2.gz ITILPUXBIRTJDG-LBPRGKRZSA-N -1 3 328.290 2.994 20 30 EFEDHM N#C[C@H]1CNCC12CC(C(=O)Nc1cc3ccccc3cc1C(=O)[O-])C2 ZINC001608179088 1097852923 /nfs/dbraw/zinc/85/29/23/1097852923.db2.gz FRHIHXHRJBAZOC-CHWWFWEZSA-N -1 3 349.390 2.616 20 30 EFEDHM N#CCC1(CN[C@@H](C(=O)[O-])c2ccccc2OC(F)(F)F)CC1 ZINC001608178051 1097853337 /nfs/dbraw/zinc/85/33/37/1097853337.db2.gz ITILPUXBIRTJDG-GFCCVEGCSA-N -1 3 328.290 2.994 20 30 EFEDHM N#Cc1c(CN2C[C@H]3COC[C@@]3(c3ccccc3)C2)cccc1C(=O)[O-] ZINC001608191497 1097856557 /nfs/dbraw/zinc/85/65/57/1097856557.db2.gz WPNYCODTHXBQMT-LAUBAEHRSA-N -1 3 348.402 2.656 20 30 EFEDHM N#Cc1cc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)ccc1F ZINC001608196468 1097858410 /nfs/dbraw/zinc/85/84/10/1097858410.db2.gz CDRDYAGDIGDHHQ-QGZVFWFLSA-N -1 3 326.327 2.548 20 30 EFEDHM N#Cc1cccc([N+](=O)[O-])c1CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC001608221425 1097869234 /nfs/dbraw/zinc/86/92/34/1097869234.db2.gz UZUQIONXRFIBHC-PJODQICGSA-N -1 3 329.356 2.684 20 30 EFEDHM C#CCN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001609020774 1098112729 /nfs/dbraw/zinc/11/27/29/1098112729.db2.gz HSELUODPAZYNMB-UHFFFAOYSA-N -1 3 348.366 2.756 20 30 EFEDHM C#CCN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001609020774 1098112732 /nfs/dbraw/zinc/11/27/32/1098112732.db2.gz HSELUODPAZYNMB-UHFFFAOYSA-N -1 3 348.366 2.756 20 30 EFEDHM C#CC[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC001609020189 1098113179 /nfs/dbraw/zinc/11/31/79/1098113179.db2.gz UJQSXPKGQYPCRJ-QGZVFWFLSA-N -1 3 331.379 2.670 20 30 EFEDHM C#CC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC001609020189 1098113186 /nfs/dbraw/zinc/11/31/86/1098113186.db2.gz UJQSXPKGQYPCRJ-QGZVFWFLSA-N -1 3 331.379 2.670 20 30 EFEDHM C#CCN(C(=S)Nc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC001609021031 1098113288 /nfs/dbraw/zinc/11/32/88/1098113288.db2.gz ZAKKSVIPYQMDOI-UHFFFAOYSA-N -1 3 340.456 2.831 20 30 EFEDHM C#CCN(C(=S)Nc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC001609021031 1098113290 /nfs/dbraw/zinc/11/32/90/1098113290.db2.gz ZAKKSVIPYQMDOI-UHFFFAOYSA-N -1 3 340.456 2.831 20 30 EFEDHM C#Cc1cc(F)c(NCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001609021932 1098114410 /nfs/dbraw/zinc/11/44/10/1098114410.db2.gz MUDOFYIMHSKFCJ-UHFFFAOYSA-N -1 3 341.321 2.617 20 30 EFEDHM C#Cc1cc(F)c(NCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001609021932 1098114414 /nfs/dbraw/zinc/11/44/14/1098114414.db2.gz MUDOFYIMHSKFCJ-UHFFFAOYSA-N -1 3 341.321 2.617 20 30 EFEDHM C=CC(C)(C)CNC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001609052118 1098121815 /nfs/dbraw/zinc/12/18/15/1098121815.db2.gz MXHAAGJXSXMYBM-HNNXBMFYSA-N -1 3 343.431 2.599 20 30 EFEDHM C=CC(C)(C)CNC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001609052118 1098121819 /nfs/dbraw/zinc/12/18/19/1098121819.db2.gz MXHAAGJXSXMYBM-HNNXBMFYSA-N -1 3 343.431 2.599 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001609052202 1098122095 /nfs/dbraw/zinc/12/20/95/1098122095.db2.gz QVSJRIAJRDCICL-KRWDZBQOSA-N -1 3 330.388 2.781 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001609052202 1098122097 /nfs/dbraw/zinc/12/20/97/1098122097.db2.gz QVSJRIAJRDCICL-KRWDZBQOSA-N -1 3 330.388 2.781 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609052351 1098122889 /nfs/dbraw/zinc/12/28/89/1098122889.db2.gz YUIJSGKJMJKBHV-SJKOYZFVSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609052351 1098122893 /nfs/dbraw/zinc/12/28/93/1098122893.db2.gz YUIJSGKJMJKBHV-SJKOYZFVSA-N -1 3 330.388 2.700 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609054060 1098123115 /nfs/dbraw/zinc/12/31/15/1098123115.db2.gz XYYZBQFJRJGRAT-LLVKDONJSA-N -1 3 334.811 2.674 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609054060 1098123118 /nfs/dbraw/zinc/12/31/18/1098123118.db2.gz XYYZBQFJRJGRAT-LLVKDONJSA-N -1 3 334.811 2.674 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052303 1098123290 /nfs/dbraw/zinc/12/32/90/1098123290.db2.gz XBIIPGAARBQUFA-CRAIPNDOSA-N -1 3 325.416 2.963 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052303 1098123292 /nfs/dbraw/zinc/12/32/92/1098123292.db2.gz XBIIPGAARBQUFA-CRAIPNDOSA-N -1 3 325.416 2.963 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609057178 1098124060 /nfs/dbraw/zinc/12/40/60/1098124060.db2.gz CNVNKZVOQUVZFE-UHFFFAOYSA-N -1 3 339.424 2.686 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609057178 1098124063 /nfs/dbraw/zinc/12/40/63/1098124063.db2.gz CNVNKZVOQUVZFE-UHFFFAOYSA-N -1 3 339.424 2.686 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCCCC1 ZINC001609056803 1098124086 /nfs/dbraw/zinc/12/40/86/1098124086.db2.gz ZDGVRZREQCFJND-UHFFFAOYSA-N -1 3 340.431 2.897 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCCCC1 ZINC001609056803 1098124090 /nfs/dbraw/zinc/12/40/90/1098124090.db2.gz ZDGVRZREQCFJND-UHFFFAOYSA-N -1 3 340.431 2.897 20 30 EFEDHM CC(N=Nc1nncc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001609061196 1098126407 /nfs/dbraw/zinc/12/64/07/1098126407.db2.gz KPHDFSOTBSLGBO-UHFFFAOYSA-N -1 3 330.355 2.646 20 30 EFEDHM CC(N=Nc1nncc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001609061196 1098126412 /nfs/dbraw/zinc/12/64/12/1098126412.db2.gz KPHDFSOTBSLGBO-UHFFFAOYSA-N -1 3 330.355 2.646 20 30 EFEDHM C=CCOc1cccc(NC(=O)c2cscc2-c2nnn[n-]2)c1 ZINC001609059062 1098126467 /nfs/dbraw/zinc/12/64/67/1098126467.db2.gz NIVSQFPCNRHTLY-UHFFFAOYSA-N -1 3 327.369 2.745 20 30 EFEDHM C=CCOc1cccc(NC(=O)c2cscc2-c2nn[n-]n2)c1 ZINC001609059062 1098126469 /nfs/dbraw/zinc/12/64/69/1098126469.db2.gz NIVSQFPCNRHTLY-UHFFFAOYSA-N -1 3 327.369 2.745 20 30 EFEDHM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cccc(-c2nnn[n-]2)c1 ZINC001609061193 1098126661 /nfs/dbraw/zinc/12/66/61/1098126661.db2.gz KKGQFGWQTVOHIJ-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cccc(-c2nn[n-]n2)c1 ZINC001609061193 1098126662 /nfs/dbraw/zinc/12/66/62/1098126662.db2.gz KKGQFGWQTVOHIJ-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM C=CCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001609058786 1098126714 /nfs/dbraw/zinc/12/67/14/1098126714.db2.gz ULDZNUVLJHSKIQ-UHFFFAOYSA-N -1 3 337.408 2.934 20 30 EFEDHM C=CCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001609058786 1098126716 /nfs/dbraw/zinc/12/67/16/1098126716.db2.gz ULDZNUVLJHSKIQ-UHFFFAOYSA-N -1 3 337.408 2.934 20 30 EFEDHM CC(C)Oc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001609102565 1098145078 /nfs/dbraw/zinc/14/50/78/1098145078.db2.gz FWDFYZMBCARUQQ-UHFFFAOYSA-N -1 3 335.371 2.533 20 30 EFEDHM CC(C)Oc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001609102565 1098145082 /nfs/dbraw/zinc/14/50/82/1098145082.db2.gz FWDFYZMBCARUQQ-UHFFFAOYSA-N -1 3 335.371 2.533 20 30 EFEDHM CC(C)n1nccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001609107825 1098148120 /nfs/dbraw/zinc/14/81/20/1098148120.db2.gz MEKWFPYFSLGBFP-XQRVVYSFSA-N -1 3 326.335 2.679 20 30 EFEDHM CC(C)n1nccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001609107825 1098148126 /nfs/dbraw/zinc/14/81/26/1098148126.db2.gz MEKWFPYFSLGBFP-XQRVVYSFSA-N -1 3 326.335 2.679 20 30 EFEDHM C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001609126023 1098158586 /nfs/dbraw/zinc/15/85/86/1098158586.db2.gz AVPURUGVFYYJJE-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001609126023 1098158588 /nfs/dbraw/zinc/15/85/88/1098158588.db2.gz AVPURUGVFYYJJE-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](ON=CC(=O)Nc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609134168 1098161006 /nfs/dbraw/zinc/16/10/06/1098161006.db2.gz ZTTNYJPKBIHASF-GFCCVEGCSA-N -1 3 336.355 2.569 20 30 EFEDHM C[C@@H](ON=CC(=O)Nc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609134168 1098161013 /nfs/dbraw/zinc/16/10/13/1098161013.db2.gz ZTTNYJPKBIHASF-GFCCVEGCSA-N -1 3 336.355 2.569 20 30 EFEDHM C[C@@H](OC(=O)c1ccccc1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001609132644 1098161682 /nfs/dbraw/zinc/16/16/82/1098161682.db2.gz COXBHGPNKZHHMM-GFCCVEGCSA-N -1 3 333.351 2.851 20 30 EFEDHM C[C@@H](OC(=O)c1ccccc1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001609132644 1098161684 /nfs/dbraw/zinc/16/16/84/1098161684.db2.gz COXBHGPNKZHHMM-GFCCVEGCSA-N -1 3 333.351 2.851 20 30 EFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001609138721 1098165131 /nfs/dbraw/zinc/16/51/31/1098165131.db2.gz YUWKLNSKTREJDQ-QMMMGPOBSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001609138721 1098165132 /nfs/dbraw/zinc/16/51/32/1098165132.db2.gz YUWKLNSKTREJDQ-QMMMGPOBSA-N -1 3 341.375 2.708 20 30 EFEDHM CCOc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1O ZINC001609242793 1098217417 /nfs/dbraw/zinc/21/74/17/1098217417.db2.gz ILVRRLKBPJLDMU-AUWJEWJLSA-N -1 3 348.362 2.793 20 30 EFEDHM CCOc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1O ZINC001609242793 1098217424 /nfs/dbraw/zinc/21/74/24/1098217424.db2.gz ILVRRLKBPJLDMU-AUWJEWJLSA-N -1 3 348.362 2.793 20 30 EFEDHM CCOc1ccccc1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609246549 1098222375 /nfs/dbraw/zinc/22/23/75/1098222375.db2.gz MNWUIZYOXZJYHY-UHFFFAOYSA-N -1 3 334.383 2.792 20 30 EFEDHM CCOc1ccccc1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609246549 1098222379 /nfs/dbraw/zinc/22/23/79/1098222379.db2.gz MNWUIZYOXZJYHY-UHFFFAOYSA-N -1 3 334.383 2.792 20 30 EFEDHM CCc1nc2ccccc2n1N=Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001609254853 1098226369 /nfs/dbraw/zinc/22/63/69/1098226369.db2.gz GYCCVLLEPJYQOB-UHFFFAOYSA-N -1 3 347.382 2.670 20 30 EFEDHM CCc1nc2ccccc2n1N=Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001609254853 1098226372 /nfs/dbraw/zinc/22/63/72/1098226372.db2.gz GYCCVLLEPJYQOB-UHFFFAOYSA-N -1 3 347.382 2.670 20 30 EFEDHM C=C[C@@H](NCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC001609272587 1098233432 /nfs/dbraw/zinc/23/34/32/1098233432.db2.gz ULDBAWNJFKKGKS-SECBINFHSA-N -1 3 336.132 2.779 20 30 EFEDHM C=CCC[C@H](C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1 ZINC001609324630 1098247889 /nfs/dbraw/zinc/24/78/89/1098247889.db2.gz HXBIVMIAEWYEKS-KRWDZBQOSA-N -1 3 344.455 2.744 20 30 EFEDHM C=CCC[C@@H](C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)c1ccccc1 ZINC001609324631 1098248567 /nfs/dbraw/zinc/24/85/67/1098248567.db2.gz HXBIVMIAEWYEKS-QGZVFWFLSA-N -1 3 344.455 2.744 20 30 EFEDHM COCc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001609330850 1098250051 /nfs/dbraw/zinc/25/00/51/1098250051.db2.gz TVXXWLAQOLDAFI-NVNXTCNLSA-N -1 3 347.378 2.621 20 30 EFEDHM COCc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001609330850 1098250056 /nfs/dbraw/zinc/25/00/56/1098250056.db2.gz TVXXWLAQOLDAFI-NVNXTCNLSA-N -1 3 347.378 2.621 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(N(C)C)cc2)ccc1-c1nnn[n-]1 ZINC001609341572 1098254780 /nfs/dbraw/zinc/25/47/80/1098254780.db2.gz YIKDXPRZTTXSJR-VZUCSPMQSA-N -1 3 349.394 2.837 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(N(C)C)cc2)ccc1-c1nn[n-]n1 ZINC001609341572 1098254784 /nfs/dbraw/zinc/25/47/84/1098254784.db2.gz YIKDXPRZTTXSJR-VZUCSPMQSA-N -1 3 349.394 2.837 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(N(C)C)cc2)ccc1-c1nnn[n-]1 ZINC001609341573 1098254950 /nfs/dbraw/zinc/25/49/50/1098254950.db2.gz YIKDXPRZTTXSJR-WZUFQYTHSA-N -1 3 349.394 2.837 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(N(C)C)cc2)ccc1-c1nn[n-]n1 ZINC001609341573 1098254955 /nfs/dbraw/zinc/25/49/55/1098254955.db2.gz YIKDXPRZTTXSJR-WZUFQYTHSA-N -1 3 349.394 2.837 20 30 EFEDHM COc1cc(C=NNc2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC001609341423 1098255032 /nfs/dbraw/zinc/25/50/32/1098255032.db2.gz PKKIZNUPHHHVKL-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM COc1cc(C=NNc2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC001609341423 1098255036 /nfs/dbraw/zinc/25/50/36/1098255036.db2.gz PKKIZNUPHHHVKL-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1F ZINC001609340400 1098255657 /nfs/dbraw/zinc/25/56/57/1098255657.db2.gz GYIPIQKULUHWND-MLPAPPSSSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1F ZINC001609340400 1098255662 /nfs/dbraw/zinc/25/56/62/1098255662.db2.gz GYIPIQKULUHWND-MLPAPPSSSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1ccccc1-c1nnn[n-]1 ZINC001609346073 1098258848 /nfs/dbraw/zinc/25/88/48/1098258848.db2.gz BFCDZQORVOJKFL-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1ccccc1-c1nn[n-]n1 ZINC001609346073 1098258852 /nfs/dbraw/zinc/25/88/52/1098258852.db2.gz BFCDZQORVOJKFL-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1cc(F)cc(NN=Cc2ccc(-c3nnn[n-]3)c(C)c2)c1 ZINC001609346261 1098259079 /nfs/dbraw/zinc/25/90/79/1098259079.db2.gz MLAKAYORQSYBRN-UHFFFAOYSA-N -1 3 326.335 2.769 20 30 EFEDHM COc1cc(F)cc(NN=Cc2ccc(-c3nn[n-]n3)c(C)c2)c1 ZINC001609346261 1098259083 /nfs/dbraw/zinc/25/90/83/1098259083.db2.gz MLAKAYORQSYBRN-UHFFFAOYSA-N -1 3 326.335 2.769 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC001609348851 1098260626 /nfs/dbraw/zinc/26/06/26/1098260626.db2.gz NSVVPQJQIBXYRI-AWNIVKPZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC001609348851 1098260632 /nfs/dbraw/zinc/26/06/32/1098260632.db2.gz NSVVPQJQIBXYRI-AWNIVKPZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC001609348852 1098260682 /nfs/dbraw/zinc/26/06/82/1098260682.db2.gz NSVVPQJQIBXYRI-MLPAPPSSSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC001609348852 1098260686 /nfs/dbraw/zinc/26/06/86/1098260686.db2.gz NSVVPQJQIBXYRI-MLPAPPSSSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)c(C)c1)C2=O ZINC001609363124 1098267288 /nfs/dbraw/zinc/26/72/88/1098267288.db2.gz QLMMZDQVMXRPMY-LCYFTJDESA-N -1 3 348.362 2.842 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)c(C)c1)C2=O ZINC001609363124 1098267289 /nfs/dbraw/zinc/26/72/89/1098267289.db2.gz QLMMZDQVMXRPMY-LCYFTJDESA-N -1 3 348.362 2.842 20 30 EFEDHM COc1cccc2c1CCC(=NNCc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001609362881 1098268469 /nfs/dbraw/zinc/26/84/69/1098268469.db2.gz JMIFILIXWLUHKO-UHFFFAOYSA-N -1 3 348.410 2.510 20 30 EFEDHM COc1cccc2c1CCC(=NNCc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001609362881 1098268472 /nfs/dbraw/zinc/26/84/72/1098268472.db2.gz JMIFILIXWLUHKO-UHFFFAOYSA-N -1 3 348.410 2.510 20 30 EFEDHM Cc1cc(CN=Nc2cccc(F)c2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001609399856 1098289738 /nfs/dbraw/zinc/28/97/38/1098289738.db2.gz RDQQGPBNDMKXRD-UHFFFAOYSA-N -1 3 341.306 2.668 20 30 EFEDHM Cc1cc(CN=Nc2cccc(F)c2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001609399856 1098289744 /nfs/dbraw/zinc/28/97/44/1098289744.db2.gz RDQQGPBNDMKXRD-UHFFFAOYSA-N -1 3 341.306 2.668 20 30 EFEDHM Cc1cc(C=NNc2cccc([N+](=O)[O-])c2C)ccc1-c1nnn[n-]1 ZINC001609399766 1098290490 /nfs/dbraw/zinc/29/04/90/1098290490.db2.gz NQGIBRIKZQMHKY-UHFFFAOYSA-N -1 3 337.343 2.838 20 30 EFEDHM Cc1cc(C=NNc2cccc([N+](=O)[O-])c2C)ccc1-c1nn[n-]n1 ZINC001609399766 1098290493 /nfs/dbraw/zinc/29/04/93/1098290493.db2.gz NQGIBRIKZQMHKY-UHFFFAOYSA-N -1 3 337.343 2.838 20 30 EFEDHM Cc1ccc(O[C@@H](C)CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001609426989 1098313899 /nfs/dbraw/zinc/31/38/99/1098313899.db2.gz DCHDTBGIXYHULZ-ZDUSSCGKSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1ccc(O[C@@H](C)CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001609426989 1098313906 /nfs/dbraw/zinc/31/39/06/1098313906.db2.gz DCHDTBGIXYHULZ-ZDUSSCGKSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(NCc3ccc(C#N)cc3)c2c1 ZINC001609429532 1098314687 /nfs/dbraw/zinc/31/46/87/1098314687.db2.gz NGVDAKASKQPSAR-UHFFFAOYSA-N -1 3 341.378 2.629 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(NCc3ccc(C#N)cc3)c2c1 ZINC001609429532 1098314692 /nfs/dbraw/zinc/31/46/92/1098314692.db2.gz NGVDAKASKQPSAR-UHFFFAOYSA-N -1 3 341.378 2.629 20 30 EFEDHM Cc1cccc(OC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC001609433331 1098318154 /nfs/dbraw/zinc/31/81/54/1098318154.db2.gz XJRKDCNRZGMCAB-MRXNPFEDSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1cccc(OC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001609433331 1098318161 /nfs/dbraw/zinc/31/81/61/1098318161.db2.gz XJRKDCNRZGMCAB-MRXNPFEDSA-N -1 3 347.378 2.771 20 30 EFEDHM C=CCOC[C@H](NCc1cc(Br)ccc1Cl)C(=O)[O-] ZINC001609452242 1098332040 /nfs/dbraw/zinc/33/20/40/1098332040.db2.gz BBVPNPXOKOCTSY-LBPRGKRZSA-N -1 3 348.624 2.848 20 30 EFEDHM Clc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc2c1OCO2 ZINC001609472764 1098344519 /nfs/dbraw/zinc/34/45/19/1098344519.db2.gz MZYBKQURPVYLHU-UHFFFAOYSA-N -1 3 342.746 2.695 20 30 EFEDHM Fc1cc(F)cc(NN=C2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC001609489560 1098355450 /nfs/dbraw/zinc/35/54/50/1098355450.db2.gz OKIIXQOZTOHWLJ-UHFFFAOYSA-N -1 3 326.310 2.907 20 30 EFEDHM Fc1cc(F)cc(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC001609489560 1098355454 /nfs/dbraw/zinc/35/54/54/1098355454.db2.gz OKIIXQOZTOHWLJ-UHFFFAOYSA-N -1 3 326.310 2.907 20 30 EFEDHM Fc1cccc(F)c1N=NC1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609491905 1098359815 /nfs/dbraw/zinc/35/98/15/1098359815.db2.gz PCWHXMVTLZPYFD-UHFFFAOYSA-N -1 3 326.310 2.907 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001609499117 1098361927 /nfs/dbraw/zinc/36/19/27/1098361927.db2.gz QHAUVKNNDIMALN-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001609499117 1098361931 /nfs/dbraw/zinc/36/19/31/1098361931.db2.gz QHAUVKNNDIMALN-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccoc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC001609499004 1098362364 /nfs/dbraw/zinc/36/23/64/1098362364.db2.gz GIXTYPZVSNEELE-UHFFFAOYSA-N -1 3 348.244 2.602 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccoc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC001609499004 1098362370 /nfs/dbraw/zinc/36/23/70/1098362370.db2.gz GIXTYPZVSNEELE-UHFFFAOYSA-N -1 3 348.244 2.602 20 30 EFEDHM N#Cc1ccc(OCCN2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001609499253 1098362802 /nfs/dbraw/zinc/36/28/02/1098362802.db2.gz DHIQZWJEFOUKRH-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1c(NCc2ccoc2)nc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC001609496911 1098362899 /nfs/dbraw/zinc/36/28/99/1098362899.db2.gz NCUMWCQEGDGQCC-UHFFFAOYSA-N -1 3 349.398 2.997 20 30 EFEDHM N#Cc1c(NCc2ccoc2)nc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC001609496911 1098362905 /nfs/dbraw/zinc/36/29/05/1098362905.db2.gz NCUMWCQEGDGQCC-UHFFFAOYSA-N -1 3 349.398 2.997 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc([C@@H]2CCOC2)cc1 ZINC001609499911 1098363147 /nfs/dbraw/zinc/36/31/47/1098363147.db2.gz OZMGHRWBTUKALJ-CQSZACIVSA-N -1 3 332.367 2.986 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc([C@@H]2CCOC2)cc1 ZINC001609499911 1098363155 /nfs/dbraw/zinc/36/31/55/1098363155.db2.gz OZMGHRWBTUKALJ-CQSZACIVSA-N -1 3 332.367 2.986 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccccc1-n1ccnc1 ZINC001609499751 1098364032 /nfs/dbraw/zinc/36/40/32/1098364032.db2.gz IBCXZGLALACOPR-UHFFFAOYSA-N -1 3 342.366 2.536 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccccc1-n1ccnc1 ZINC001609499751 1098364039 /nfs/dbraw/zinc/36/40/39/1098364039.db2.gz IBCXZGLALACOPR-UHFFFAOYSA-N -1 3 342.366 2.536 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cn2ccccc2n1 ZINC001609517944 1098365897 /nfs/dbraw/zinc/36/58/97/1098365897.db2.gz WLKDIMXKPBTRRI-VOTSOKGWSA-N -1 3 334.314 2.550 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cn2ccccc2n1 ZINC001609517944 1098365902 /nfs/dbraw/zinc/36/59/02/1098365902.db2.gz WLKDIMXKPBTRRI-VOTSOKGWSA-N -1 3 334.314 2.550 20 30 EFEDHM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc([O-])ccc1Cl ZINC001269982894 1098567081 /nfs/dbraw/zinc/56/70/81/1098567081.db2.gz IXNUQSXOBUFVQA-SFHVURJKSA-N -1 3 348.830 2.829 20 30 EFEDHM COC1(C(F)(F)F)CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001610232154 1098583436 /nfs/dbraw/zinc/58/34/36/1098583436.db2.gz QQXKBPRNZUVIOD-ZDUSSCGKSA-N -1 3 342.317 2.727 20 30 EFEDHM COc1ccc(CN[C@](C)(C(=O)[O-])c2ccc(F)cc2)cc1C#N ZINC001610335772 1098625991 /nfs/dbraw/zinc/62/59/91/1098625991.db2.gz KWXVWUORNXCASJ-SFHVURJKSA-N -1 3 328.343 2.796 20 30 EFEDHM Cc1cc([C@H](NCc2cnc3ccc(C#N)cn23)C(=O)[O-])ccc1F ZINC001610451402 1098685153 /nfs/dbraw/zinc/68/51/53/1098685153.db2.gz SGZQZHADKHSSHL-KRWDZBQOSA-N -1 3 338.342 2.569 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2nccnc21 ZINC001624713263 1099722071 /nfs/dbraw/zinc/72/20/71/1099722071.db2.gz HQHALHOFTQZGJL-UHFFFAOYSA-N -1 3 347.378 2.790 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(Cl)cc1F ZINC000783514097 1100634226 /nfs/dbraw/zinc/63/42/26/1100634226.db2.gz YJLNYZUZPPMFSO-UHFFFAOYSA-N -1 3 326.780 2.933 20 30 EFEDHM N#CC[C@@H](CC(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccccc1 ZINC001638553689 1100867595 /nfs/dbraw/zinc/86/75/95/1100867595.db2.gz AZLCDXLAQFOABM-INIZCTEOSA-N -1 3 346.394 2.817 20 30 EFEDHM N#CC[C@@H](CC(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccccc1 ZINC001638553689 1100867605 /nfs/dbraw/zinc/86/76/05/1100867605.db2.gz AZLCDXLAQFOABM-INIZCTEOSA-N -1 3 346.394 2.817 20 30 EFEDHM N#CC[C@H](CC(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccccc1 ZINC001638553690 1100867755 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N#CCNCC1([C@H]2CCCCN2C(=O)c2ccccc2[O-])CCC1 ZINC001105508764 1105849213 /nfs/dbraw/zinc/84/92/13/1105849213.db2.gz JWUPXWCXJSJAGV-QGZVFWFLSA-N -1 3 327.428 2.670 20 30 EFEDHM CC#CCCCC(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060156635 1106972038 /nfs/dbraw/zinc/97/20/38/1106972038.db2.gz JSRIUQZQQZQUNF-INIZCTEOSA-N -1 3 342.439 2.554 20 30 EFEDHM O=C(C[C@@H]1CCC(=O)NC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904179944 1107675187 /nfs/dbraw/zinc/67/51/87/1107675187.db2.gz DPQDNSYEHVEJBG-VIFPVBQESA-N -1 3 331.199 2.628 20 30 EFEDHM NC(=O)[C@@H]1CCC[C@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904170702 1107687719 /nfs/dbraw/zinc/68/77/19/1107687719.db2.gz FRGJZMDGKDRSDK-CABCVRRESA-N -1 3 326.396 2.849 20 30 EFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174584 1107691273 /nfs/dbraw/zinc/69/12/73/1107691273.db2.gz FUTJOYIWTHHHBQ-UHFFFAOYSA-N -1 3 344.390 2.903 20 30 EFEDHM O=C(Cc1ccccc1O[C@H]1CCOC1)N([O-])Cc1ccc(F)cc1 ZINC000904178091 1107695859 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N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000297097514 268330581 /nfs/dbraw/zinc/33/05/81/268330581.db2.gz OIYZWRNKYJIELW-CQSZACIVSA-N -1 3 349.362 2.587 20 30 EFEDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000330629009 269631767 /nfs/dbraw/zinc/63/17/67/269631767.db2.gz MJOSTZWWQWPVLM-RISCZKNCSA-N -1 3 342.848 2.694 20 30 EFEDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)OC ZINC000451681340 287650226 /nfs/dbraw/zinc/65/02/26/287650226.db2.gz OHUAUHHYPKKKHF-GXFFZTMASA-N -1 3 330.837 2.551 20 30 EFEDHM C[C@H]1CCCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428371233 278355214 /nfs/dbraw/zinc/35/52/14/278355214.db2.gz DHWIPVZKNYNPBR-SCLBCKFNSA-N -1 3 341.436 2.945 20 30 EFEDHM O=C1Nc2cc3c(cc2C1=N[N-]c1ncccc1Cl)OCCCO3 ZINC000054884255 280303200 /nfs/dbraw/zinc/30/32/00/280303200.db2.gz KJMBMSPNZUWAPX-UHFFFAOYSA-N -1 3 344.758 2.665 20 30 EFEDHM CCc1csc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000355108007 281483022 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342.395 2.562 20 30 EFEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)CO2 ZINC000152589232 293340867 /nfs/dbraw/zinc/34/08/67/293340867.db2.gz CXDDWOKAAMNALP-OAHLLOKOSA-N -1 3 328.393 2.587 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1cccc(F)c1 ZINC000156234609 293502275 /nfs/dbraw/zinc/50/22/75/293502275.db2.gz GZMRTFCXJFYRRJ-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000156553893 293514822 /nfs/dbraw/zinc/51/48/22/293514822.db2.gz DZVFBHZLIZDREH-UHFFFAOYSA-N -1 3 331.784 2.562 20 30 EFEDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000416607082 294090707 /nfs/dbraw/zinc/09/07/07/294090707.db2.gz YIRZZDUWBNZGSX-BMIGLBTASA-N -1 3 342.848 2.694 20 30 EFEDHM C[C@H]1CC[C@H](NC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)CC1 ZINC000329429036 300809199 /nfs/dbraw/zinc/80/91/99/300809199.db2.gz JRPOHUHDNZWFEI-NEULZYRMSA-N -1 3 336.436 2.976 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccccc1F ZINC000161909615 310713821 /nfs/dbraw/zinc/71/38/21/310713821.db2.gz BPNWASVNRFYZRE-UHFFFAOYSA-N -1 3 327.359 2.598 20 30 EFEDHM CCc1oc2ccccc2c1/C=C\C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000493025470 314215345 /nfs/dbraw/zinc/21/53/45/314215345.db2.gz PCGOPEQOVILTIR-CFYYFVFUSA-N -1 3 328.368 2.505 20 30 EFEDHM O=C(/C=C\c1ccc(SC(F)F)cc1)N[C@H]1CCCN([O-])C1=O ZINC000493188576 314270013 /nfs/dbraw/zinc/27/00/13/314270013.db2.gz KTVVPAJWIMCFLH-JECSTDCCSA-N -1 3 342.367 2.511 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCCS1 ZINC000542201769 317805929 /nfs/dbraw/zinc/80/59/29/317805929.db2.gz TZONHOPKQPPMLD-ZDUSSCGKSA-N -1 3 333.457 2.610 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)c1 ZINC000548123308 318075729 /nfs/dbraw/zinc/07/57/29/318075729.db2.gz ISMLHKCYPJHNLC-UHFFFAOYSA-N -1 3 348.811 2.625 20 30 EFEDHM N#Cc1ccc(N2CCN(Cc3ncccc3[O-])CC2)c(Cl)c1 ZINC000554866104 318338468 /nfs/dbraw/zinc/33/84/68/318338468.db2.gz BADXYJLKOFYLPR-UHFFFAOYSA-N -1 3 328.803 2.634 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000566715063 319103472 /nfs/dbraw/zinc/10/34/72/319103472.db2.gz UIPOXQBJLUKYAU-UHFFFAOYSA-N -1 3 342.207 2.739 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccccc2F)c(F)c1 ZINC000569660078 319400480 /nfs/dbraw/zinc/40/04/80/319400480.db2.gz CGBIINPMIVUOMH-UHFFFAOYSA-N -1 3 336.363 2.748 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC000578569360 320217231 /nfs/dbraw/zinc/21/72/31/320217231.db2.gz CENIHPJJHONFNJ-GOEBONIOSA-N -1 3 330.384 2.607 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C2CC2)nn1 ZINC000522539963 449083272 /nfs/dbraw/zinc/08/32/72/449083272.db2.gz PWARPYBIKCIBDM-UHFFFAOYSA-N -1 3 337.383 2.514 20 30 EFEDHM N#CCC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000124425806 473244478 /nfs/dbraw/zinc/24/44/78/473244478.db2.gz YGXRKCIDVVRKSO-AWEZNQCLSA-N -1 3 345.380 2.918 20 30 EFEDHM N#CCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000124425637 473244489 /nfs/dbraw/zinc/24/44/89/473244489.db2.gz YGXRKCIDVVRKSO-CQSZACIVSA-N -1 3 345.380 2.918 20 30 EFEDHM CO[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)(C)C ZINC000185005693 473297835 /nfs/dbraw/zinc/29/78/35/473297835.db2.gz NVMHABRKVJAXIX-CYBMUJFWSA-N -1 3 330.837 2.551 20 30 EFEDHM N#Cc1cc(N2CC[C@H](c3cc(=O)[n-]c(N)n3)C2)ccc1C(F)(F)F ZINC000600878717 468674839 /nfs/dbraw/zinc/67/48/39/468674839.db2.gz FLWUSQKNLVPYBB-VIFPVBQESA-N -1 3 349.316 2.649 20 30 EFEDHM N#C[C@]1([N-]S(=O)(=O)c2ccc(F)cc2F)CCc2ccccc2C1 ZINC000185150954 473345500 /nfs/dbraw/zinc/34/55/00/473345500.db2.gz VWYZGYJVDBHIJT-KRWDZBQOSA-N -1 3 348.374 2.694 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000190670323 473355745 /nfs/dbraw/zinc/35/57/45/473355745.db2.gz SLPHQMVEZSFFTF-NWDGAFQWSA-N -1 3 347.864 2.997 20 30 EFEDHM COc1cc(C(=O)NCc2ccc(C#N)c(Cl)c2)cc(OC)c1[O-] ZINC000619780654 479883217 /nfs/dbraw/zinc/88/32/17/479883217.db2.gz ZGCRRPWJUIYFJN-UHFFFAOYSA-N -1 3 346.770 2.864 20 30 EFEDHM CO[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)CC(C)C ZINC000416639436 477247132 /nfs/dbraw/zinc/24/71/32/477247132.db2.gz ARLOMAAYVJOGFW-NSHDSACASA-N -1 3 330.837 2.551 20 30 EFEDHM Cc1cccc([O-])c1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000599749606 479414037 /nfs/dbraw/zinc/41/40/37/479414037.db2.gz KLLMMESQHOBIPG-UHFFFAOYSA-N -1 3 349.434 2.989 20 30 EFEDHM Cc1ccc([O-])c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000017843090 471965268 /nfs/dbraw/zinc/96/52/68/471965268.db2.gz KRGTVOKBGBYKTC-UHFFFAOYSA-N -1 3 335.407 2.530 20 30 EFEDHM Cc1cc(C(=O)[N-]c2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)on1 ZINC000022302143 472012837 /nfs/dbraw/zinc/01/28/37/472012837.db2.gz ZHWXGWXFDTYNEY-PHIMTYICSA-N -1 3 336.417 2.685 20 30 EFEDHM Cc1cc(C)nc(SCC(=O)Nc2nnc(-c3ccccn3)[n-]2)n1 ZINC000053526096 472016462 /nfs/dbraw/zinc/01/64/62/472016462.db2.gz ZBXXZRAREKZDEG-UHFFFAOYSA-N -1 3 341.400 2.654 20 30 EFEDHM Cc1cc(C)nc(SCC(=O)Nc2nc(-c3ccccn3)n[n-]2)n1 ZINC000053526096 472016467 /nfs/dbraw/zinc/01/64/67/472016467.db2.gz ZBXXZRAREKZDEG-UHFFFAOYSA-N -1 3 341.400 2.654 20 30 EFEDHM Cc1cc(C)nc(SCC(=O)Nc2n[n-]c(-c3ccccn3)n2)n1 ZINC000053526096 472016470 /nfs/dbraw/zinc/01/64/70/472016470.db2.gz ZBXXZRAREKZDEG-UHFFFAOYSA-N -1 3 341.400 2.654 20 30 EFEDHM COc1cccc(COCC(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000053527623 472016883 /nfs/dbraw/zinc/01/68/83/472016883.db2.gz WMHFHFXPKLDSID-UHFFFAOYSA-N -1 3 339.355 2.680 20 30 EFEDHM COc1cccc(COCC(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000053527623 472016886 /nfs/dbraw/zinc/01/68/86/472016886.db2.gz WMHFHFXPKLDSID-UHFFFAOYSA-N -1 3 339.355 2.680 20 30 EFEDHM COc1cccc(COCC(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000053527623 472016890 /nfs/dbraw/zinc/01/68/90/472016890.db2.gz WMHFHFXPKLDSID-UHFFFAOYSA-N -1 3 339.355 2.680 20 30 EFEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000054727771 472111822 /nfs/dbraw/zinc/11/18/22/472111822.db2.gz FARFZGAJTANJBB-AWEZNQCLSA-N -1 3 339.399 2.677 20 30 EFEDHM C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000068220005 472152255 /nfs/dbraw/zinc/15/22/55/472152255.db2.gz FNIFBOSYAIQIPY-NSHDSACASA-N -1 3 342.403 2.540 20 30 EFEDHM C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000068220005 472152262 /nfs/dbraw/zinc/15/22/62/472152262.db2.gz FNIFBOSYAIQIPY-NSHDSACASA-N -1 3 342.403 2.540 20 30 EFEDHM C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000068220005 472152264 /nfs/dbraw/zinc/15/22/64/472152264.db2.gz FNIFBOSYAIQIPY-NSHDSACASA-N -1 3 342.403 2.540 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000055480871 472191545 /nfs/dbraw/zinc/19/15/45/472191545.db2.gz BMAVVHRQSKDEBC-WFASDCNBSA-N -1 3 329.444 2.739 20 30 EFEDHM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000055643662 472217268 /nfs/dbraw/zinc/21/72/68/472217268.db2.gz GCOSJRPVVYFQBE-UHFFFAOYSA-N -1 3 346.408 2.693 20 30 EFEDHM CCc1c(C)sc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)c1C#N ZINC000068677881 472227577 /nfs/dbraw/zinc/22/75/77/472227577.db2.gz QEELCIZZRQWBTH-UHFFFAOYSA-N -1 3 340.412 2.797 20 30 EFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000028782299 472236775 /nfs/dbraw/zinc/23/67/75/472236775.db2.gz QFEPSPACXJTYLV-UHFFFAOYSA-N -1 3 336.756 2.741 20 30 EFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000029202693 472258747 /nfs/dbraw/zinc/25/87/47/472258747.db2.gz IDSVSSFNOBAHEC-UHFFFAOYSA-N -1 3 336.355 2.518 20 30 EFEDHM COc1ccccc1-c1nc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)n[n-]1 ZINC000069128776 472295598 /nfs/dbraw/zinc/29/55/98/472295598.db2.gz JTQLAQBIOSLOBL-NEPJUHHUSA-N -1 3 346.387 2.652 20 30 EFEDHM C=CCN(C)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000154149196 472395035 /nfs/dbraw/zinc/39/50/35/472395035.db2.gz CJALTIMOOMMRCY-GOSISDBHSA-N -1 3 338.407 2.898 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](C)N2CCc3sccc3C2)c1[O-] ZINC000031854464 472399815 /nfs/dbraw/zinc/39/98/15/472399815.db2.gz BRWODEHIBXSOAX-DKSCHZSNSA-N -1 3 345.468 2.515 20 30 EFEDHM C=CCN(C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000154187708 472399916 /nfs/dbraw/zinc/39/99/16/472399916.db2.gz NDKGEQLZLGSPEK-UHFFFAOYSA-N -1 3 345.424 2.596 20 30 EFEDHM COCCCOc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000076822604 472410172 /nfs/dbraw/zinc/41/01/72/472410172.db2.gz JMYGENSBZZTDFQ-KRWDZBQOSA-N -1 3 339.395 2.999 20 30 EFEDHM CSc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c2ccccn12 ZINC000076822452 472410504 /nfs/dbraw/zinc/41/05/04/472410504.db2.gz CJGCEYVUWRGTEZ-GFCCVEGCSA-N -1 3 337.408 2.953 20 30 EFEDHM C=CCCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000076921298 472424432 /nfs/dbraw/zinc/42/44/32/472424432.db2.gz AZFUPAHVDCIGMO-UHFFFAOYSA-N -1 3 328.409 2.807 20 30 EFEDHM C=CC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000116859431 472444487 /nfs/dbraw/zinc/44/44/87/472444487.db2.gz FIPHZXYJEZLKLK-NSHDSACASA-N -1 3 342.436 2.597 20 30 EFEDHM CC[C@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000117157962 472457129 /nfs/dbraw/zinc/45/71/29/472457129.db2.gz BHMXJHWFYFJSPT-HNNXBMFYSA-N -1 3 329.444 2.835 20 30 EFEDHM N#Cc1cc(Cl)ccc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000089589432 472462281 /nfs/dbraw/zinc/46/22/81/472462281.db2.gz CKBBWMGPGATDKI-UHFFFAOYSA-N -1 3 341.798 2.880 20 30 EFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117733427 472476043 /nfs/dbraw/zinc/47/60/43/472476043.db2.gz OKXVRHAERFJPGK-AWEZNQCLSA-N -1 3 347.378 2.604 20 30 EFEDHM CCc1cc(C#N)c([N-]C(=O)c2cn(CC(=O)C(C)(C)C)nn2)s1 ZINC000154886668 472483512 /nfs/dbraw/zinc/48/35/12/472483512.db2.gz MIDWGRDRZZFZJO-UHFFFAOYSA-N -1 3 345.428 2.641 20 30 EFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000119206590 472536335 /nfs/dbraw/zinc/53/63/35/472536335.db2.gz MRPMFTGRCQGWAS-UHFFFAOYSA-N -1 3 338.212 2.634 20 30 EFEDHM CS(=O)(=O)N[C@@H]1CCC[C@H]1C/N=C/c1c([O-])ccc2ccccc21 ZINC000129381807 472539895 /nfs/dbraw/zinc/53/98/95/472539895.db2.gz OMIAMJDCAVHZSX-CVAGBXBRSA-N -1 3 346.452 2.682 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000119692641 472575758 /nfs/dbraw/zinc/57/57/58/472575758.db2.gz XYCWNJOXYURBLW-KRWDZBQOSA-N -1 3 344.436 2.862 20 30 EFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@@H](C)C1 ZINC000130461846 472608207 /nfs/dbraw/zinc/60/82/07/472608207.db2.gz BEMPLHCPVUHFJD-ABAIWWIYSA-N -1 3 337.401 2.654 20 30 EFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000120000589 472614789 /nfs/dbraw/zinc/61/47/89/472614789.db2.gz JNDHCSAYYOGFSY-UHFFFAOYSA-N -1 3 341.845 2.664 20 30 EFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000120104197 472632554 /nfs/dbraw/zinc/63/25/54/472632554.db2.gz MWUOOBVZKFWWTH-UHFFFAOYSA-N -1 3 336.457 2.877 20 30 EFEDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H]1C ZINC000156083010 472663724 /nfs/dbraw/zinc/66/37/24/472663724.db2.gz RTXINNKEBLHSBE-WZRBSPASSA-N -1 3 337.401 2.569 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000156218151 472677893 /nfs/dbraw/zinc/67/78/93/472677893.db2.gz PDDRXHKNOUZRDC-UHFFFAOYSA-N -1 3 336.413 2.768 20 30 EFEDHM CCCOc1ccc(/C=N/[C@H](C)C(=O)NCc2ccco2)c([O-])c1 ZINC000120388386 472679430 /nfs/dbraw/zinc/67/94/30/472679430.db2.gz ITBRXJJVVMRBNL-OTGIAGGSSA-N -1 3 330.384 2.898 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000156236227 472680001 /nfs/dbraw/zinc/68/00/01/472680001.db2.gz XCFUMWZULSQARQ-UHFFFAOYSA-N -1 3 340.420 2.715 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000078268347 472684136 /nfs/dbraw/zinc/68/41/36/472684136.db2.gz GRSRFRZAWUOUJP-DOMZBBRYSA-N -1 3 329.444 2.833 20 30 EFEDHM N#CC(=C([O-])c1ccc(C(N)=O)cc1)c1ccc(C(F)(F)F)cn1 ZINC000047371579 472699360 /nfs/dbraw/zinc/69/93/60/472699360.db2.gz ZSPSFVHFAHMHSH-LBPRGKRZSA-N -1 3 333.269 2.689 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156514980 472717185 /nfs/dbraw/zinc/71/71/85/472717185.db2.gz LYHYAFPSTHVORR-DOMZBBRYSA-N -1 3 340.420 2.571 20 30 EFEDHM Cc1ccc(N2CCC[C@H](/N=C/c3ccc(O)c([O-])c3O)C2=O)cc1 ZINC000132376510 472730686 /nfs/dbraw/zinc/73/06/86/472730686.db2.gz WRTVDQVCQMBKLI-BBJIBYMTSA-N -1 3 340.379 2.726 20 30 EFEDHM C#CCN(CC#C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000072907023 472738847 /nfs/dbraw/zinc/73/88/47/472738847.db2.gz XDHJEKVHDYEXLA-UHFFFAOYSA-N -1 3 333.416 2.720 20 30 EFEDHM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000156722083 472743548 /nfs/dbraw/zinc/74/35/48/472743548.db2.gz VFVIFWAJCGZJGH-NWDGAFQWSA-N -1 3 337.401 2.571 20 30 EFEDHM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156767979 472750474 /nfs/dbraw/zinc/75/04/74/472750474.db2.gz SZXLGHDDAUDSJY-NWDGAFQWSA-N -1 3 337.401 2.571 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156767844 472750825 /nfs/dbraw/zinc/75/08/25/472750825.db2.gz SZXLGHDDAUDSJY-VXGBXAGGSA-N -1 3 337.401 2.571 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000156834451 472758915 /nfs/dbraw/zinc/75/89/15/472758915.db2.gz OKGYVSXEWVHBSO-HUUCEWRRSA-N -1 3 334.347 2.671 20 30 EFEDHM N#CC(=C([O-])c1ccc2nncn2c1)c1ccc(C(F)(F)F)cn1 ZINC000073087545 472769849 /nfs/dbraw/zinc/76/98/49/472769849.db2.gz DCUVQLPFVLLAET-NSHDSACASA-N -1 3 331.257 2.633 20 30 EFEDHM O=C(CNC(=O)OCc1ccccc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000063466231 472778670 /nfs/dbraw/zinc/77/86/70/472778670.db2.gz LLPIMUWVAWENSE-UHFFFAOYSA-N -1 3 341.327 2.579 20 30 EFEDHM O=C(CNC(=O)OCc1ccccc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000063466231 472778673 /nfs/dbraw/zinc/77/86/73/472778673.db2.gz LLPIMUWVAWENSE-UHFFFAOYSA-N -1 3 341.327 2.579 20 30 EFEDHM O=C(CNC(=O)OCc1ccccc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000063466231 472778674 /nfs/dbraw/zinc/77/86/74/472778674.db2.gz LLPIMUWVAWENSE-UHFFFAOYSA-N -1 3 341.327 2.579 20 30 EFEDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CSCC#N ZINC000120987025 472779736 /nfs/dbraw/zinc/77/97/36/472779736.db2.gz YAOCGPAEDISRPU-UHFFFAOYSA-N -1 3 343.246 2.760 20 30 EFEDHM CCOCCO[C@@H](C)C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000063738390 472809044 /nfs/dbraw/zinc/80/90/44/472809044.db2.gz ACKZQCRHOLZTIT-NSHDSACASA-N -1 3 334.376 2.510 20 30 EFEDHM O=C(Cc1ccc(-n2cccn2)cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000048302446 472852751 /nfs/dbraw/zinc/85/27/51/472852751.db2.gz NIHIZCLACIGQDM-UHFFFAOYSA-N -1 3 345.366 2.883 20 30 EFEDHM O=C(Cc1ccc(-n2cccn2)cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000048302446 472852759 /nfs/dbraw/zinc/85/27/59/472852759.db2.gz NIHIZCLACIGQDM-UHFFFAOYSA-N -1 3 345.366 2.883 20 30 EFEDHM O=C(Cc1ccc(-n2cccn2)cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000048302446 472852764 /nfs/dbraw/zinc/85/27/64/472852764.db2.gz NIHIZCLACIGQDM-UHFFFAOYSA-N -1 3 345.366 2.883 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccncc1 ZINC000092263857 472885022 /nfs/dbraw/zinc/88/50/22/472885022.db2.gz QHOIPSJEMGSVLF-UHFFFAOYSA-N -1 3 349.843 2.863 20 30 EFEDHM COCCOc1cccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000065044839 472894100 /nfs/dbraw/zinc/89/41/00/472894100.db2.gz CVODLLRQHXWMEE-UHFFFAOYSA-N -1 3 328.328 2.726 20 30 EFEDHM COCCOc1cccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000065044839 472894105 /nfs/dbraw/zinc/89/41/05/472894105.db2.gz CVODLLRQHXWMEE-UHFFFAOYSA-N -1 3 328.328 2.726 20 30 EFEDHM COCCOc1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000065044839 472894114 /nfs/dbraw/zinc/89/41/14/472894114.db2.gz CVODLLRQHXWMEE-UHFFFAOYSA-N -1 3 328.328 2.726 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000092335679 472897219 /nfs/dbraw/zinc/89/72/19/472897219.db2.gz ZLTHMIWSHGLIET-CYBMUJFWSA-N -1 3 341.820 2.616 20 30 EFEDHM C=CCNC(=O)c1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1 ZINC000106909213 472909754 /nfs/dbraw/zinc/90/97/54/472909754.db2.gz HAQMVKRCJXKSSR-UHFFFAOYSA-N -1 3 340.379 2.877 20 30 EFEDHM O=C(CCNC(=O)c1ccsc1)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973913 472913884 /nfs/dbraw/zinc/91/38/84/472913884.db2.gz PPFDSLOEBYIXMX-UHFFFAOYSA-N -1 3 331.357 2.534 20 30 EFEDHM O=C(CCNC(=O)c1ccsc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973913 472913888 /nfs/dbraw/zinc/91/38/88/472913888.db2.gz PPFDSLOEBYIXMX-UHFFFAOYSA-N -1 3 331.357 2.534 20 30 EFEDHM O=C(CCNC(=O)c1ccsc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973913 472913891 /nfs/dbraw/zinc/91/38/91/472913891.db2.gz PPFDSLOEBYIXMX-UHFFFAOYSA-N -1 3 331.357 2.534 20 30 EFEDHM COc1ccc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1OC ZINC000073973579 472914617 /nfs/dbraw/zinc/91/46/17/472914617.db2.gz DAOPCPAHSZMGCA-UHFFFAOYSA-N -1 3 328.328 2.913 20 30 EFEDHM COc1ccc(CC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1OC ZINC000073973579 472914620 /nfs/dbraw/zinc/91/46/20/472914620.db2.gz DAOPCPAHSZMGCA-UHFFFAOYSA-N -1 3 328.328 2.913 20 30 EFEDHM COc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1OC ZINC000073973579 472914628 /nfs/dbraw/zinc/91/46/28/472914628.db2.gz DAOPCPAHSZMGCA-UHFFFAOYSA-N -1 3 328.328 2.913 20 30 EFEDHM C[C@@H](NC(=O)c1cccs1)C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073974438 472914796 /nfs/dbraw/zinc/91/47/96/472914796.db2.gz YLKHTZRTYADFTK-MRVPVSSYSA-N -1 3 331.357 2.533 20 30 EFEDHM C[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073974438 472914800 /nfs/dbraw/zinc/91/48/00/472914800.db2.gz YLKHTZRTYADFTK-MRVPVSSYSA-N -1 3 331.357 2.533 20 30 EFEDHM C[C@@H](NC(=O)c1cccs1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073974438 472914802 /nfs/dbraw/zinc/91/48/02/472914802.db2.gz YLKHTZRTYADFTK-MRVPVSSYSA-N -1 3 331.357 2.533 20 30 EFEDHM N#CC(=C([O-])c1ccccc1OCC(N)=O)c1ccc2ccccc2n1 ZINC000048855184 472915038 /nfs/dbraw/zinc/91/50/38/472915038.db2.gz SABPCSHXFHLQRS-OAHLLOKOSA-N -1 3 345.358 2.589 20 30 EFEDHM CC(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000049458162 472950866 /nfs/dbraw/zinc/95/08/66/472950866.db2.gz GLSBYWRTNRXJBY-HNNXBMFYSA-N -1 3 328.393 2.754 20 30 EFEDHM Cc1ccccc1NC(=O)C(C#N)Cn1[n-]c(C(F)(F)F)cc1=O ZINC000122001404 472960793 /nfs/dbraw/zinc/96/07/93/472960793.db2.gz VIBXZXJXYKMAPU-SNVBAGLBSA-N -1 3 338.289 2.694 20 30 EFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000135011808 473005919 /nfs/dbraw/zinc/00/59/19/473005919.db2.gz MOFCOCQYAOBFDN-UHFFFAOYSA-N -1 3 348.366 2.534 20 30 EFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000135011808 473005924 /nfs/dbraw/zinc/00/59/24/473005924.db2.gz MOFCOCQYAOBFDN-UHFFFAOYSA-N -1 3 348.366 2.534 20 30 EFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000135011808 473005928 /nfs/dbraw/zinc/00/59/28/473005928.db2.gz MOFCOCQYAOBFDN-UHFFFAOYSA-N -1 3 348.366 2.534 20 30 EFEDHM C=CCOc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000065821297 473015861 /nfs/dbraw/zinc/01/58/61/473015861.db2.gz CTSSLDOYNJWOLV-UHFFFAOYSA-N -1 3 337.335 2.779 20 30 EFEDHM O=c1[n-]nc(SCC#Cc2cccc(Cl)c2)n1C[C@H]1CCCO1 ZINC000159369720 473021885 /nfs/dbraw/zinc/02/18/85/473021885.db2.gz PQOHQYLWKFHECR-CQSZACIVSA-N -1 3 349.843 2.548 20 30 EFEDHM C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000065880119 473023136 /nfs/dbraw/zinc/02/31/36/473023136.db2.gz FNIFBOSYAIQIPY-LLVKDONJSA-N -1 3 342.403 2.540 20 30 EFEDHM C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000065880119 473023144 /nfs/dbraw/zinc/02/31/44/473023144.db2.gz FNIFBOSYAIQIPY-LLVKDONJSA-N -1 3 342.403 2.540 20 30 EFEDHM C[C@@H](NC(=O)C1CCCCC1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000065880119 473023146 /nfs/dbraw/zinc/02/31/46/473023146.db2.gz FNIFBOSYAIQIPY-LLVKDONJSA-N -1 3 342.403 2.540 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000065880224 473023206 /nfs/dbraw/zinc/02/32/06/473023206.db2.gz HXHOEKODQYRQGF-UHFFFAOYSA-N -1 3 349.310 2.893 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000065880224 473023212 /nfs/dbraw/zinc/02/32/12/473023212.db2.gz HXHOEKODQYRQGF-UHFFFAOYSA-N -1 3 349.310 2.893 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000065880224 473023219 /nfs/dbraw/zinc/02/32/19/473023219.db2.gz HXHOEKODQYRQGF-UHFFFAOYSA-N -1 3 349.310 2.893 20 30 EFEDHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c([O-])c1 ZINC000074673926 473045188 /nfs/dbraw/zinc/04/51/88/473045188.db2.gz DLDCDXWBBYYVID-QGZVFWFLSA-N -1 3 335.407 2.551 20 30 EFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000122718351 473049883 /nfs/dbraw/zinc/04/98/83/473049883.db2.gz XYLZNFUWAIJHRM-UHFFFAOYSA-N -1 3 349.799 2.835 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c(F)c1 ZINC000122924662 473074335 /nfs/dbraw/zinc/07/43/35/473074335.db2.gz VERRYAVPTPROHG-UHFFFAOYSA-N -1 3 337.401 2.510 20 30 EFEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000122964751 473079925 /nfs/dbraw/zinc/07/99/25/473079925.db2.gz WCCIWHMXCVDLKS-UHFFFAOYSA-N -1 3 341.845 2.709 20 30 EFEDHM CCc1nc([N-]C(=O)c2occc2COc2cccc(C#N)c2)n[nH]1 ZINC000123216518 473112433 /nfs/dbraw/zinc/11/24/33/473112433.db2.gz WVJDVNAGIZJPPC-UHFFFAOYSA-N -1 3 337.339 2.663 20 30 EFEDHM COc1ccc(F)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000093547142 473118572 /nfs/dbraw/zinc/11/85/72/473118572.db2.gz CVWOTDCJDMKNAQ-UHFFFAOYSA-N -1 3 343.358 2.582 20 30 EFEDHM C=CCn1nnnc1SCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000052895055 473160738 /nfs/dbraw/zinc/16/07/38/473160738.db2.gz YVJKSEWKWLHWQT-UHFFFAOYSA-N -1 3 344.396 2.526 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-]CCCCC#N)sc1Br ZINC000094448470 473185541 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Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000151215437 473427478 /nfs/dbraw/zinc/42/74/78/473427478.db2.gz VRBZOWPGLGSFAL-SNVBAGLBSA-N -1 3 338.429 2.977 20 30 EFEDHM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1cnc2ccccc2n1 ZINC000190947246 473437780 /nfs/dbraw/zinc/43/77/80/473437780.db2.gz MTCCXAVXIQQFEY-HNNXBMFYSA-N -1 3 340.346 2.701 20 30 EFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000163389299 473441571 /nfs/dbraw/zinc/44/15/71/473441571.db2.gz MTBXLKPXUUYVFP-UHFFFAOYSA-N -1 3 341.326 2.716 20 30 EFEDHM N#CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000171713850 473445695 /nfs/dbraw/zinc/44/56/95/473445695.db2.gz FRYRWIIGCWGXDM-UHFFFAOYSA-N -1 3 335.198 2.560 20 30 EFEDHM CC(C)N1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1=O ZINC000114630844 473487253 /nfs/dbraw/zinc/48/72/53/473487253.db2.gz DSRDAEAYQPFVCJ-GGNJANJASA-N -1 3 325.206 2.583 20 30 EFEDHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000191160742 473494677 /nfs/dbraw/zinc/49/46/77/473494677.db2.gz 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C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1cc2ccccc2o1 ZINC000352192050 476538494 /nfs/dbraw/zinc/53/84/94/476538494.db2.gz UJULHQMZSQYMQV-LLVKDONJSA-N -1 3 327.365 2.739 20 30 EFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000363179829 476595685 /nfs/dbraw/zinc/59/56/85/476595685.db2.gz RMFBUYNXMDBMBW-UHFFFAOYSA-N -1 3 341.436 2.655 20 30 EFEDHM N#CC(=C([O-])c1cnc2nccnc2c1)c1ccc(C(F)(F)F)cn1 ZINC000354365871 476614244 /nfs/dbraw/zinc/61/42/44/476614244.db2.gz LJHRDCNBQGMFKV-LLVKDONJSA-N -1 3 343.268 2.929 20 30 EFEDHM N#CC(=C([O-])c1cccc(I)c1)c1ccncn1 ZINC000354458438 476673493 /nfs/dbraw/zinc/67/34/93/476673493.db2.gz BGKUGSKYJJGZSJ-LLVKDONJSA-N -1 3 349.131 2.571 20 30 EFEDHM N#CCSc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000370168184 476684432 /nfs/dbraw/zinc/68/44/32/476684432.db2.gz AVTKBWGAQMMDFG-UHFFFAOYSA-N -1 3 336.380 2.735 20 30 EFEDHM N#CCSc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000370168184 476684435 /nfs/dbraw/zinc/68/44/35/476684435.db2.gz AVTKBWGAQMMDFG-UHFFFAOYSA-N -1 3 336.380 2.735 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000430017345 476736868 /nfs/dbraw/zinc/73/68/68/476736868.db2.gz IZDVVZDDQSNYLQ-DLBZAZTESA-N -1 3 349.415 2.941 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(N)ccc32)s1 ZINC000388732464 476778385 /nfs/dbraw/zinc/77/83/85/476778385.db2.gz OWOQXXUGQIVXIM-AWEZNQCLSA-N -1 3 333.438 2.558 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416399429 477161435 /nfs/dbraw/zinc/16/14/35/477161435.db2.gz OUACUKIWBWZDOH-QMMMGPOBSA-N -1 3 338.307 2.857 20 30 EFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000432282955 477189463 /nfs/dbraw/zinc/18/94/63/477189463.db2.gz KKPUCICLJQWBMB-UHFFFAOYSA-N -1 3 345.436 2.732 20 30 EFEDHM C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000416509362 477195020 /nfs/dbraw/zinc/19/50/20/477195020.db2.gz UIZMRENLLJILOW-SNVBAGLBSA-N -1 3 325.390 2.569 20 30 EFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416525875 477201893 /nfs/dbraw/zinc/20/18/93/477201893.db2.gz NWHNYOUZFPCHJQ-SNVBAGLBSA-N -1 3 331.821 2.760 20 30 EFEDHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000416531609 477204600 /nfs/dbraw/zinc/20/46/00/477204600.db2.gz FHZNDBZAMJMYOY-ZDUSSCGKSA-N -1 3 347.415 2.782 20 30 EFEDHM CCc1ncc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000416662001 477254176 /nfs/dbraw/zinc/25/41/76/477254176.db2.gz NRDLANHEKQITIW-AWEZNQCLSA-N -1 3 347.465 2.933 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CCC1 ZINC000416669045 477255609 /nfs/dbraw/zinc/25/56/09/477255609.db2.gz ITARAZRMPIQTFX-UHFFFAOYSA-N -1 3 336.310 2.817 20 30 EFEDHM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1OCCN(C)C ZINC000458192784 477313433 /nfs/dbraw/zinc/31/34/33/477313433.db2.gz CBOHXOCRPKHVMC-UHFFFAOYSA-N -1 3 339.395 2.765 20 30 EFEDHM N#Cc1ccc(OC2CCN(C(=O)c3csc(=O)[n-]3)CC2)c(F)c1 ZINC000376477981 477354233 /nfs/dbraw/zinc/35/42/33/477354233.db2.gz FTHJFSLLSIOQIC-UHFFFAOYSA-N -1 3 347.371 2.543 20 30 EFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC)cc1Br ZINC000416940024 477379062 /nfs/dbraw/zinc/37/90/62/477379062.db2.gz OGURCKRUFIEWNK-VIFPVBQESA-N -1 3 333.207 2.502 20 30 EFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc2c(cc1Br)CCC2 ZINC000416948057 477383167 /nfs/dbraw/zinc/38/31/67/477383167.db2.gz BWKDUSCXRZSGFW-NSHDSACASA-N -1 3 343.246 2.982 20 30 EFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000416961083 477389449 /nfs/dbraw/zinc/38/94/49/477389449.db2.gz RMKPHFNQVCYPKN-LHSJRXKWSA-N -1 3 342.486 2.778 20 30 EFEDHM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C#N)c(OC)c2)c1 ZINC000417584404 477457313 /nfs/dbraw/zinc/45/73/13/477457313.db2.gz NLMXPNGHIGRDED-KRWDZBQOSA-N -1 3 340.379 2.881 20 30 EFEDHM N#Cc1cnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c(F)c1 ZINC000413038572 477481036 /nfs/dbraw/zinc/48/10/36/477481036.db2.gz UEXDGYJBZKRXAC-UHFFFAOYSA-N -1 3 340.358 2.653 20 30 EFEDHM C=CCc1cc(CNC(=O)c2c([O-])cccc2O)cc(OC)c1OC ZINC000436649413 477544103 /nfs/dbraw/zinc/54/41/03/477544103.db2.gz RWNPKAYLFRBWJX-UHFFFAOYSA-N -1 3 343.379 2.774 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436772419 477585619 /nfs/dbraw/zinc/58/56/19/477585619.db2.gz LKPASVLNYFGBAM-CQSZACIVSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCC(C)(C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436805579 477596268 /nfs/dbraw/zinc/59/62/68/477596268.db2.gz DQHZFSGAYOTRQA-UHFFFAOYSA-N -1 3 330.428 2.715 20 30 EFEDHM COC(=O)c1cc(C)nc2nc(S[C@@H]3CC[C@H](C#N)C3)[n-]c(=O)c21 ZINC000450818236 477728540 /nfs/dbraw/zinc/72/85/40/477728540.db2.gz HGHSCLDRIOPSDB-VHSXEESVSA-N -1 3 344.396 2.610 20 30 EFEDHM COc1cccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1[O-] ZINC000372328860 477759005 /nfs/dbraw/zinc/75/90/05/477759005.db2.gz AKRCGJHHNLGVNG-UHFFFAOYSA-N -1 3 348.362 2.593 20 30 EFEDHM COC(=O)[C@@H](CNc1snc(C)c1C#N)Cc1ccc([O-])c(F)c1 ZINC000420636848 477763464 /nfs/dbraw/zinc/76/34/64/477763464.db2.gz NVYMSTXIVUFEGZ-LLVKDONJSA-N -1 3 349.387 2.612 20 30 EFEDHM N#CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420672929 477765050 /nfs/dbraw/zinc/76/50/50/477765050.db2.gz YPUKEEBBZXRBSK-UHFFFAOYSA-N -1 3 338.763 2.914 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCCCCc1ccccc1 ZINC000428240020 477849281 /nfs/dbraw/zinc/84/92/81/477849281.db2.gz QIKGFBPMHKGXQU-UHFFFAOYSA-N -1 3 329.425 2.645 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccc2ccccc2c1 ZINC000428239378 477849874 /nfs/dbraw/zinc/84/98/74/477849874.db2.gz GRQNQMHNMIYETH-UHFFFAOYSA-N -1 3 337.404 2.627 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)C(C)(C)c1ccccc1 ZINC000428240594 477850379 /nfs/dbraw/zinc/85/03/79/477850379.db2.gz CGIUSSLCWQOZFQ-ZDUSSCGKSA-N -1 3 329.425 2.598 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1 ZINC000428247247 477851317 /nfs/dbraw/zinc/85/13/17/477851317.db2.gz SVWQGLQMNQYBCT-UHFFFAOYSA-N -1 3 349.843 2.863 20 30 EFEDHM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428248729 477852074 /nfs/dbraw/zinc/85/20/74/477852074.db2.gz QSMKNYJCABKLSF-HNNXBMFYSA-N -1 3 329.425 2.643 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCSc2c(F)cccc21 ZINC000428248889 477852458 /nfs/dbraw/zinc/85/24/58/477852458.db2.gz WTOOQBNCCYXMPB-GFCCVEGCSA-N -1 3 349.412 2.608 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCCC1 ZINC000428254175 477853247 /nfs/dbraw/zinc/85/32/47/477853247.db2.gz BJDWXIKMBCOZKF-UHFFFAOYSA-N -1 3 345.399 2.840 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(-c2ccccc2)o1 ZINC000428253588 477854412 /nfs/dbraw/zinc/85/44/12/477854412.db2.gz RHNGMRBHEJTVFT-UHFFFAOYSA-N -1 3 339.376 2.692 20 30 EFEDHM CC(C)([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(Cl)c1 ZINC000428267545 477856077 /nfs/dbraw/zinc/85/60/77/477856077.db2.gz IPSZETSHJLSCJO-UHFFFAOYSA-N -1 3 335.816 2.820 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc2c(c1)CCCC2 ZINC000428264301 477856131 /nfs/dbraw/zinc/85/61/31/477856131.db2.gz CALPXPXYEJNYFY-ZDUSSCGKSA-N -1 3 341.436 2.872 20 30 EFEDHM CC[C@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428267630 477856496 /nfs/dbraw/zinc/85/64/96/477856496.db2.gz JFKAFIYRJCTRHP-CQSZACIVSA-N -1 3 349.843 2.906 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000428389947 477883977 /nfs/dbraw/zinc/88/39/77/477883977.db2.gz NCFIHQYHTMHOFQ-WDEREUQCSA-N -1 3 347.362 2.600 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc2cccc(F)c2o1 ZINC000428408373 477888019 /nfs/dbraw/zinc/88/80/19/477888019.db2.gz SUDDUQQNLBHEDC-SNVBAGLBSA-N -1 3 345.355 2.878 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cncs1 ZINC000439190139 477940405 /nfs/dbraw/zinc/94/04/05/477940405.db2.gz ITMKMYGMMSPLBN-QMMMGPOBSA-N -1 3 327.818 2.708 20 30 EFEDHM C=CCc1ccccc1OC[C@H](O)COc1ccc2c([O-])coc2c1 ZINC000559283162 477974150 /nfs/dbraw/zinc/97/41/50/477974150.db2.gz NBFIHOIFOWLGSC-OAHLLOKOSA-N -1 3 340.375 2.809 20 30 EFEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](CC)OC ZINC000421153310 477985066 /nfs/dbraw/zinc/98/50/66/477985066.db2.gz LZIYPCZUXUJSQZ-CYBMUJFWSA-N -1 3 325.434 2.547 20 30 EFEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](CC)OC ZINC000421153311 477985283 /nfs/dbraw/zinc/98/52/83/477985283.db2.gz LZIYPCZUXUJSQZ-ZDUSSCGKSA-N -1 3 325.434 2.547 20 30 EFEDHM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1cn[n-]c(=O)c1Cl ZINC000494470635 477992663 /nfs/dbraw/zinc/99/26/63/477992663.db2.gz NEGHTELJEXENMT-QMMMGPOBSA-N -1 3 343.815 2.927 20 30 EFEDHM CC[C@H](CS(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1)OC ZINC000421166522 477992620 /nfs/dbraw/zinc/99/26/20/477992620.db2.gz QGGZVDCOPYSCKH-CQSZACIVSA-N -1 3 340.445 2.902 20 30 EFEDHM CCCC(O)(CCC)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475770679 478018145 /nfs/dbraw/zinc/01/81/45/478018145.db2.gz JPPKYULDYVKGKB-UHFFFAOYSA-N -1 3 330.494 2.711 20 30 EFEDHM Cc1c(C#N)cccc1NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C ZINC000495191310 478138362 /nfs/dbraw/zinc/13/83/62/478138362.db2.gz QSARKWIWCOWPCA-NSHDSACASA-N -1 3 348.403 2.833 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC000495191310 478138367 /nfs/dbraw/zinc/13/83/67/478138367.db2.gz QSARKWIWCOWPCA-NSHDSACASA-N -1 3 348.403 2.833 20 30 EFEDHM CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000451744712 478188754 /nfs/dbraw/zinc/18/87/54/478188754.db2.gz FVZMTJUFQMXNAH-VXGBXAGGSA-N -1 3 337.401 2.571 20 30 EFEDHM C=C(C)CC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000451802899 478208970 /nfs/dbraw/zinc/20/89/70/478208970.db2.gz OCLHEJPEKAWAOW-UHFFFAOYSA-N -1 3 329.219 2.565 20 30 EFEDHM C=C[C@H]1CCCCN1Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000489518988 478254042 /nfs/dbraw/zinc/25/40/42/478254042.db2.gz WPUXATWOBMPPLO-NSHDSACASA-N -1 3 347.440 2.620 20 30 EFEDHM COC(=O)c1cc(C(=O)[N-]c2ccc(OC(C)(C)C)c(C#N)c2)on1 ZINC000590773349 478330566 /nfs/dbraw/zinc/33/05/66/478330566.db2.gz YWXRDCVSGXWUAC-UHFFFAOYSA-N -1 3 343.339 2.762 20 30 EFEDHM N#Cc1ccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000594356290 478341173 /nfs/dbraw/zinc/34/11/73/478341173.db2.gz WTUPOHPEWLJYMI-UHFFFAOYSA-N -1 3 328.759 2.515 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSC[C@@H]1C1CC1 ZINC000590872623 478378112 /nfs/dbraw/zinc/37/81/12/478378112.db2.gz SWCKUDZFPZXBDA-MRXNPFEDSA-N -1 3 345.468 2.562 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(C(F)(F)F)nn3C)nc1-2 ZINC000581649576 478409306 /nfs/dbraw/zinc/40/93/06/478409306.db2.gz HPYXDVCOZVQELU-QMMMGPOBSA-N -1 3 348.288 2.509 20 30 EFEDHM N#C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000527166593 478416028 /nfs/dbraw/zinc/41/60/28/478416028.db2.gz YFOYKESLDFNTKD-VIFPVBQESA-N -1 3 343.286 2.742 20 30 EFEDHM N#C[C@H](NC(=O)c1cccc2nn[n-]c21)c1cccc(C(F)(F)F)c1 ZINC000527357209 478424209 /nfs/dbraw/zinc/42/42/09/478424209.db2.gz PYMIYJYNNQKIJV-ZDUSSCGKSA-N -1 3 345.284 2.971 20 30 EFEDHM N#C[C@H](NC(=O)c1cccc2[n-]nnc21)c1cccc(C(F)(F)F)c1 ZINC000527357209 478424214 /nfs/dbraw/zinc/42/42/14/478424214.db2.gz PYMIYJYNNQKIJV-ZDUSSCGKSA-N -1 3 345.284 2.971 20 30 EFEDHM N#C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(C(F)(F)F)c1 ZINC000527357209 478424217 /nfs/dbraw/zinc/42/42/17/478424217.db2.gz PYMIYJYNNQKIJV-ZDUSSCGKSA-N -1 3 345.284 2.971 20 30 EFEDHM COc1cccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1F ZINC000594576747 478446565 /nfs/dbraw/zinc/44/65/65/478446565.db2.gz DGRGZCJAXOZSHA-ABAIWWIYSA-N -1 3 326.393 2.585 20 30 EFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000600668331 478459885 /nfs/dbraw/zinc/45/98/85/478459885.db2.gz OHBDKDXCXLBDEL-SECBINFHSA-N -1 3 349.225 2.867 20 30 EFEDHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000594705817 478504141 /nfs/dbraw/zinc/50/41/41/478504141.db2.gz NKWWPRDNRHJESS-MRXNPFEDSA-N -1 3 337.445 2.547 20 30 EFEDHM C#C[C@H](CCC)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000491309616 478506102 /nfs/dbraw/zinc/50/61/02/478506102.db2.gz ZZCWJFLHMPTKNU-LLVKDONJSA-N -1 3 325.206 2.756 20 30 EFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594720610 478512953 /nfs/dbraw/zinc/51/29/53/478512953.db2.gz LNMWPIKEPNVIJG-LLVKDONJSA-N -1 3 349.225 2.700 20 30 EFEDHM CO[C@H](CS(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1)C1CCCCC1 ZINC000594723888 478514192 /nfs/dbraw/zinc/51/41/92/478514192.db2.gz PLSXBAIGODHEOI-USXIJHARSA-N -1 3 342.505 2.974 20 30 EFEDHM COCC(C)(C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594752018 478529978 /nfs/dbraw/zinc/52/99/78/478529978.db2.gz GNPPCFNKOWAZNX-UHFFFAOYSA-N -1 3 338.454 2.785 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c(F)c1 ZINC000582222907 478541602 /nfs/dbraw/zinc/54/16/02/478541602.db2.gz YGQPEDGFHUMBII-LLVKDONJSA-N -1 3 332.347 2.801 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1 ZINC000594858134 478562518 /nfs/dbraw/zinc/56/25/18/478562518.db2.gz QDPDUCVVTMHGAF-GFCCVEGCSA-N -1 3 343.246 2.788 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(F)cc2C(=O)OC)CCCC1 ZINC000594864900 478566645 /nfs/dbraw/zinc/56/66/45/478566645.db2.gz PELYUODZCFKFGG-UHFFFAOYSA-N -1 3 341.404 2.780 20 30 EFEDHM N#CC[C@H]1CCCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000597904254 478566811 /nfs/dbraw/zinc/56/68/11/478566811.db2.gz GGHMWNUKHPOFBB-SNVBAGLBSA-N -1 3 331.322 2.572 20 30 EFEDHM 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EFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000611113653 479284960 /nfs/dbraw/zinc/28/49/60/479284960.db2.gz CQEOWTBMGOMFHS-MRVPVSSYSA-N -1 3 337.264 2.727 20 30 EFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000611114610 479286339 /nfs/dbraw/zinc/28/63/39/479286339.db2.gz YKODEDIYFFROOW-VIFPVBQESA-N -1 3 349.225 2.805 20 30 EFEDHM Cc1ccncc1Cc1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000596617624 479360578 /nfs/dbraw/zinc/36/05/78/479360578.db2.gz VCDHIRMBZAUEFU-UHFFFAOYSA-N -1 3 349.394 2.738 20 30 EFEDHM CC[C@@H](C#N)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000593523242 479377093 /nfs/dbraw/zinc/37/70/93/479377093.db2.gz MSIAADRNKUAREW-NSHDSACASA-N -1 3 349.818 2.772 20 30 EFEDHM N#Cc1sccc1S(=O)(=O)[N-]C12CC(c3ccccc3)(C1)C2 ZINC000603417322 479379429 /nfs/dbraw/zinc/37/94/29/479379429.db2.gz DWCHKGLHQQNYQT-UHFFFAOYSA-N -1 3 330.434 2.772 20 30 EFEDHM CCOC(=O)c1sc([N-]C(=O)c2cccnc2OC)c(C#N)c1C ZINC000603463888 479388918 /nfs/dbraw/zinc/38/89/18/479388918.db2.gz 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343.383 2.641 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2[n-]c(C)nc2C(=O)OCC)cc1 ZINC000577200634 479588854 /nfs/dbraw/zinc/58/88/54/479588854.db2.gz MKLJIOIAVSJYRK-UHFFFAOYSA-N -1 3 343.383 2.641 20 30 EFEDHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000579175491 479669170 /nfs/dbraw/zinc/66/91/70/479669170.db2.gz RMKGJYAVRRABDA-DLBZAZTESA-N -1 3 348.468 2.828 20 30 EFEDHM COc1ccc(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c([O-])c1 ZINC000615434927 479672700 /nfs/dbraw/zinc/67/27/00/479672700.db2.gz NOHDKRFVLCSHMV-KRWDZBQOSA-N -1 3 337.379 2.880 20 30 EFEDHM Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1)N(C)C ZINC000615500213 479680445 /nfs/dbraw/zinc/68/04/45/479680445.db2.gz GOWJZYJLEIBRSZ-KUHUBIRLSA-N -1 3 337.423 2.994 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625110797 479773596 /nfs/dbraw/zinc/77/35/96/479773596.db2.gz FGEIABZPRMNZSW-NSHDSACASA-N -1 3 334.388 2.749 20 30 EFEDHM COCCN(CCC#N)Cc1ccc(OC)c([O-])c1Br ZINC000612852092 479781939 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N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000619549186 479825477 /nfs/dbraw/zinc/82/54/77/479825477.db2.gz HWMGYTHTYCQKHS-HIFRSBDPSA-N -1 3 348.449 2.818 20 30 EFEDHM CCOC(=O)c1sc([N-]C(=O)c2cc(OC)ccn2)c(C#N)c1C ZINC000609695005 480197112 /nfs/dbraw/zinc/19/71/12/480197112.db2.gz ROOYNVBGPBAHKF-UHFFFAOYSA-N -1 3 345.380 2.761 20 30 EFEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000610011833 480227842 /nfs/dbraw/zinc/22/78/42/480227842.db2.gz URGWXDRKXNHGRI-QGZVFWFLSA-N -1 3 339.370 2.688 20 30 EFEDHM CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614364899 480283560 /nfs/dbraw/zinc/28/35/60/480283560.db2.gz DITBLYKMYQSZEY-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM CN(C)CCN(Cc1cccc(F)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614364982 480283885 /nfs/dbraw/zinc/28/38/85/480283885.db2.gz SEFIOFUVDOVRLH-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM COc1cc(C#N)ccc1OCCOc1ccc2c([O-])coc2c1C ZINC000634560621 480357350 /nfs/dbraw/zinc/35/73/50/480357350.db2.gz QPZWRXZNOOCYTH-UHFFFAOYSA-N -1 3 339.347 2.908 20 30 EFEDHM C=CCOc1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000636114759 480801760 /nfs/dbraw/zinc/80/17/60/480801760.db2.gz QGJGLRHAUUTKJN-UHFFFAOYSA-N -1 3 327.384 2.721 20 30 EFEDHM C=CCC1(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])CCC1 ZINC000646200867 481154024 /nfs/dbraw/zinc/15/40/24/481154024.db2.gz MTCREXPYOAVJJT-QWHCGFSZSA-N -1 3 331.416 2.613 20 30 EFEDHM C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1)C(C)C ZINC000653306636 481216546 /nfs/dbraw/zinc/21/65/46/481216546.db2.gz SHHJEJDTVZJAEU-QFBILLFUSA-N -1 3 334.460 2.612 20 30 EFEDHM C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C(=O)[O-])CC=CCC1)C(C)C ZINC000653306635 481217487 /nfs/dbraw/zinc/21/74/87/481217487.db2.gz SHHJEJDTVZJAEU-LPHOPBHVSA-N -1 3 334.460 2.612 20 30 EFEDHM N#CC(=C([O-])c1cncc(-n2ccnn2)c1)c1ccc2ccccc2n1 ZINC000670115228 481434100 /nfs/dbraw/zinc/43/41/00/481434100.db2.gz YAEDCTIOLSFBMV-INIZCTEOSA-N -1 3 340.346 2.701 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000660142936 481783465 /nfs/dbraw/zinc/78/34/65/481783465.db2.gz IQQZFNQLXHJDTR-UHFFFAOYSA-N -1 3 340.420 2.734 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cnc(N(C)C)c(Cl)c2)nc(C)n1 ZINC000654969919 482111965 /nfs/dbraw/zinc/11/19/65/482111965.db2.gz OOAUOWJVKNCBOG-LBPRGKRZSA-N -1 3 329.791 2.698 20 30 EFEDHM C=C[C@H](C(=O)[O-])N1CCC(Oc2cccc(Br)c2)CC1 ZINC000652435348 482232437 /nfs/dbraw/zinc/23/24/37/482232437.db2.gz CSRSQNYWXSFNMF-CQSZACIVSA-N -1 3 340.217 2.932 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000231031640 536057615 /nfs/dbraw/zinc/05/76/15/536057615.db2.gz ZXXRCBGCHJQCAI-MRVPVSSYSA-N -1 3 335.198 2.559 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000435601392 534353250 /nfs/dbraw/zinc/35/32/50/534353250.db2.gz MDBUFYIASBFBJJ-IAQYHMDHSA-N -1 3 331.384 2.533 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000057809464 518790642 /nfs/dbraw/zinc/79/06/42/518790642.db2.gz 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ZINC000076504782 525405105 /nfs/dbraw/zinc/40/51/05/525405105.db2.gz CFPOMPQQLFHVGT-CYBMUJFWSA-N -1 3 329.444 2.881 20 30 EFEDHM CC#CCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000158836777 526338494 /nfs/dbraw/zinc/33/84/94/526338494.db2.gz KTMATICHTCPHTH-UHFFFAOYSA-N -1 3 336.638 2.794 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)s1 ZINC000230350183 526681954 /nfs/dbraw/zinc/68/19/54/526681954.db2.gz LFRNWAXTWBKDLO-UHFFFAOYSA-N -1 3 332.859 2.856 20 30 EFEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000163672248 527284572 /nfs/dbraw/zinc/28/45/72/527284572.db2.gz XEWZZAMNGPZWHH-NSHDSACASA-N -1 3 343.412 2.969 20 30 EFEDHM CC(C)(C#N)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175768049 527446674 /nfs/dbraw/zinc/44/66/74/527446674.db2.gz QIJPAWJLFZOTLA-UHFFFAOYSA-N -1 3 349.818 2.772 20 30 EFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000290950675 534939715 /nfs/dbraw/zinc/93/97/15/534939715.db2.gz MTSHBLYSEYJIID-CYBMUJFWSA-N -1 3 343.246 2.561 20 30 EFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccnc(C)c2)C1=O ZINC000279235284 534988630 /nfs/dbraw/zinc/98/86/30/534988630.db2.gz ZDQGLACUXFWVLE-SFHVURJKSA-N -1 3 346.431 2.706 20 30 EFEDHM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435429718 535498717 /nfs/dbraw/zinc/49/87/17/535498717.db2.gz YVUJEFJEXUKGBM-UHFFFAOYSA-N -1 3 336.438 2.539 20 30 EFEDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)cs1 ZINC000435427278 536153601 /nfs/dbraw/zinc/15/36/01/536153601.db2.gz MELSZDPJCWKZRJ-QMMMGPOBSA-N -1 3 327.456 2.678 20 30 EFEDHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000341422051 536190739 /nfs/dbraw/zinc/19/07/39/536190739.db2.gz QLIQLMAXAYNOJK-OAHLLOKOSA-N -1 3 337.379 2.515 20 30 EFEDHM COc1cc(C(=O)N[C@H](C#N)c2ccccc2F)cc(OC)c1[O-] ZINC000358517737 536513199 /nfs/dbraw/zinc/51/31/99/536513199.db2.gz SMZMUPQFALSNMG-CYBMUJFWSA-N -1 3 330.315 2.543 20 30 EFEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C#N)C3CCCCC3)cn21 ZINC000333214545 545871134 /nfs/dbraw/zinc/87/11/34/545871134.db2.gz VDLSIRPDSRQLSQ-OCCSQVGLSA-N -1 3 336.461 2.531 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCOCC1 ZINC000657128980 547040072 /nfs/dbraw/zinc/04/00/72/547040072.db2.gz BAYPDJKHVZYONC-UHFFFAOYSA-N -1 3 333.812 2.883 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000678845290 549001466 /nfs/dbraw/zinc/00/14/66/549001466.db2.gz JYGCBEWXCNEVLO-NEPJUHHUSA-N -1 3 344.502 2.968 20 30 EFEDHM COCCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C)n1 ZINC000679881576 549210690 /nfs/dbraw/zinc/21/06/90/549210690.db2.gz PQEDFEVCFDRFDZ-HNNXBMFYSA-N -1 3 334.379 2.876 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3CCC3)no2)ccc1F ZINC000680695055 549373372 /nfs/dbraw/zinc/37/33/72/549373372.db2.gz OBMFTEBERKHEAL-UHFFFAOYSA-N -1 3 337.376 2.608 20 30 EFEDHM C[C@H]1CCCC[C@H]1NC(=S)NN=C1C(=O)[N-]c2c1cccc2F ZINC000753954789 575366099 /nfs/dbraw/zinc/36/60/99/575366099.db2.gz HSDHUPRAKQLOKF-JOYOIKCWSA-N -1 3 334.420 2.525 20 30 EFEDHM COc1cc([N+](=O)[O-])ccc1NN=C1C(=O)[N-]c2c1cccc2F ZINC000753961174 575366939 /nfs/dbraw/zinc/36/69/39/575366939.db2.gz XSLILKULBJFCFT-UHFFFAOYSA-N -1 3 330.275 2.511 20 30 EFEDHM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(Cl)c(C#N)c1 ZINC000754032446 575378450 /nfs/dbraw/zinc/37/84/50/575378450.db2.gz VOTVPEQUZUZSFK-UHFFFAOYSA-N -1 3 344.783 2.675 20 30 EFEDHM C=CCc1cc(OC)cc(CN2CCO[C@@H](C(F)(F)F)C2)c1[O-] ZINC000754740936 575481164 /nfs/dbraw/zinc/48/11/64/575481164.db2.gz JSGFCFRGKDDERZ-CQSZACIVSA-N -1 3 331.334 2.892 20 30 EFEDHM COc1cccc([O-])c1/C=N\[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000755032523 575532546 /nfs/dbraw/zinc/53/25/46/575532546.db2.gz VHEHDPKNHJIFSG-YYLUKMIBSA-N -1 3 346.333 2.903 20 30 EFEDHM C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2c([O-])cccc2Cl)C1=O ZINC000755543740 575599544 /nfs/dbraw/zinc/59/95/44/575599544.db2.gz UKIASNAHJOIWPV-KRWDZBQOSA-N -1 3 343.770 2.847 20 30 EFEDHM Cn1c(=O)c2ccccc2nc1NN=Cc1c([O-])cccc1Cl ZINC000755604984 575607114 /nfs/dbraw/zinc/60/71/14/575607114.db2.gz UDMDEVVPFHODPQ-UHFFFAOYSA-N -1 3 328.759 2.739 20 30 EFEDHM CC(=NNCCN1CCCCC1)c1ccc(Br)cc1[O-] ZINC000756826426 575790045 /nfs/dbraw/zinc/79/00/45/575790045.db2.gz ZSYACVQMIRJFJP-UHFFFAOYSA-N -1 3 340.265 2.954 20 30 EFEDHM CC(=O)N1CC[C@H](/N=C\c2c([O-])c(C)ncc2CO)c2ccccc21 ZINC000756845673 575791466 /nfs/dbraw/zinc/79/14/66/575791466.db2.gz DZBLVRZNBWYVGW-SOFYTKRASA-N -1 3 339.395 2.505 20 30 EFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000756974706 575806903 /nfs/dbraw/zinc/80/69/03/575806903.db2.gz HPMWERYUSNLJML-CQSZACIVSA-N -1 3 330.365 2.638 20 30 EFEDHM [O-]c1c(O)cc(CN=Nc2ccc(Cl)nn2)cc1Br ZINC000757561999 575842381 /nfs/dbraw/zinc/84/23/81/575842381.db2.gz WTDZKWQKVNWYKX-UHFFFAOYSA-N -1 3 343.568 2.750 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CC12CCOCC2 ZINC000758024063 575858322 /nfs/dbraw/zinc/85/83/22/575858322.db2.gz CGNXOVYMGJFYMJ-CQSZACIVSA-N -1 3 344.411 2.568 20 30 EFEDHM COc1cc(Cl)cc(C=NNCCOCC(F)(F)F)c1[O-] ZINC000758878780 575879291 /nfs/dbraw/zinc/87/92/91/575879291.db2.gz KPNVDPRSNWLJHM-UHFFFAOYSA-N -1 3 326.702 2.557 20 30 EFEDHM Cc1cc([O-])ccc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000758530580 575871708 /nfs/dbraw/zinc/87/17/08/575871708.db2.gz IAIQBZVKGSFNID-ZDUSSCGKSA-N -1 3 330.384 2.589 20 30 EFEDHM Cc1cc([O-])ccc1C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000758530577 575871767 /nfs/dbraw/zinc/87/17/67/575871767.db2.gz IAIQBZVKGSFNID-CYBMUJFWSA-N -1 3 330.384 2.589 20 30 EFEDHM COc1cc(Cl)cc(C=NNc2cn[nH]c(=O)c2Cl)c1[O-] ZINC000758870252 575879184 /nfs/dbraw/zinc/87/91/84/575879184.db2.gz PRGRAKRNTSNSNC-UHFFFAOYSA-N -1 3 329.143 2.649 20 30 EFEDHM C#CC[N-]C(=S)C(C(=O)c1ccccc1)[n+]1cccc([O-])c1Cl ZINC000759055411 575883720 /nfs/dbraw/zinc/88/37/20/575883720.db2.gz UFYDTPRJDFNCJN-UHFFFAOYSA-O -1 3 345.831 2.767 20 30 EFEDHM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2cccc(F)c2C#N)cn1 ZINC000759125563 575885024 /nfs/dbraw/zinc/88/50/24/575885024.db2.gz OOUKIJVOEMBGAD-UHFFFAOYSA-N -1 3 333.388 2.614 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cccc(Cl)c1F ZINC000759664764 575917508 /nfs/dbraw/zinc/91/75/08/575917508.db2.gz BTYHUPHDMPLZJX-UHFFFAOYSA-N -1 3 340.807 2.975 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc3nccnc3c2)cc1 ZINC000760183451 575987893 /nfs/dbraw/zinc/98/78/93/575987893.db2.gz LOZBDMAWIMEEAE-OAHLLOKOSA-N -1 3 345.362 2.548 20 30 EFEDHM Cc1cc(C=N[N-]S(=O)(=O)CCc2ccccc2)cnc1Cl ZINC000760259098 575996492 /nfs/dbraw/zinc/99/64/92/575996492.db2.gz AQGKJOVRAVROEK-UHFFFAOYSA-N -1 3 337.832 2.539 20 30 EFEDHM C#CCCCCCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000760268225 575997149 /nfs/dbraw/zinc/99/71/49/575997149.db2.gz IOSAKOVDKNAXAN-UHFFFAOYSA-N -1 3 327.377 2.548 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc2nccnc2c1 ZINC000761091051 576112445 /nfs/dbraw/zinc/11/24/45/576112445.db2.gz ADEYMHBCABXRAI-ZDUSSCGKSA-N -1 3 346.346 2.600 20 30 EFEDHM O=C(COC(=O)c1cc(C(F)(F)F)ccc1F)[N-]CC(F)(F)F ZINC000761249140 576135545 /nfs/dbraw/zinc/13/55/45/576135545.db2.gz GVIQFRXTWJQNCS-UHFFFAOYSA-N -1 3 347.186 2.680 20 30 EFEDHM COc1cc(C(=O)/C=C/c2ccc3c(c2)nnn3C)c(OC)cc1[O-] ZINC000763106916 576361821 /nfs/dbraw/zinc/36/18/21/576361821.db2.gz SARYGYAVQBYMRT-FNORWQNLSA-N -1 3 339.351 2.587 20 30 EFEDHM C[C@@H]1CC(=NC(=O)c2cc(-c3ccc(Br)cc3)n[n-]2)NO1 ZINC000763258114 576369920 /nfs/dbraw/zinc/36/99/20/576369920.db2.gz GSLKQLHRDJTUNV-MRVPVSSYSA-N -1 3 349.188 2.691 20 30 EFEDHM Cn1ncc2c1nc(N=NC1C[C@@H]3CCCc4cccc1c43)[n-]c2=O ZINC000763362218 576374229 /nfs/dbraw/zinc/37/42/29/576374229.db2.gz BZDVEDNWYHQWJK-NSHDSACASA-N -1 3 334.383 2.709 20 30 EFEDHM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cccc(OCCN(C)C)c1 ZINC000763370950 576374673 /nfs/dbraw/zinc/37/46/73/576374673.db2.gz VYKDYBYOSGZHOY-UHFFFAOYSA-N -1 3 342.399 2.556 20 30 EFEDHM Cc1nc2ccc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cc2s1 ZINC000763947490 576413032 /nfs/dbraw/zinc/41/30/32/576413032.db2.gz MZYWMJYMPJCPIO-LBPRGKRZSA-N -1 3 336.376 2.961 20 30 EFEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc(F)cc2[n-]nnc21 ZINC000764579963 576474528 /nfs/dbraw/zinc/47/45/28/576474528.db2.gz BOOVJYBQUDPXMX-UHFFFAOYSA-N -1 3 328.278 2.500 20 30 EFEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc(F)cc2nn[n-]c21 ZINC000764579963 576474530 /nfs/dbraw/zinc/47/45/30/576474530.db2.gz BOOVJYBQUDPXMX-UHFFFAOYSA-N -1 3 328.278 2.500 20 30 EFEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000764579963 576474532 /nfs/dbraw/zinc/47/45/32/576474532.db2.gz BOOVJYBQUDPXMX-UHFFFAOYSA-N -1 3 328.278 2.500 20 30 EFEDHM Cc1ccc(Nc2nc(Cl)c(C=N[N-]S(C)(=O)=O)s2)cc1 ZINC000764702239 576490631 /nfs/dbraw/zinc/49/06/31/576490631.db2.gz UVBDYCGTBRCQBY-UHFFFAOYSA-N -1 3 344.849 2.732 20 30 EFEDHM CCCOc1ccc(C(C)=N[N-]S(C)(=O)=O)c(OCCC)c1 ZINC000764702519 576490871 /nfs/dbraw/zinc/49/08/71/576490871.db2.gz YUQCVUHIROKJBD-UHFFFAOYSA-N -1 3 328.434 2.537 20 30 EFEDHM CC(=NNS(=O)(=O)c1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000764721861 576494063 /nfs/dbraw/zinc/49/40/63/576494063.db2.gz KMVZZFUTNDZUDW-UHFFFAOYSA-N -1 3 342.779 2.887 20 30 EFEDHM N#Cc1cc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ncn1 ZINC000764828203 576508925 /nfs/dbraw/zinc/50/89/25/576508925.db2.gz HFWOVUJKXCKILL-AWEZNQCLSA-N -1 3 343.818 2.784 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCO[C@@H](c3ccccc3)C2)c1[O-] ZINC000764888598 576518090 /nfs/dbraw/zinc/51/80/90/576518090.db2.gz NBOCPQFHQNVMGF-JRCOVOATSA-N -1 3 326.396 2.927 20 30 EFEDHM COCCC(=NNc1nc(=O)c2ccccc2[n-]1)C1CCOCC1 ZINC000764908909 576521534 /nfs/dbraw/zinc/52/15/34/576521534.db2.gz QABVDTBJHKKDAQ-UHFFFAOYSA-N -1 3 330.388 2.566 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OCc1ccccc1 ZINC000765183663 577016523 /nfs/dbraw/zinc/01/65/23/577016523.db2.gz KFPHOPRAJDCPGQ-INIZCTEOSA-N -1 3 339.457 2.640 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ncccc1C(F)(F)F ZINC000765573032 577055412 /nfs/dbraw/zinc/05/54/12/577055412.db2.gz WEGMMMBHEMGCSX-UHFFFAOYSA-N -1 3 343.330 2.554 20 30 EFEDHM Cc1cc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)ccc1C#N ZINC000766450319 577151863 /nfs/dbraw/zinc/15/18/63/577151863.db2.gz IANKFPYBRBZWAU-UHFFFAOYSA-N -1 3 349.398 2.913 20 30 EFEDHM COC(=O)c1coc(C(=O)/C=C/c2cc(OC)c([O-])c(OC)c2)c1 ZINC000766501794 577158915 /nfs/dbraw/zinc/15/89/15/577158915.db2.gz IZNRPDOJFXLZBC-SNAWJCMRSA-N -1 3 332.308 2.685 20 30 EFEDHM CCCn1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)nn1 ZINC000766623032 577172080 /nfs/dbraw/zinc/17/20/80/577172080.db2.gz MPMRAJXOMGRKIH-HNNXBMFYSA-N -1 3 347.378 2.802 20 30 EFEDHM C#CCN(CC)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000767684939 577226666 /nfs/dbraw/zinc/22/66/66/577226666.db2.gz RABZKTYPGCCWST-UHFFFAOYSA-N -1 3 338.285 2.522 20 30 EFEDHM COc1ccc(NN=C2C(=O)[N-]c3c2cc(C)cc3F)c([N+](=O)[O-])c1 ZINC000767803433 577234987 /nfs/dbraw/zinc/23/49/87/577234987.db2.gz OZIHXXSFSABNRC-UHFFFAOYSA-N -1 3 344.302 2.819 20 30 EFEDHM CCCCCn1cc(C/N=C/c2c([O-])c(C)ncc2CO)c(C)n1 ZINC000767876986 577239761 /nfs/dbraw/zinc/23/97/61/577239761.db2.gz BGDVZZRYLUCOKA-VXLYETTFSA-N -1 3 330.432 2.902 20 30 EFEDHM N#Cc1ccc(OC2CCC(NC(=O)c3cc([O-])cs3)CC2)nc1 ZINC000768892918 577314903 /nfs/dbraw/zinc/31/49/03/577314903.db2.gz UIPBPACYBSYWOR-UHFFFAOYSA-N -1 3 343.408 2.840 20 30 EFEDHM C#Cc1cccc(NC(=O)CN(C)Cc2ccc(OCC)cc2[O-])c1 ZINC000768916298 577316191 /nfs/dbraw/zinc/31/61/91/577316191.db2.gz YUQUNMPSJWFIDG-UHFFFAOYSA-N -1 3 338.407 2.843 20 30 EFEDHM Cc1cc(C)[n-]c(=NNC(=S)Nc2ccc(C#N)c(Cl)c2)n1 ZINC000726434402 577364753 /nfs/dbraw/zinc/36/47/53/577364753.db2.gz OJHDOYNEMLLOGF-UHFFFAOYSA-N -1 3 332.820 2.932 20 30 EFEDHM C=CCN1C(=O)/C(=C\c2cc(C(=O)OC)ccc2[O-])SC1=S ZINC000726787630 577386373 /nfs/dbraw/zinc/38/63/73/577386373.db2.gz QANVHMQPRJEAKR-XYOKQWHBSA-N -1 3 335.406 2.566 20 30 EFEDHM C=CCc1cc(OC)cc(CN2CCO[C@@H](COC(C)C)C2)c1[O-] ZINC000769806268 577386714 /nfs/dbraw/zinc/38/67/14/577386714.db2.gz WJDOZKAMOXINBK-GOSISDBHSA-N -1 3 335.444 2.755 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(C(=O)OC)ccc1[O-] ZINC000726796755 577386811 /nfs/dbraw/zinc/38/68/11/577386811.db2.gz AILKSUHXWOWMKP-QGZVFWFLSA-N -1 3 338.363 2.931 20 30 EFEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccccc1OC(F)F ZINC000769808377 577386944 /nfs/dbraw/zinc/38/69/44/577386944.db2.gz FKRPPVLRQUWAEM-UHFFFAOYSA-N -1 3 348.313 2.506 20 30 EFEDHM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccc(C#N)cc1 ZINC000769812066 577387234 /nfs/dbraw/zinc/38/72/34/577387234.db2.gz KRAXAAVMMPXTHH-UHFFFAOYSA-N -1 3 349.398 2.995 20 30 EFEDHM N#Cc1ccc(CNN=C2C(=O)[N-]c3c2c(Cl)ccc3F)cc1 ZINC000769815123 577387468 /nfs/dbraw/zinc/38/74/68/577387468.db2.gz NJAHJHIZKLNATH-UHFFFAOYSA-N -1 3 328.734 2.797 20 30 EFEDHM CSc1ccc(C(C)N=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1F ZINC000769819579 577387887 /nfs/dbraw/zinc/38/78/87/577387887.db2.gz NVAIHLWHMXQVKH-UHFFFAOYSA-N -1 3 346.391 2.766 20 30 EFEDHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NNc1ccc(F)c([N+](=O)[O-])c1 ZINC000769828906 577388139 /nfs/dbraw/zinc/38/81/39/577388139.db2.gz KYTSRIZAKCFRGQ-UHFFFAOYSA-N -1 3 332.266 2.950 20 30 EFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000770393821 577415082 /nfs/dbraw/zinc/41/50/82/577415082.db2.gz QYBCRFSMQNSADF-SNVBAGLBSA-N -1 3 334.210 2.668 20 30 EFEDHM COc1cccc([O-])c1/C=N\[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000770569758 581111501 /nfs/dbraw/zinc/11/15/01/581111501.db2.gz YEUDTLLDWHJQTQ-LBUZSKGWSA-N -1 3 346.333 2.903 20 30 EFEDHM Cc1cnc([C@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000770925039 581151750 /nfs/dbraw/zinc/15/17/50/581151750.db2.gz CGKWLWQSMOXZIC-LBPRGKRZSA-N -1 3 329.356 2.809 20 30 EFEDHM CN1CCN(c2ccc(/C=C3\Cc4c(cccc4[O-])C3=O)cc2)CC1 ZINC000771518954 581220204 /nfs/dbraw/zinc/22/02/04/581220204.db2.gz XRVBOWUIKHJLHS-DTQAZKPQSA-N -1 3 334.419 2.966 20 30 EFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccncc2C)C1=O ZINC000771714149 581235328 /nfs/dbraw/zinc/23/53/28/581235328.db2.gz UJGLNOUSERKRRL-SFHVURJKSA-N -1 3 346.431 2.706 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=C1CCSCC1 ZINC000772646046 581351411 /nfs/dbraw/zinc/35/14/11/581351411.db2.gz QDRONWXHYBJPGE-ZDUSSCGKSA-N -1 3 330.409 2.796 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)[C@@H]1CCCO1 ZINC000773047642 581390592 /nfs/dbraw/zinc/39/05/92/581390592.db2.gz DBGYDRANRIGRCG-NEPJUHHUSA-N -1 3 327.471 2.505 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)[C@@H]1CCCO1 ZINC000773047646 581390613 /nfs/dbraw/zinc/39/06/13/581390613.db2.gz DBGYDRANRIGRCG-RYUDHWBXSA-N -1 3 327.471 2.505 20 30 EFEDHM COc1cc(C=NNc2nccnc2C(C)C)c([N+](=O)[O-])cc1[O-] ZINC000773077197 581394427 /nfs/dbraw/zinc/39/44/27/581394427.db2.gz DEPQJEKRRKHOPR-UHFFFAOYSA-N -1 3 331.332 2.668 20 30 EFEDHM C=C(CC)COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000773482805 581435635 /nfs/dbraw/zinc/43/56/35/581435635.db2.gz QHQIWRYVOOKLBU-UHFFFAOYSA-N -1 3 329.393 2.635 20 30 EFEDHM CCOc1ccc2c(c1)[C@@H](/N=C/c1c([O-])c(C)ncc1CO)CCO2 ZINC000773907408 581473204 /nfs/dbraw/zinc/47/32/04/581473204.db2.gz PYUIYARZDCAJNP-GVLJNOETSA-N -1 3 342.395 2.929 20 30 EFEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc(C(F)(F)F)n[n-]1 ZINC000774000595 581477930 /nfs/dbraw/zinc/47/79/30/581477930.db2.gz AAXPMMUSLVACFX-UHFFFAOYSA-N -1 3 327.237 2.832 20 30 EFEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc(C(F)(F)F)[n-]n1 ZINC000774000595 581477931 /nfs/dbraw/zinc/47/79/31/581477931.db2.gz AAXPMMUSLVACFX-UHFFFAOYSA-N -1 3 327.237 2.832 20 30 EFEDHM COC(=O)c1coc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000774136703 581485108 /nfs/dbraw/zinc/48/51/08/581485108.db2.gz RTPBZXBTNYQCRL-PLNGDYQASA-N -1 3 332.308 2.685 20 30 EFEDHM COc1c(Br)cccc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000774373913 581490419 /nfs/dbraw/zinc/49/04/19/581490419.db2.gz BPXILJSQOKNYDM-UHFFFAOYSA-N -1 3 347.176 2.570 20 30 EFEDHM COc1cc(Br)cc(C=NOC2CCOCC2)c1[O-] ZINC000774453221 581491908 /nfs/dbraw/zinc/49/19/08/581491908.db2.gz PFXKHHUSUJRDOY-UHFFFAOYSA-N -1 3 330.178 2.693 20 30 EFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000742299964 581505586 /nfs/dbraw/zinc/50/55/86/581505586.db2.gz YEDHLFDELMDZMX-UHFFFAOYSA-N -1 3 346.239 2.865 20 30 EFEDHM C=CCCCCCN(C)[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000735408641 598865962 /nfs/dbraw/zinc/86/59/62/598865962.db2.gz QHUKTUWWTHTKMI-INIZCTEOSA-N -1 3 343.431 2.759 20 30 EFEDHM C=CCCCCCN(C)[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000735408641 598865963 /nfs/dbraw/zinc/86/59/63/598865963.db2.gz QHUKTUWWTHTKMI-INIZCTEOSA-N -1 3 343.431 2.759 20 30 EFEDHM COc1ccc(OC)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737107715 598890655 /nfs/dbraw/zinc/89/06/55/598890655.db2.gz GBYDDOIZMMDPKA-SOFGYWHQSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737107715 598890657 /nfs/dbraw/zinc/89/06/57/598890657.db2.gz GBYDDOIZMMDPKA-SOFGYWHQSA-N -1 3 336.351 2.780 20 30 EFEDHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CC2)c1 ZINC000737390133 598926807 /nfs/dbraw/zinc/92/68/07/598926807.db2.gz PNZMFFILRPDFKU-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)CC2)c1 ZINC000737390133 598926809 /nfs/dbraw/zinc/92/68/09/598926809.db2.gz PNZMFFILRPDFKU-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM C#CCOc1ccccc1CNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC000735388275 598943653 /nfs/dbraw/zinc/94/36/53/598943653.db2.gz WDSOQDRWDYNJKK-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM C#CCOc1ccccc1CNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC000735388275 598943656 /nfs/dbraw/zinc/94/36/56/598943656.db2.gz WDSOQDRWDYNJKK-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000820833443 607254401 /nfs/dbraw/zinc/25/44/01/607254401.db2.gz XNWGMLQENZYQAR-UHFFFAOYSA-N -1 3 336.399 2.779 20 30 EFEDHM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000820833443 607254402 /nfs/dbraw/zinc/25/44/02/607254402.db2.gz XNWGMLQENZYQAR-UHFFFAOYSA-N -1 3 336.399 2.779 20 30 EFEDHM C=CCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735437345 598963271 /nfs/dbraw/zinc/96/32/71/598963271.db2.gz DZTIUCOPLIIVFA-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735437345 598963273 /nfs/dbraw/zinc/96/32/73/598963273.db2.gz DZTIUCOPLIIVFA-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM N#Cc1ccc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC000822833803 599058001 /nfs/dbraw/zinc/05/80/01/599058001.db2.gz VTHVAECWHCSPJN-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM N#Cc1ccc(Sc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c(F)c1 ZINC000822833803 599058004 /nfs/dbraw/zinc/05/80/04/599058004.db2.gz VTHVAECWHCSPJN-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM N#Cc1cc(NC(=O)C2(c3ccccc3F)CC2)ccc1-c1nnn[n-]1 ZINC000737704049 599191882 /nfs/dbraw/zinc/19/18/82/599191882.db2.gz GSSYIEAWLDQQET-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cc(NC(=O)C2(c3ccccc3F)CC2)ccc1-c1nn[n-]n1 ZINC000737704049 599191885 /nfs/dbraw/zinc/19/18/85/599191885.db2.gz GSSYIEAWLDQQET-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM O=c1[nH]c2ccccc2cc1C=NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823732681 599231822 /nfs/dbraw/zinc/23/18/22/599231822.db2.gz NVYVPSIORGVVAU-JMIUGGIZSA-N -1 3 348.341 2.879 20 30 EFEDHM O=c1[nH]c2ccccc2cc1C=NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823732681 599231824 /nfs/dbraw/zinc/23/18/24/599231824.db2.gz NVYVPSIORGVVAU-JMIUGGIZSA-N -1 3 348.341 2.879 20 30 EFEDHM Cc1c(NC(=O)N[C@H](C)c2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC000822091343 607293265 /nfs/dbraw/zinc/29/32/65/607293265.db2.gz QALJHMWPMNHSQV-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1c(NC(=O)N[C@H](C)c2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC000822091343 607293266 /nfs/dbraw/zinc/29/32/66/607293266.db2.gz QALJHMWPMNHSQV-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736336182 598239313 /nfs/dbraw/zinc/23/93/13/598239313.db2.gz AJRSZUWFLRABFE-UHFFFAOYSA-N -1 3 326.404 2.659 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736336182 598239314 /nfs/dbraw/zinc/23/93/14/598239314.db2.gz AJRSZUWFLRABFE-UHFFFAOYSA-N -1 3 326.404 2.659 20 30 EFEDHM FC(F)Oc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737638074 598315690 /nfs/dbraw/zinc/31/56/90/598315690.db2.gz CHZBOVJMKMGGFV-UHFFFAOYSA-N -1 3 330.298 2.914 20 30 EFEDHM FC(F)Oc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737638074 598315692 /nfs/dbraw/zinc/31/56/92/598315692.db2.gz CHZBOVJMKMGGFV-UHFFFAOYSA-N -1 3 330.298 2.914 20 30 EFEDHM C=C(C)COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735402262 598359857 /nfs/dbraw/zinc/35/98/57/598359857.db2.gz OOQRCMYOUBCCFI-UHFFFAOYSA-N -1 3 340.339 2.772 20 30 EFEDHM C=C(C)COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735402262 598359858 /nfs/dbraw/zinc/35/98/58/598359858.db2.gz OOQRCMYOUBCCFI-UHFFFAOYSA-N -1 3 340.339 2.772 20 30 EFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000735661641 598488159 /nfs/dbraw/zinc/48/81/59/598488159.db2.gz PHSZLLSUGYSZEI-UHFFFAOYSA-N -1 3 349.398 2.742 20 30 EFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000735661641 598488161 /nfs/dbraw/zinc/48/81/61/598488161.db2.gz PHSZLLSUGYSZEI-UHFFFAOYSA-N -1 3 349.398 2.742 20 30 EFEDHM C#Cc1cccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735389399 598608660 /nfs/dbraw/zinc/60/86/60/598608660.db2.gz BIWHXLZBQIGNJP-UHFFFAOYSA-N -1 3 331.379 2.903 20 30 EFEDHM C#Cc1cccc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735389399 598608662 /nfs/dbraw/zinc/60/86/62/598608662.db2.gz BIWHXLZBQIGNJP-UHFFFAOYSA-N -1 3 331.379 2.903 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820461601 599355200 /nfs/dbraw/zinc/35/52/00/599355200.db2.gz NOWSCOVWZHNKBN-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820461601 599355201 /nfs/dbraw/zinc/35/52/01/599355201.db2.gz NOWSCOVWZHNKBN-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM CC(C)CCN(CCC#N)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820076577 607381157 /nfs/dbraw/zinc/38/11/57/607381157.db2.gz NSSYHQGPZOQAEJ-UHFFFAOYSA-N -1 3 329.364 2.541 20 30 EFEDHM CC(C)CCN(CCC#N)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820076577 607381159 /nfs/dbraw/zinc/38/11/59/607381159.db2.gz NSSYHQGPZOQAEJ-UHFFFAOYSA-N -1 3 329.364 2.541 20 30 EFEDHM C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820326817 599506428 /nfs/dbraw/zinc/50/64/28/599506428.db2.gz ACFWHEKXYXMVGN-ZDUSSCGKSA-N -1 3 346.394 2.548 20 30 EFEDHM C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820326817 599506431 /nfs/dbraw/zinc/50/64/31/599506431.db2.gz ACFWHEKXYXMVGN-ZDUSSCGKSA-N -1 3 346.394 2.548 20 30 EFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCNC(=O)[O-] ZINC000737267124 599798346 /nfs/dbraw/zinc/79/83/46/599798346.db2.gz MLLAQCJDQONCHW-AWEZNQCLSA-N -1 3 345.399 2.507 20 30 EFEDHM C=CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000819733875 607404362 /nfs/dbraw/zinc/40/43/62/607404362.db2.gz DJZOKWMZVJCTJZ-OAHLLOKOSA-N -1 3 334.383 2.699 20 30 EFEDHM C=CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000819733875 607404363 /nfs/dbraw/zinc/40/43/63/607404363.db2.gz DJZOKWMZVJCTJZ-OAHLLOKOSA-N -1 3 334.383 2.699 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccccc1C#N ZINC000826253091 607407822 /nfs/dbraw/zinc/40/78/22/607407822.db2.gz FHTFZUBFXGOBJP-CMDGGOBGSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccccc1C#N ZINC000826253091 607407823 /nfs/dbraw/zinc/40/78/23/607407823.db2.gz FHTFZUBFXGOBJP-CMDGGOBGSA-N -1 3 345.362 2.803 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)[O-])c2C)CC1 ZINC000736094952 599994639 /nfs/dbraw/zinc/99/46/39/599994639.db2.gz ATXHXGWRJVTBIH-UHFFFAOYSA-N -1 3 331.416 2.855 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC000736095349 599994632 /nfs/dbraw/zinc/99/46/32/599994632.db2.gz QSRJPXZLLBLLTP-UHFFFAOYSA-N -1 3 335.379 2.686 20 30 EFEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737996530 600562345 /nfs/dbraw/zinc/56/23/45/600562345.db2.gz YRMNIAVXUNINOX-GOSISDBHSA-N -1 3 340.379 2.833 20 30 EFEDHM N#Cc1ccc([C@@H](NCc2cccc(N3CCCC3=O)c2)C(=O)[O-])cc1 ZINC000739106568 600594143 /nfs/dbraw/zinc/59/41/43/600594143.db2.gz NNEAXYAKTCJLSW-LJQANCHMSA-N -1 3 349.390 2.601 20 30 EFEDHM N#Cc1ccc([C@@H](NCc2ccccc2-n2cccn2)C(=O)[O-])cc1 ZINC000739104514 600596499 /nfs/dbraw/zinc/59/64/99/600596499.db2.gz BHYOWKDNSJTJAW-GOSISDBHSA-N -1 3 332.363 2.659 20 30 EFEDHM CCn1nc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000821566520 607459486 /nfs/dbraw/zinc/45/94/86/607459486.db2.gz IEXKWYOSYFJJKW-BQYQJAHWSA-N -1 3 340.362 2.735 20 30 EFEDHM CCn1nc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000821566520 607459487 /nfs/dbraw/zinc/45/94/87/607459487.db2.gz IEXKWYOSYFJJKW-BQYQJAHWSA-N -1 3 340.362 2.735 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833039216 601235790 /nfs/dbraw/zinc/23/57/90/601235790.db2.gz ZTBBFDSRNDTVHU-JHJVBQTASA-N -1 3 325.368 2.641 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000827718115 601297391 /nfs/dbraw/zinc/29/73/91/601297391.db2.gz OWVLVBWJRQGOQT-KPZWWZAWSA-N -1 3 338.363 2.806 20 30 EFEDHM N#Cc1cccc([C@H](NCc2ccccc2Cn2cccn2)C(=O)[O-])c1 ZINC000833075253 601298747 /nfs/dbraw/zinc/29/87/47/601298747.db2.gz JHAARWVBBMKHBK-IBGZPJMESA-N -1 3 346.390 2.719 20 30 EFEDHM N#Cc1cccc([C@@H](NCc2ccccc2Cn2cccn2)C(=O)[O-])c1 ZINC000833075254 601298948 /nfs/dbraw/zinc/29/89/48/601298948.db2.gz JHAARWVBBMKHBK-LJQANCHMSA-N -1 3 346.390 2.719 20 30 EFEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000827717189 601303911 /nfs/dbraw/zinc/30/39/11/601303911.db2.gz FDXVFGVUEZTZGF-BLVKFPJESA-N -1 3 349.390 2.554 20 30 EFEDHM CC(C)[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000736359589 602479381 /nfs/dbraw/zinc/47/93/81/602479381.db2.gz HTMSPKLTCOOQDQ-JOYOIKCWSA-N -1 3 335.360 2.904 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736095062 602679537 /nfs/dbraw/zinc/67/95/37/602679537.db2.gz HDFISXIQZYOTDY-UHFFFAOYSA-N -1 3 332.404 2.939 20 30 EFEDHM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OCC#N ZINC000827022434 604400907 /nfs/dbraw/zinc/40/09/07/604400907.db2.gz WAUHXARQEFPHAS-AWEZNQCLSA-N -1 3 340.807 2.552 20 30 EFEDHM C=CCc1cc(C[N@H+](CCC(=O)[O-])C2CCOCC2)c([O-])c(OC)c1 ZINC000833379387 604500622 /nfs/dbraw/zinc/50/06/22/604500622.db2.gz BNSPOWDRHLHBJG-UHFFFAOYSA-N -1 3 349.427 2.585 20 30 EFEDHM C=CCc1cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c([O-])c(OC)c1 ZINC000833379387 604500626 /nfs/dbraw/zinc/50/06/26/604500626.db2.gz BNSPOWDRHLHBJG-UHFFFAOYSA-N -1 3 349.427 2.585 20 30 EFEDHM N#CCCCOc1cccc(CN2CCSC[C@@H]2CC(=O)[O-])c1 ZINC000833759993 604662395 /nfs/dbraw/zinc/66/23/95/604662395.db2.gz DJSMEVUBWZWTGZ-HNNXBMFYSA-N -1 3 334.441 2.761 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000828587888 605002099 /nfs/dbraw/zinc/00/20/99/605002099.db2.gz YJURUFIXXQPNDD-NVXWUHKLSA-N -1 3 325.368 2.678 20 30 EFEDHM C[C@@]1(NCc2nnc(-c3ccc(C#N)cc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833570324 605067665 /nfs/dbraw/zinc/06/76/65/605067665.db2.gz RBILHTNLELDMOV-RDTXWAMCSA-N -1 3 340.383 2.731 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000819758736 606272413 /nfs/dbraw/zinc/27/24/13/606272413.db2.gz GNEFHKRKLULAFL-UHFFFAOYSA-N -1 3 339.330 2.823 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000819758736 606272415 /nfs/dbraw/zinc/27/24/15/606272415.db2.gz GNEFHKRKLULAFL-UHFFFAOYSA-N -1 3 339.330 2.823 20 30 EFEDHM C#CCOc1cc(F)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819710155 606461936 /nfs/dbraw/zinc/46/19/36/606461936.db2.gz XVSJFMAZNGZFBA-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM C#CCOc1cc(F)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819710155 606461938 /nfs/dbraw/zinc/46/19/38/606461938.db2.gz XVSJFMAZNGZFBA-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000822829634 606491086 /nfs/dbraw/zinc/49/10/86/606491086.db2.gz BDDJJEMGTCTVNM-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000822829634 606491087 /nfs/dbraw/zinc/49/10/87/606491087.db2.gz BDDJJEMGTCTVNM-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1NCC#Cc1ccc(Cl)cc1 ZINC000821766610 606638774 /nfs/dbraw/zinc/63/87/74/606638774.db2.gz ZKXMLFQNZYKOPC-UHFFFAOYSA-N -1 3 339.786 2.992 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1NCC#Cc1ccc(Cl)cc1 ZINC000821766610 606638775 /nfs/dbraw/zinc/63/87/75/606638775.db2.gz ZKXMLFQNZYKOPC-UHFFFAOYSA-N -1 3 339.786 2.992 20 30 EFEDHM N#Cc1cc(Br)ccc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000822819133 607046448 /nfs/dbraw/zinc/04/64/48/607046448.db2.gz LPNYLDNQOBQPCW-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1cc(Br)ccc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC000822819133 607046449 /nfs/dbraw/zinc/04/64/49/607046449.db2.gz LPNYLDNQOBQPCW-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM O=C(C=Cc1cccc(-n2cccn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822928520 607148880 /nfs/dbraw/zinc/14/88/80/607148880.db2.gz IYRNILIAWWIHSL-CMDGGOBGSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cccc(-n2cccn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822928520 607148881 /nfs/dbraw/zinc/14/88/81/607148881.db2.gz IYRNILIAWWIHSL-CMDGGOBGSA-N -1 3 342.362 2.949 20 30 EFEDHM N#Cc1c(F)cccc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826383389 607863964 /nfs/dbraw/zinc/86/39/64/607863964.db2.gz YIBAXWNZTJRBKJ-UHFFFAOYSA-N -1 3 334.314 2.709 20 30 EFEDHM N#Cc1c(F)cccc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826383389 607863965 /nfs/dbraw/zinc/86/39/65/607863965.db2.gz YIBAXWNZTJRBKJ-UHFFFAOYSA-N -1 3 334.314 2.709 20 30 EFEDHM C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823873300 607924036 /nfs/dbraw/zinc/92/40/36/607924036.db2.gz KYITYHOQEKAPRH-SWLSCSKDSA-N -1 3 330.388 2.842 20 30 EFEDHM C=C(C)[C@@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873300 607924037 /nfs/dbraw/zinc/92/40/37/607924037.db2.gz KYITYHOQEKAPRH-SWLSCSKDSA-N -1 3 330.388 2.842 20 30 EFEDHM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826365572 608048245 /nfs/dbraw/zinc/04/82/45/608048245.db2.gz SVQXGVHPMZYOKA-YCRREMRBSA-N -1 3 330.351 2.650 20 30 EFEDHM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826365572 608048246 /nfs/dbraw/zinc/04/82/46/608048246.db2.gz SVQXGVHPMZYOKA-YCRREMRBSA-N -1 3 330.351 2.650 20 30 EFEDHM CCN(CCC#N)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825419662 608180331 /nfs/dbraw/zinc/18/03/31/608180331.db2.gz QQPJBAAIFNDQQK-UHFFFAOYSA-N -1 3 346.394 2.909 20 30 EFEDHM CCN(CCC#N)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825419662 608180332 /nfs/dbraw/zinc/18/03/32/608180332.db2.gz QQPJBAAIFNDQQK-UHFFFAOYSA-N -1 3 346.394 2.909 20 30 EFEDHM FC(F)(F)c1cccnc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826368780 608229594 /nfs/dbraw/zinc/22/95/94/608229594.db2.gz AWPLAHCHIGUCKY-UHFFFAOYSA-N -1 3 333.277 2.727 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826387489 608440025 /nfs/dbraw/zinc/44/00/25/608440025.db2.gz XRDUBRXOCFWOOI-HJWRWDBZSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826387489 608440027 /nfs/dbraw/zinc/44/00/27/608440027.db2.gz XRDUBRXOCFWOOI-HJWRWDBZSA-N -1 3 349.325 2.634 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826257048 608453808 /nfs/dbraw/zinc/45/38/08/608453808.db2.gz LNLOEBSWGDKPHJ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826257048 608453810 /nfs/dbraw/zinc/45/38/10/608453810.db2.gz LNLOEBSWGDKPHJ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM COc1ccc2c(c1)OC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826213504 608879544 /nfs/dbraw/zinc/87/95/44/608879544.db2.gz ZBQMOQBLBWAVNU-CHHVJCJISA-N -1 3 338.298 2.631 20 30 EFEDHM COc1ccc2c(c1)OC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826213504 608879545 /nfs/dbraw/zinc/87/95/45/608879545.db2.gz ZBQMOQBLBWAVNU-CHHVJCJISA-N -1 3 338.298 2.631 20 30 EFEDHM CC(=NNCCc1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953550 609160387 /nfs/dbraw/zinc/16/03/87/609160387.db2.gz GEAQLWVISZNKPI-UHFFFAOYSA-N -1 3 342.353 2.701 20 30 EFEDHM CC(=NNCCc1ccccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953550 609160388 /nfs/dbraw/zinc/16/03/88/609160388.db2.gz GEAQLWVISZNKPI-UHFFFAOYSA-N -1 3 342.353 2.701 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826278524 609180547 /nfs/dbraw/zinc/18/05/47/609180547.db2.gz HHXGJPBWLDTEAL-UHFFFAOYSA-N -1 3 344.378 2.983 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000826278524 609180549 /nfs/dbraw/zinc/18/05/49/609180549.db2.gz HHXGJPBWLDTEAL-UHFFFAOYSA-N -1 3 344.378 2.983 20 30 EFEDHM N#C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000826379810 609301208 /nfs/dbraw/zinc/30/12/08/609301208.db2.gz CGUSBWWRIIDZDA-CQSZACIVSA-N -1 3 344.806 2.722 20 30 EFEDHM N#C[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000826379810 609301209 /nfs/dbraw/zinc/30/12/09/609301209.db2.gz CGUSBWWRIIDZDA-CQSZACIVSA-N -1 3 344.806 2.722 20 30 EFEDHM N#CCc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000826382669 609502991 /nfs/dbraw/zinc/50/29/91/609502991.db2.gz PPZMDGABWWICCR-UHFFFAOYSA-N -1 3 341.378 2.845 20 30 EFEDHM N#CCc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000826382669 609502994 /nfs/dbraw/zinc/50/29/94/609502994.db2.gz PPZMDGABWWICCR-UHFFFAOYSA-N -1 3 341.378 2.845 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826210638 609507153 /nfs/dbraw/zinc/50/71/53/609507153.db2.gz YXZMBAGKCPGAGU-XQRVVYSFSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826210638 609507155 /nfs/dbraw/zinc/50/71/55/609507155.db2.gz YXZMBAGKCPGAGU-XQRVVYSFSA-N -1 3 340.314 2.616 20 30 EFEDHM C#CCCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000823840884 609507765 /nfs/dbraw/zinc/50/77/65/609507765.db2.gz GGDYSGBBXLBENC-UHFFFAOYSA-N -1 3 329.429 2.939 20 30 EFEDHM C#CCCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000823840884 609507767 /nfs/dbraw/zinc/50/77/67/609507767.db2.gz GGDYSGBBXLBENC-UHFFFAOYSA-N -1 3 329.429 2.939 20 30 EFEDHM Cc1ccnc(N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826309977 609563878 /nfs/dbraw/zinc/56/38/78/609563878.db2.gz HZJPVDRIYWBSAY-CVEARBPZSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1ccnc(N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1-c1nn[n-]n1 ZINC000826309977 609563880 /nfs/dbraw/zinc/56/38/80/609563880.db2.gz HZJPVDRIYWBSAY-CVEARBPZSA-N -1 3 345.410 2.846 20 30 EFEDHM CC(C)(C)OC(=O)[C@@H](C([O-])=C(C#N)c1ccncn1)C1CCCC1 ZINC000850948659 1250705134 /nfs/dbraw/zinc/70/51/34/1250705134.db2.gz VPUWVBMFOFQWGU-DZGCQCFKSA-N -1 3 329.400 2.801 20 30 EFEDHM C[C@]1(CNc2ccc(C#N)nc2)CCN(C(=O)c2ccccc2[O-])C1 ZINC001065389591 1265655254 /nfs/dbraw/zinc/65/52/54/1265655254.db2.gz HFNSJYCTKDDIMV-LJQANCHMSA-N -1 3 336.395 2.623 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N(CC)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001106911568 1252565812 /nfs/dbraw/zinc/56/58/12/1252565812.db2.gz DHSPMHLKXZESNN-UHFFFAOYSA-N -1 3 336.392 2.558 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000945655451 1253701693 /nfs/dbraw/zinc/70/16/93/1253701693.db2.gz XPTIPQMDBWSHHS-HUUCEWRRSA-N -1 3 344.455 2.961 20 30 EFEDHM C=CCC(CC=C)C(=O)NC/C=C/CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001107354291 1255652555 /nfs/dbraw/zinc/65/25/55/1255652555.db2.gz ADUNARVXUAJBMM-AATRIKPKSA-N -1 3 346.387 2.548 20 30 EFEDHM N#Cc1ccc(NCC2(CCNC(=O)c3ccccc3[O-])CC2)cn1 ZINC001089897171 1256378545 /nfs/dbraw/zinc/37/85/45/1256378545.db2.gz LKKNQKIOSRIURK-UHFFFAOYSA-N -1 3 336.395 2.671 20 30 EFEDHM CCCCCCCN1CCO[C@@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001107889806 1257082033 /nfs/dbraw/zinc/08/20/33/1257082033.db2.gz DPTPGJGSYPHRRQ-IBGZPJMESA-N -1 3 349.475 2.578 20 30 EFEDHM C=CCOC[C@@H](NCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000901811938 1257155721 /nfs/dbraw/zinc/15/57/21/1257155721.db2.gz XDJWHYOWEOAWOI-LLVKDONJSA-N -1 3 335.734 2.687 20 30 EFEDHM Cc1ccc(C#N)c(NC[C@H]2CCN(C(=O)c3ccccc3[O-])C2)n1 ZINC001060810715 1257160764 /nfs/dbraw/zinc/16/07/64/1257160764.db2.gz FSIVFUYEGLPSOC-CQSZACIVSA-N -1 3 336.395 2.542 20 30 EFEDHM C#CCN1CC2(CCC1=O)CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001272781992 1258015800 /nfs/dbraw/zinc/01/58/00/1258015800.db2.gz JIMAEWKVYDEWSM-UHFFFAOYSA-N -1 3 348.393 2.508 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CCC[C@@H]2CNC(=O)c2ccccc2[O-])C1 ZINC000946305216 1258303773 /nfs/dbraw/zinc/30/37/73/1258303773.db2.gz UWGYSAQFHOQELN-ZBFHGGJFSA-N -1 3 342.439 2.763 20 30 EFEDHM CC#CCCCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065865564 1266243558 /nfs/dbraw/zinc/24/35/58/1266243558.db2.gz WDROBWUSXOOIDE-INIZCTEOSA-N -1 3 342.439 2.697 20 30 EFEDHM C=CCCCC(=O)N1CC2(C1)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001061109184 1263699129 /nfs/dbraw/zinc/69/91/29/1263699129.db2.gz ZPWOJPKNXRVHNZ-UHFFFAOYSA-N -1 3 342.439 2.813 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCN(c3ccc(F)cc3F)C2)c1[O-] ZINC000730146664 1264214223 /nfs/dbraw/zinc/21/42/23/1264214223.db2.gz CXOZHTVWAYJRMW-VKDBZVEWSA-N -1 3 347.365 2.564 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1 ZINC000730996023 1264509201 /nfs/dbraw/zinc/50/92/01/1264509201.db2.gz HYIFAZSIODHRNO-CYBMUJFWSA-N -1 3 343.404 2.823 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2C=CCCC2)ccc1F ZINC000733437921 1265229787 /nfs/dbraw/zinc/22/97/87/1265229787.db2.gz PEHOQVMNVKMDLA-CYBMUJFWSA-N -1 3 339.388 2.556 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCCCCF)ccc1F ZINC000791691713 1278273258 /nfs/dbraw/zinc/27/32/58/1278273258.db2.gz UZGOBGSCQJCAPE-UHFFFAOYSA-N -1 3 347.383 2.587 20 30 EFEDHM COc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)cn1 ZINC000734080645 1266865773 /nfs/dbraw/zinc/86/57/73/1266865773.db2.gz YMKYFLUNPIWYPY-HNNXBMFYSA-N -1 3 346.346 2.600 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2cccc(OC(C)C)c2)c1[O-] ZINC000734978953 1267177995 /nfs/dbraw/zinc/17/79/95/1267177995.db2.gz GIHBKVGEFRKRBF-VTTDFXIBSA-N -1 3 344.411 2.528 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC001004549789 1267276554 /nfs/dbraw/zinc/27/65/54/1267276554.db2.gz BETAXEBXCBGLCA-ZBFHGGJFSA-N -1 3 342.439 2.715 20 30 EFEDHM COc1cc(/C=C\C(=O)c2nccn2C)cc(Br)c1[O-] ZINC000735792908 1267425715 /nfs/dbraw/zinc/42/57/15/1267425715.db2.gz NYJHMIHMAXGZAQ-ARJAWSKDSA-N -1 3 337.173 2.793 20 30 EFEDHM COc1cc(C)ccc1C(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448455 1270584242 /nfs/dbraw/zinc/58/42/42/1270584242.db2.gz POEMWTWJVSYRAZ-UHFFFAOYSA-N -1 3 346.452 2.890 20 30 EFEDHM CCO[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)C12CCCC2 ZINC000743435752 1270588955 /nfs/dbraw/zinc/58/89/55/1270588955.db2.gz MEWPBAUHHHHLIR-INIZCTEOSA-N -1 3 336.457 2.831 20 30 EFEDHM COc1ccccc1C(C)(C)C/N=C\c1c([O-])c(C)ncc1CO ZINC000745020108 1271274347 /nfs/dbraw/zinc/27/43/47/1271274347.db2.gz BSCHDYAHWYWOTH-JMIUGGIZSA-N -1 3 328.412 2.993 20 30 EFEDHM COc1cc(CN=Nc2oc(C(C)C)nc2C#N)c([N+](=O)[O-])cc1[O-] ZINC000745611745 1271540060 /nfs/dbraw/zinc/54/00/60/1271540060.db2.gz GPMRPFLBYHJNKQ-UHFFFAOYSA-N -1 3 345.315 2.738 20 30 EFEDHM C[C@@H](CN(C)c1cccc(F)c1C#N)NC(=O)c1ccccc1[O-] ZINC001108867526 1273568338 /nfs/dbraw/zinc/56/83/38/1273568338.db2.gz SYMFROQTDRTDLN-LBPRGKRZSA-N -1 3 327.359 2.658 20 30 EFEDHM Cc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000746492700 1273970345 /nfs/dbraw/zinc/97/03/45/1273970345.db2.gz VSPSOFSNQZEWKR-UHFFFAOYSA-N -1 3 347.396 2.665 20 30 EFEDHM CCOC(=O)c1nc(=NCc2ccc(C#N)s2)c2sccc2[n-]1 ZINC001170200468 1278906619 /nfs/dbraw/zinc/90/66/19/1278906619.db2.gz PZKLJWWMCYTIJT-UHFFFAOYSA-N -1 3 344.421 2.835 20 30 EFEDHM N#Cc1c(Cl)nsc1NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001110075810 1275095592 /nfs/dbraw/zinc/09/55/92/1275095592.db2.gz OSLAHQVLKZZQKD-UHFFFAOYSA-N -1 3 348.815 2.748 20 30 EFEDHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000786029915 1275279823 /nfs/dbraw/zinc/27/98/23/1275279823.db2.gz RPTBEZOGTFHNHC-NSHDSACASA-N -1 3 329.356 2.649 20 30 EFEDHM CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786131229 1275319891 /nfs/dbraw/zinc/31/98/91/1275319891.db2.gz NNYFNMYJEGQQMW-KRWDZBQOSA-N -1 3 346.408 2.818 20 30 EFEDHM O=c1nc(C=N[O-])ccn1Cc1ccc(Br)c(Cl)c1 ZINC000786740945 1275501223 /nfs/dbraw/zinc/50/12/23/1275501223.db2.gz GSZBKKQRUHQYSE-UHFFFAOYSA-N -1 3 342.580 2.516 20 30 EFEDHM CC#CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000788269642 1276122645 /nfs/dbraw/zinc/12/26/45/1276122645.db2.gz DMOHBPQVINMQBQ-UHFFFAOYSA-N -1 3 328.393 2.758 20 30 EFEDHM NC(=O)[C@H]1CC[C@H](C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000817707789 1276269339 /nfs/dbraw/zinc/26/93/39/1276269339.db2.gz NLPOFRSHQRZSFN-VVNJDWCZSA-N -1 3 339.233 2.865 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062569013 1276271586 /nfs/dbraw/zinc/27/15/86/1276271586.db2.gz DBCNEYMGEIHTHK-CQSZACIVSA-N -1 3 330.428 2.763 20 30 EFEDHM COCC1(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1 ZINC000817747371 1276301278 /nfs/dbraw/zinc/30/12/78/1276301278.db2.gz WCFMVJYROMBHLJ-UHFFFAOYSA-N -1 3 346.427 2.958 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(CC(F)F)n3)nc21 ZINC000789430626 1276710443 /nfs/dbraw/zinc/71/04/43/1276710443.db2.gz LZAKDBKCTSIUFX-SNVBAGLBSA-N -1 3 329.310 2.823 20 30 EFEDHM O=C(CCCc1csc2ccccc12)N[C@H]1CCCN([O-])C1=O ZINC000820471590 1277186039 /nfs/dbraw/zinc/18/60/39/1277186039.db2.gz ZZZMQPREXNOLHX-AWEZNQCLSA-N -1 3 332.425 2.720 20 30 EFEDHM C[C@@H](CNC(=O)c1ccccc1[O-])N(C)c1cccc(F)c1C#N ZINC001113496046 1277960359 /nfs/dbraw/zinc/96/03/59/1277960359.db2.gz FPVKHTFYGPXVOT-LBPRGKRZSA-N -1 3 327.359 2.658 20 30 EFEDHM CC[C@H](NN=C(C)c1ccc(OC)c(CN2CCCCC2)c1)C(=O)[O-] ZINC000793078839 1279359247 /nfs/dbraw/zinc/35/92/47/1279359247.db2.gz OVVSCSTVIWITLR-KRWDZBQOSA-N -1 3 347.459 2.858 20 30 EFEDHM CC[C@@H](NN=C(C)c1ccc(OC)c(CN2CCCCC2)c1)C(=O)[O-] ZINC000793078842 1279360102 /nfs/dbraw/zinc/36/01/02/1279360102.db2.gz OVVSCSTVIWITLR-QGZVFWFLSA-N -1 3 347.459 2.858 20 30 EFEDHM C=CCN1CC[C@]2(CCCN(Cc3c(F)cc([O-])cc3F)C2)C1=O ZINC001144550258 1279814724 /nfs/dbraw/zinc/81/47/24/1279814724.db2.gz GCPMZBVTYGFAJW-SFHVURJKSA-N -1 3 336.382 2.671 20 30 EFEDHM [NH2+]=C(NC([O-])=Cc1ccc([O-])c(F)c1)c1ccc2cc(O)ccc2c1 ZINC001144633393 1279940585 /nfs/dbraw/zinc/94/05/85/1279940585.db2.gz SQJLDUDBUOKEEX-UHFFFAOYSA-N -1 3 338.338 2.865 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1CN([C@@H](C)C(C)C)C2 ZINC000846156871 1280041035 /nfs/dbraw/zinc/04/10/35/1280041035.db2.gz ZABFIVPKROAWGP-KBPBESRZSA-N -1 3 345.443 2.608 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000846543042 1280237443 /nfs/dbraw/zinc/23/74/43/1280237443.db2.gz FVMMMRKWKMNFLP-GFCCVEGCSA-N -1 3 331.372 2.690 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)CCCCCNC(=O)NC1CCCCC1 ZINC000846543947 1280238920 /nfs/dbraw/zinc/23/89/20/1280238920.db2.gz DETCUFMFQSLLAW-CQSZACIVSA-N -1 3 325.453 2.801 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000846551176 1280245924 /nfs/dbraw/zinc/24/59/24/1280245924.db2.gz SYWDNNXFIXKCEH-GJZGRUSLSA-N -1 3 331.416 2.861 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000846552911 1280247118 /nfs/dbraw/zinc/24/71/18/1280247118.db2.gz SLXGSNTZMBAYFH-NSHDSACASA-N -1 3 331.821 2.516 20 30 EFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000846540022 1280254767 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COc1ccc(C=NN[C@@H]2CCSC2)c(Br)c1[O-] ZINC000808003216 1281491413 /nfs/dbraw/zinc/49/14/13/1281491413.db2.gz UVIGBIYQXXGAAH-SECBINFHSA-N -1 3 331.235 2.592 20 30 EFEDHM COC(=O)c1cc(C#N)cc(NC(=O)c2ccc([O-])c(C(C)=O)c2)c1 ZINC001148663700 1281720372 /nfs/dbraw/zinc/72/03/72/1281720372.db2.gz CEDASZQWWRWWSP-UHFFFAOYSA-N -1 3 338.319 2.505 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(-c2ccc3ccccc3c2)nn1 ZINC001171363234 1282065683 /nfs/dbraw/zinc/06/56/83/1282065683.db2.gz VBRJFEYPZZOJFQ-SGTLLEGYSA-N -1 3 334.379 2.945 20 30 EFEDHM C=CCCCCCCCNC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000810769827 1283621050 /nfs/dbraw/zinc/62/10/50/1283621050.db2.gz KTAHWBQUHPDCRH-UHFFFAOYSA-N -1 3 342.461 2.753 20 30 EFEDHM COc1cc(C)nc([N-]N=C(C)c2c(Cl)nc3sccn32)n1 ZINC000747634922 1283670226 /nfs/dbraw/zinc/67/02/26/1283670226.db2.gz CSVZNZOTMTZYGR-UHFFFAOYSA-N -1 3 336.808 2.992 20 30 EFEDHM CCOc1cc(CN=Nc2nc(C)cc(OC)n2)cc(Cl)c1[O-] ZINC000747633118 1283688724 /nfs/dbraw/zinc/68/87/24/1283688724.db2.gz 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N=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc2ccccc2n1 ZINC001171051125 1289579629 /nfs/dbraw/zinc/57/96/29/1289579629.db2.gz GQHPASUZUWOULU-UHFFFAOYSA-N -1 3 333.330 2.591 20 30 EFEDHM CC(C)(C)OC(=O)N1CCS[C@@H]1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001180737403 1289612942 /nfs/dbraw/zinc/61/29/42/1289612942.db2.gz OGHUSNJZEXJHGT-CQSZACIVSA-N -1 3 349.412 2.512 20 30 EFEDHM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc([O-])c(C#N)c2)CC1=O ZINC001181268752 1289760275 /nfs/dbraw/zinc/76/02/75/1289760275.db2.gz NXWSVMKWUBGKGP-BBRMVZONSA-N -1 3 349.390 2.812 20 30 EFEDHM N#Cc1cc(NC(=O)C2CN(c3ccc(Cl)cc3)C2)ccc1[O-] ZINC001181538119 1289836424 /nfs/dbraw/zinc/83/64/24/1289836424.db2.gz XNWSKVQGOCPDDI-UHFFFAOYSA-N -1 3 327.771 2.992 20 30 EFEDHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2cc(C#N)ccc2[O-])C1 ZINC001232678773 1312759937 /nfs/dbraw/zinc/75/99/37/1312759937.db2.gz PFJJRDHTKBCEQU-BBRMVZONSA-N -1 3 345.443 2.999 20 30 EFEDHM C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)Nc2ncccc2[O-])C1 ZINC001183616454 1290379227 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C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1cccc([O-])c1F ZINC001233052616 1312844305 /nfs/dbraw/zinc/84/43/05/1312844305.db2.gz QQUBEPUBWKJHNH-HNNXBMFYSA-N -1 3 331.391 2.567 20 30 EFEDHM N#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC001188087636 1291309348 /nfs/dbraw/zinc/30/93/48/1291309348.db2.gz NJEDFSCBHPXVII-KYZUINATSA-N -1 3 334.228 2.749 20 30 EFEDHM O=C(Nc1ccccc1OC1CCCC1)N[C@H]1CCCN([O-])C1=O ZINC000878313158 1291621784 /nfs/dbraw/zinc/62/17/84/1291621784.db2.gz WKVXMWIGVVZTAP-AWEZNQCLSA-N -1 3 333.388 2.510 20 30 EFEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)c(F)c1)c1ccc(F)cc1 ZINC001189329479 1291679901 /nfs/dbraw/zinc/67/99/01/1291679901.db2.gz KTIDKPIONSRGOI-OAHLLOKOSA-N -1 3 340.326 2.788 20 30 EFEDHM COC(=O)c1ccc(C(=O)N([O-])C(=N)c2ccccc2N)cc1Cl ZINC001189616262 1291785951 /nfs/dbraw/zinc/78/59/51/1291785951.db2.gz DKPLTXHDSMXEML-UHFFFAOYSA-N -1 3 347.758 2.566 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1C#N ZINC001189827320 1291886238 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C=CCCC[C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000867059515 1292135264 /nfs/dbraw/zinc/13/52/64/1292135264.db2.gz WKQOGNJIKDVOAH-QKVFXAPYSA-N -1 3 348.465 2.862 20 30 EFEDHM C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233334118 1312906627 /nfs/dbraw/zinc/90/66/27/1312906627.db2.gz VKUOJGYJUIJGPV-FZKQIMNGSA-N -1 3 339.382 2.997 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)nc(F)c2Cl)c1 ZINC001190617815 1292229331 /nfs/dbraw/zinc/22/93/31/1292229331.db2.gz QYKWHAVMBUFVER-UHFFFAOYSA-N -1 3 347.705 2.825 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCCc2ccc(F)cc2)c1 ZINC001190661171 1292250069 /nfs/dbraw/zinc/25/00/69/1292250069.db2.gz MRWZRGGCVHDDGZ-UHFFFAOYSA-N -1 3 336.363 2.748 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c1 ZINC001190660703 1292250263 /nfs/dbraw/zinc/25/02/63/1292250263.db2.gz CKQFPVXELWGABZ-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c1 ZINC001190666101 1292252006 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20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2cncc(F)c2)C2CC2)c1 ZINC001190678017 1292282655 /nfs/dbraw/zinc/28/26/55/1292282655.db2.gz XZDBIBZUWKZIHO-MRXNPFEDSA-N -1 3 349.362 2.661 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccc(Cl)s2)c1 ZINC001190682269 1292283697 /nfs/dbraw/zinc/28/36/97/1292283697.db2.gz ZQBANUBNBGWPCP-UHFFFAOYSA-N -1 3 344.820 2.933 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cnc3c(C4CCC4)cnn3c2)CC1 ZINC001190776891 1292309050 /nfs/dbraw/zinc/30/90/50/1292309050.db2.gz QEKBDNJYTSRRJX-UHFFFAOYSA-N -1 3 332.429 2.847 20 30 EFEDHM COC(CN(Cc1ccccc1)Cc1ccc(C#N)cc1[O-])OC ZINC001233383296 1312917437 /nfs/dbraw/zinc/91/74/37/1312917437.db2.gz CWKWAXAHHUTSTR-UHFFFAOYSA-N -1 3 326.396 2.885 20 30 EFEDHM CC(C)(C)OC(=O)N1CCCN(Cc2ccc(C#N)cc2[O-])CC1 ZINC001233384411 1312919157 /nfs/dbraw/zinc/91/91/57/1312919157.db2.gz UXVBSVAEYZYHPZ-UHFFFAOYSA-N -1 3 331.416 2.707 20 30 EFEDHM CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1ccc(C#N)cc1[O-] ZINC001233384344 1312919305 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Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000796235353 1292514130 /nfs/dbraw/zinc/51/41/30/1292514130.db2.gz HSJRMGJQLHJIBU-UHFFFAOYSA-N -1 3 337.376 2.516 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)cnc1C#N ZINC001191872081 1292703529 /nfs/dbraw/zinc/70/35/29/1292703529.db2.gz AHYDNBSXDQVKPD-UHFFFAOYSA-N -1 3 339.779 2.996 20 30 EFEDHM N#CC=C([O-])c1ccccc1O[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC001233531990 1312951588 /nfs/dbraw/zinc/95/15/88/1312951588.db2.gz ZPNALLIFTVYZEN-GFCCVEGCSA-N -1 3 342.786 2.884 20 30 EFEDHM Cc1cccc2c1ncc(C#N)c2NCc1nc(C(F)(F)F)n[n-]1 ZINC000775540847 1292964663 /nfs/dbraw/zinc/96/46/63/1292964663.db2.gz OOASZGYIYUYQCW-UHFFFAOYSA-N -1 3 332.289 2.586 20 30 EFEDHM CCOP(=O)(Cc1ccc([N-]S(=O)(=O)CC#N)cc1)OCC ZINC001192982060 1293116144 /nfs/dbraw/zinc/11/61/44/1293116144.db2.gz DIVYWNUDWXLGDT-UHFFFAOYSA-N -1 3 346.345 2.718 20 30 EFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC001193106574 1293171550 /nfs/dbraw/zinc/17/15/50/1293171550.db2.gz SJENECVFINFAAK-ZDUSSCGKSA-N -1 3 346.456 2.883 20 30 EFEDHM COc1cc([N-]S(=O)(=O)[C@H](C)C#N)ccc1OCc1ccccc1 ZINC001193149079 1293186020 /nfs/dbraw/zinc/18/60/20/1293186020.db2.gz KIYFRIIPRBBHQG-CYBMUJFWSA-N -1 3 346.408 2.928 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)[C@@H](C)C#N)ccc1NC(=O)OC(C)(C)C ZINC001193158340 1293188685 /nfs/dbraw/zinc/18/86/85/1293188685.db2.gz OESLVGJEJNTYTP-NSHDSACASA-N -1 3 339.417 2.996 20 30 EFEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(Br)c(=O)[n-]1 ZINC001193161398 1293190385 /nfs/dbraw/zinc/19/03/85/1293190385.db2.gz MSXQGGUBGWNHDE-ZDUSSCGKSA-N -1 3 326.194 2.608 20 30 EFEDHM Cn1ncc(C(=O)[N-]c2c(C#N)ccc(F)c2F)c1C(F)(F)F ZINC001193676676 1293406403 /nfs/dbraw/zinc/40/64/03/1293406403.db2.gz LXDPGLBXTKUTNN-UHFFFAOYSA-N -1 3 330.216 2.841 20 30 EFEDHM C=C[C@@H]1C[C@@]1(NC(=O)c1ccc([O-])cc1C(F)(F)F)C(=O)OCC ZINC001193758079 1293438407 /nfs/dbraw/zinc/43/84/07/1293438407.db2.gz KUTWBDRINAHPNK-PSLIRLAXSA-N -1 3 343.301 2.649 20 30 EFEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1ccccc1 ZINC001194044949 1293511654 /nfs/dbraw/zinc/51/16/54/1293511654.db2.gz UKBXQKIDSKOSRB-CQSZACIVSA-N -1 3 327.365 2.512 20 30 EFEDHM C#CCN1CC[C@]2(CCCN(Cc3c(F)cc([O-])cc3F)CC2)C1=O ZINC001273671392 1293539990 /nfs/dbraw/zinc/53/99/90/1293539990.db2.gz DXGPRMULMDGBPK-LJQANCHMSA-N -1 3 348.393 2.508 20 30 EFEDHM C#CCN1CC[C@@]2(CCCN(Cc3cc(F)c([O-])cc3F)CC2)C1=O ZINC001273676965 1293620875 /nfs/dbraw/zinc/62/08/75/1293620875.db2.gz DNGQYIOLJUOYPB-IBGZPJMESA-N -1 3 348.393 2.508 20 30 EFEDHM COc1cc(C(=O)OCCCC2(C#N)CCOCC2)cc(OC)c1[O-] ZINC000800188796 1293948938 /nfs/dbraw/zinc/94/89/38/1293948938.db2.gz TYBBBXKGBYPPHM-UHFFFAOYSA-N -1 3 349.383 2.667 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c([O-])c1 ZINC001195764909 1294018527 /nfs/dbraw/zinc/01/85/27/1294018527.db2.gz TXVVYCVRJDNURF-GOSISDBHSA-N -1 3 335.407 2.831 20 30 EFEDHM N#Cc1cccc(C2CCN(S(=O)(=O)c3ccc([O-])cc3)CC2)c1 ZINC001195784760 1294033122 /nfs/dbraw/zinc/03/31/22/1294033122.db2.gz UVUIBXAMWPHYPB-UHFFFAOYSA-N -1 3 342.420 2.832 20 30 EFEDHM C=CCOc1ccccc1[C@H](C)NS(=O)(=O)c1ccc([O-])cc1 ZINC001195828292 1294053252 /nfs/dbraw/zinc/05/32/52/1294053252.db2.gz FIEUOLBFIMFNLV-ZDUSSCGKSA-N -1 3 333.409 2.997 20 30 EFEDHM COc1ncc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1Br ZINC001195838684 1294056304 /nfs/dbraw/zinc/05/63/04/1294056304.db2.gz AMIFRVXQRKNSFW-UHFFFAOYSA-N -1 3 348.156 2.682 20 30 EFEDHM C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C(=O)[O-])s1 ZINC001273718630 1294204645 /nfs/dbraw/zinc/20/46/45/1294204645.db2.gz HAZLCAGLGPYIBN-QGZVFWFLSA-N -1 3 334.441 2.589 20 30 EFEDHM CN(CCCNC(=O)c1ccccc1[O-])Cc1cc(C#N)ccc1F ZINC001234107338 1313059022 /nfs/dbraw/zinc/05/90/22/1313059022.db2.gz GQTXCFIAYUNIKF-UHFFFAOYSA-N -1 3 341.386 2.655 20 30 EFEDHM C=CCC1(O)CCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)CC1 ZINC000884723459 1294233511 /nfs/dbraw/zinc/23/35/11/1294233511.db2.gz MNSIQVVSOGTXRK-UHFFFAOYSA-N -1 3 340.427 2.714 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2Oc1cc([O-])cc(C#N)c1 ZINC001234139640 1313067006 /nfs/dbraw/zinc/06/70/06/1313067006.db2.gz IRYJHMVKPKGGQD-VIKVFOODSA-N -1 3 330.384 2.898 20 30 EFEDHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](O)Oc1cc([O-])cc(C#N)c1 ZINC001234142703 1313067391 /nfs/dbraw/zinc/06/73/91/1313067391.db2.gz XGPUCXHXJNDCSB-IUHNQTRMSA-N -1 3 347.411 2.965 20 30 EFEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001234144836 1313068090 /nfs/dbraw/zinc/06/80/90/1313068090.db2.gz WEMOJTVJLPIZRD-QRWLVFNGSA-N -1 3 338.407 2.932 20 30 EFEDHM CCSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1 ZINC000102707889 1294408901 /nfs/dbraw/zinc/40/89/01/1294408901.db2.gz OGNTWVOGMKMHOT-GFCCVEGCSA-N -1 3 326.381 2.550 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000775747662 1294412435 /nfs/dbraw/zinc/41/24/35/1294412435.db2.gz WNPIJTANQCYKRI-JTQLQIEISA-N -1 3 346.836 2.545 20 30 EFEDHM COc1cccc(CS(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)c1 ZINC001197382350 1294522249 /nfs/dbraw/zinc/52/22/49/1294522249.db2.gz AIHWNPDCVJZHLC-UHFFFAOYSA-N -1 3 338.335 2.787 20 30 EFEDHM C[C@@](C#N)([N-]S(=O)(=O)Cc1cccnc1)c1ccccc1Cl ZINC001197476552 1294560634 /nfs/dbraw/zinc/56/06/34/1294560634.db2.gz LDSXQSMDTHEBKE-HNNXBMFYSA-N -1 3 335.816 2.593 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000959222146 1295076507 /nfs/dbraw/zinc/07/65/07/1295076507.db2.gz VGABHGQTGOZWJN-KGLIPLIRSA-N -1 3 330.428 2.571 20 30 EFEDHM N#Cc1cccc2nc(=O)[n-]c(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c12 ZINC001234511411 1313141735 /nfs/dbraw/zinc/14/17/35/1313141735.db2.gz PGBOMLYLRGPAJX-CQSZACIVSA-N -1 3 348.318 2.661 20 30 EFEDHM CC(C)Oc1cc(COc2[n-]c(=O)nc3cccc(C#N)c32)ccn1 ZINC001234513467 1313142511 /nfs/dbraw/zinc/14/25/11/1313142511.db2.gz LNHYBCBNPZYJML-UHFFFAOYSA-N -1 3 336.351 2.968 20 30 EFEDHM CCOC(=O)[C@H]1CCC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234514475 1313142644 /nfs/dbraw/zinc/14/26/44/1313142644.db2.gz WMSYGZKOFHAWTB-AAEUAGOBSA-N -1 3 341.367 2.708 20 30 EFEDHM CCOC(=O)[C@H]1CCC[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234514477 1313142814 /nfs/dbraw/zinc/14/28/14/1313142814.db2.gz WMSYGZKOFHAWTB-WCQYABFASA-N -1 3 341.367 2.708 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000959539013 1295504335 /nfs/dbraw/zinc/50/43/35/1295504335.db2.gz TULQJACMWVGYDI-CABCVRRESA-N -1 3 344.455 2.819 20 30 EFEDHM N#CCCCN1CC[C@]2(CCCN2Cc2c(F)ccc([O-])c2F)C1=O ZINC001274167999 1295536017 /nfs/dbraw/zinc/53/60/17/1295536017.db2.gz MBUXGCQLPOJQKR-GOSISDBHSA-N -1 3 349.381 2.541 20 30 EFEDHM C=CCSc1ncccc1C(=O)Nc1nc[n-]c1C(=O)OCC ZINC001199737100 1295714932 /nfs/dbraw/zinc/71/49/32/1295714932.db2.gz XRJZNFAZOBYXCI-UHFFFAOYSA-N -1 3 332.385 2.512 20 30 EFEDHM C=CCSc1ncccc1C(=O)Nc1[n-]cnc1C(=O)OCC ZINC001199737100 1295714940 /nfs/dbraw/zinc/71/49/40/1295714940.db2.gz XRJZNFAZOBYXCI-UHFFFAOYSA-N -1 3 332.385 2.512 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3ccsc3[n-]2)[C@H](C#N)C1 ZINC001234850941 1313198662 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COC(=O)c1nsnc1[N-]c1ccc(C(F)(F)F)cc1C#N ZINC001201690754 1297039504 /nfs/dbraw/zinc/03/95/04/1297039504.db2.gz AQJPLOFLUOWMCS-UHFFFAOYSA-N -1 3 328.275 2.959 20 30 EFEDHM Cc1cccc2c(=O)[nH]c(COC(=O)c3cc([O-])cc(C#N)c3)nc12 ZINC000776273506 1297335367 /nfs/dbraw/zinc/33/53/67/1297335367.db2.gz GUKQDEGSBQFDRV-UHFFFAOYSA-N -1 3 335.319 2.578 20 30 EFEDHM N#Cc1ccc(COC(=O)c2cncc([O-])c2)c(Br)c1 ZINC000778116918 1297448771 /nfs/dbraw/zinc/44/87/71/1297448771.db2.gz CWKHUNJNPGFKAQ-UHFFFAOYSA-N -1 3 333.141 2.778 20 30 EFEDHM COc1cc([O-])c(CN2CC[C@](C)(C#N)C2)c(Br)c1 ZINC001237068248 1313580812 /nfs/dbraw/zinc/58/08/12/1313580812.db2.gz NXRAXLFDBQDLRF-CQSZACIVSA-N -1 3 325.206 2.899 20 30 EFEDHM Cc1cc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)ccc1C#N ZINC000852756961 1299865929 /nfs/dbraw/zinc/86/59/29/1299865929.db2.gz FGBQBCWFGLOIGZ-ABAIWWIYSA-N -1 3 339.361 2.756 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC000953772214 1300257405 /nfs/dbraw/zinc/25/74/05/1300257405.db2.gz QGIPCAUFPLWUDO-UHFFFAOYSA-N -1 3 330.428 2.667 20 30 EFEDHM CCOc1cc(C=Nn2ccccc2=O)cc(Br)c1[O-] ZINC000776787038 1300783017 /nfs/dbraw/zinc/78/30/17/1300783017.db2.gz LWMACAVDQISNJL-UHFFFAOYSA-N -1 3 337.173 2.597 20 30 EFEDHM C=CC(C)(C)C(=O)N1C[C@@H]2CCCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000963673860 1301204258 /nfs/dbraw/zinc/20/42/58/1301204258.db2.gz OLKXVNWPZKJCEL-GOEBONIOSA-N -1 3 342.439 2.667 20 30 EFEDHM C=CCCO[N-]C(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000856030413 1301210863 /nfs/dbraw/zinc/21/08/63/1301210863.db2.gz YUNQEYWBHOHYGY-UHFFFAOYSA-N -1 3 331.372 2.692 20 30 EFEDHM C=CCCO[N-]C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000856029324 1301211278 /nfs/dbraw/zinc/21/12/78/1301211278.db2.gz IVEVNBVUEXTNBC-UHFFFAOYSA-N -1 3 331.368 2.667 20 30 EFEDHM CCCCCCC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000859246409 1301407706 /nfs/dbraw/zinc/40/77/06/1301407706.db2.gz DBMYBKKZCFHZJE-UHFFFAOYSA-N -1 3 349.474 2.792 20 30 EFEDHM CCCCCCC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000859247573 1301408888 /nfs/dbraw/zinc/40/88/88/1301408888.db2.gz YWOBRJAMVVTDPK-UHFFFAOYSA-N -1 3 348.852 2.770 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(C(=O)c3ccccc3[O-])C2)C1 ZINC001018399057 1313844917 /nfs/dbraw/zinc/84/49/17/1313844917.db2.gz VNYYUTCPUGRURW-GJZGRUSLSA-N -1 3 342.439 2.858 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000864347178 1302894585 /nfs/dbraw/zinc/89/45/85/1302894585.db2.gz LQOKVYDCYMDSEH-BVMDYBKGSA-N -1 3 348.349 2.815 20 30 EFEDHM C=C(Cl)C[C@H](NCc1cc(Br)cnc1OC)C(=O)[O-] ZINC000864519187 1302957335 /nfs/dbraw/zinc/95/73/35/1302957335.db2.gz HOAKIOGEFSSRNM-JTQLQIEISA-N -1 3 349.612 2.538 20 30 EFEDHM C[C@H]1CCN(CC#Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000965273120 1303099559 /nfs/dbraw/zinc/09/95/59/1303099559.db2.gz YPPDRTITIBZFAO-PXNSSMCTSA-N -1 3 348.446 2.884 20 30 EFEDHM C=C1CCC(C(=O)N[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C)CC1 ZINC000966173811 1303720813 /nfs/dbraw/zinc/72/08/13/1303720813.db2.gz DZGGRVLECMKASA-YOEHRIQHSA-N -1 3 342.439 2.715 20 30 EFEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc2c(c1)NC(=O)CO2 ZINC000794937709 1303730275 /nfs/dbraw/zinc/73/02/75/1303730275.db2.gz IRKGQDQMRXSNMN-DUXPYHPUSA-N -1 3 331.274 2.897 20 30 EFEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1ccc(N)nc1F ZINC001239814570 1313965639 /nfs/dbraw/zinc/96/56/39/1313965639.db2.gz OBHZFUSHSLRHHS-UFWORHAWSA-N -1 3 331.351 2.658 20 30 EFEDHM [O-]c1c(O)cc(CN=Nc2cccc(F)n2)cc1Br ZINC000795008935 1304247822 /nfs/dbraw/zinc/24/78/22/1304247822.db2.gz UDGGPDOBIUPHQB-UHFFFAOYSA-N -1 3 326.125 2.840 20 30 EFEDHM COc1ccccc1-c1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)s1 ZINC000868562988 1304357061 /nfs/dbraw/zinc/35/70/61/1304357061.db2.gz NMKOUSVIKQXLES-GFCCVEGCSA-N -1 3 346.408 2.534 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC000966976182 1304517224 /nfs/dbraw/zinc/51/72/24/1304517224.db2.gz OWPCQTKPZXODHQ-MRXNPFEDSA-N -1 3 344.455 2.961 20 30 EFEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1nc2ccccc2s1 ZINC000122950053 1305144938 /nfs/dbraw/zinc/14/49/38/1305144938.db2.gz JQBRRNFJWQZMBT-MLRMMBSGSA-N -1 3 336.376 2.635 20 30 EFEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1nc2ccccc2s1 ZINC000122950053 1305144942 /nfs/dbraw/zinc/14/49/42/1305144942.db2.gz JQBRRNFJWQZMBT-MLRMMBSGSA-N -1 3 336.376 2.635 20 30 EFEDHM [O-]N=Cc1ccccc1-c1ccc(OCCN2CCOCC2)cc1 ZINC001240451878 1314035192 /nfs/dbraw/zinc/03/51/92/1314035192.db2.gz INZLBQGELHBLDI-UHFFFAOYSA-N -1 3 326.396 2.873 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnn(CC2CC2)c1 ZINC000870139770 1305163615 /nfs/dbraw/zinc/16/36/15/1305163615.db2.gz RFWMREIBVWFIBR-CYBMUJFWSA-N -1 3 342.786 2.908 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2c(c1)CCO2 ZINC000870687343 1305498974 /nfs/dbraw/zinc/49/89/74/1305498974.db2.gz AFPDQFIUOJEHFK-UHFFFAOYSA-N -1 3 338.363 2.749 20 30 EFEDHM Cc1ccc(C#N)c(N[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)n1 ZINC001043065066 1305549603 /nfs/dbraw/zinc/54/96/03/1305549603.db2.gz WZQRYQTVLXGTBH-MLGOLLRUSA-N -1 3 336.395 2.540 20 30 EFEDHM N#Cc1cccc(CN2CCC[C@H](NC(=O)c3ccccc3[O-])C2)c1 ZINC001006778373 1307103168 /nfs/dbraw/zinc/10/31/68/1307103168.db2.gz POAQIFHNFQFNSX-KRWDZBQOSA-N -1 3 335.407 2.658 20 30 EFEDHM C#CCCCCC(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066860803 1307327929 /nfs/dbraw/zinc/32/79/29/1307327929.db2.gz MRZJMOCAIRIVSL-UHFFFAOYSA-N -1 3 330.428 2.506 20 30 EFEDHM C[C@@H](CNC(=O)c1ccccc1[O-])Nc1nc(Cl)c(C#N)s1 ZINC001097675483 1314190785 /nfs/dbraw/zinc/19/07/85/1314190785.db2.gz UPYDASHLYMXXGS-QMMMGPOBSA-N -1 3 336.804 2.604 20 30 EFEDHM N#Cc1cc(Cl)ccc1COC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800262109 1307634809 /nfs/dbraw/zinc/63/48/09/1307634809.db2.gz FVDOHTJDCQXAOY-UHFFFAOYSA-N -1 3 330.706 2.979 20 30 EFEDHM N#Cc1cc(Cl)ccc1COC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800262109 1307634815 /nfs/dbraw/zinc/63/48/15/1307634815.db2.gz FVDOHTJDCQXAOY-UHFFFAOYSA-N -1 3 330.706 2.979 20 30 EFEDHM N#Cc1cc(Cl)ccc1COC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800262109 1307634819 /nfs/dbraw/zinc/63/48/19/1307634819.db2.gz FVDOHTJDCQXAOY-UHFFFAOYSA-N -1 3 330.706 2.979 20 30 EFEDHM COCOc1cnc(-c2ccc([O-])c(C#N)c2)cc1/C=C/N(C)C ZINC001242564342 1314216348 /nfs/dbraw/zinc/21/63/48/1314216348.db2.gz YNHUPLHHCHZEEQ-VOTSOKGWSA-N -1 3 325.368 2.841 20 30 EFEDHM C=CCCC[C@@H](N)C(=O)N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000900457431 1308181475 /nfs/dbraw/zinc/18/14/75/1308181475.db2.gz KMCDGAUUEGAUGO-QGZVFWFLSA-N -1 3 330.428 2.774 20 30 EFEDHM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1ccc(F)c([O-])c1 ZINC001243049136 1314255976 /nfs/dbraw/zinc/25/59/76/1314255976.db2.gz PIFLAEMCBHKEEH-NSHDSACASA-N -1 3 337.310 2.922 20 30 EFEDHM Cc1ccc(C#N)c(N[C@H]2C[C@H](CNC(=O)c3ccccc3[O-])C2)n1 ZINC001046702270 1309133790 /nfs/dbraw/zinc/13/37/90/1309133790.db2.gz AEYICIQQUIVPEE-CTYIDZIISA-N -1 3 336.395 2.588 20 30 EFEDHM Cc1nc(N[C@H]2C[C@H](CNC(=O)c3ccccc3[O-])C2)ccc1C#N ZINC001046703233 1309136179 /nfs/dbraw/zinc/13/61/79/1309136179.db2.gz WNIBWJPTJZYBNR-CTYIDZIISA-N -1 3 336.395 2.588 20 30 EFEDHM Cc1nsc(N[C@H]2C[C@H](CNC(=O)c3ccccc3[O-])C2)c1C#N ZINC001046703276 1309136687 /nfs/dbraw/zinc/13/66/87/1309136687.db2.gz ZFQUTHMEPLMQFA-HAQNSBGRSA-N -1 3 342.424 2.649 20 30 EFEDHM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1cccc([O-])c1F ZINC001243543159 1314296571 /nfs/dbraw/zinc/29/65/71/1314296571.db2.gz DUCLKRHHSHOYBZ-NSHDSACASA-N -1 3 337.310 2.922 20 30 EFEDHM C=C(C)CCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001052722241 1314325546 /nfs/dbraw/zinc/32/55/46/1314325546.db2.gz JJPRTSYKLPFCNP-CABCVRRESA-N -1 3 330.428 2.573 20 30 EFEDHM O=C([C@@H]1CCCCS1(=O)=O)N([O-])Cc1cccc2ccccc21 ZINC000901370698 1310252175 /nfs/dbraw/zinc/25/21/75/1310252175.db2.gz DUJOBJYQQWRBIG-INIZCTEOSA-N -1 3 333.409 2.525 20 30 EFEDHM COCCn1cc(C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC000901371227 1310253299 /nfs/dbraw/zinc/25/32/99/1310253299.db2.gz OWZAHTLYGNYCGF-UHFFFAOYSA-N -1 3 325.368 2.714 20 30 EFEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)n(C2CCOCC2)n1 ZINC000901372364 1310255814 /nfs/dbraw/zinc/25/58/14/1310255814.db2.gz CUJLSXPJINTZCT-UHFFFAOYSA-N -1 3 333.363 2.714 20 30 EFEDHM O=C(c1cnn(-c2ccc(F)cc2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901372151 1310255887 /nfs/dbraw/zinc/25/58/87/1310255887.db2.gz SHBMXTQPXCFXTR-UHFFFAOYSA-N -1 3 330.294 2.577 20 30 EFEDHM Cc1cccc(-n2cc(C(=O)N([O-])Cc3ccc(F)cc3)nn2)c1 ZINC000901374830 1310263388 /nfs/dbraw/zinc/26/33/88/1310263388.db2.gz SWGGMFQSTHFWHD-UHFFFAOYSA-N -1 3 326.331 2.746 20 30 EFEDHM O=C([C@H]1CC(=O)Nc2cc(F)ccc21)N([O-])Cc1ccc(F)cc1 ZINC000901375036 1310263767 /nfs/dbraw/zinc/26/37/67/1310263767.db2.gz BSQHPULUYQRLPZ-AWEZNQCLSA-N -1 3 332.306 2.809 20 30 EFEDHM C[C@@H]1Oc2c(cccc2C(=O)N([O-])Cc2ccc(F)cc2)NC1=O ZINC000901374786 1310264192 /nfs/dbraw/zinc/26/41/92/1310264192.db2.gz RXUVWLIVYNTRJA-JTQLQIEISA-N -1 3 330.315 2.577 20 30 EFEDHM Cc1ccc(CCC(=O)NCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901374789 1310264472 /nfs/dbraw/zinc/26/44/72/1310264472.db2.gz RZYRPQUERDPTJL-UHFFFAOYSA-N -1 3 344.386 2.601 20 30 EFEDHM O=C([C@H]1CC(=O)N(c2ccccc2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901375172 1310264910 /nfs/dbraw/zinc/26/49/10/1310264910.db2.gz DXQAFUKWJAQAFA-AWEZNQCLSA-N -1 3 328.343 2.597 20 30 EFEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000901376885 1310268520 /nfs/dbraw/zinc/26/85/20/1310268520.db2.gz ZHUOBDNLMNCLKQ-ZDUSSCGKSA-N -1 3 330.359 2.752 20 30 EFEDHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc(OC)c1OC ZINC000901378543 1310275268 /nfs/dbraw/zinc/27/52/68/1310275268.db2.gz IUNLMZXEPDURHU-UHFFFAOYSA-N -1 3 335.331 2.883 20 30 EFEDHM COc1cc(OC)c(C(=O)N([O-])Cc2ccc(F)cc2)cc1OC ZINC000901378612 1310275374 /nfs/dbraw/zinc/27/53/74/1310275374.db2.gz JCKBHRAZOKDUNN-UHFFFAOYSA-N -1 3 335.331 2.883 20 30 EFEDHM C=CCN(CC(=O)[O-])Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000901585599 1310705826 /nfs/dbraw/zinc/70/58/26/1310705826.db2.gz AMWXRYQHGANACU-UHFFFAOYSA-N -1 3 335.354 2.840 20 30 EFEDHM COc1cc(C(F)(F)F)c(C#N)c(-c2cnc(OC)c([O-])c2)n1 ZINC001244845137 1314418941 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N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)s1 ZINC001259503788 1316252576 /nfs/dbraw/zinc/25/25/76/1316252576.db2.gz NXNRUYLVOCGUBD-UHFFFAOYSA-N -1 3 332.328 2.516 20 30 EFEDHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C#N ZINC001259861250 1316288409 /nfs/dbraw/zinc/28/84/09/1316288409.db2.gz YFSUBJHCAMCRSS-UHFFFAOYSA-N -1 3 328.393 2.856 20 30 EFEDHM COc1ccc(CS(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)cc1 ZINC001259899077 1316294295 /nfs/dbraw/zinc/29/42/95/1316294295.db2.gz DHULUJZERLKBLX-UHFFFAOYSA-N -1 3 338.335 2.787 20 30 EFEDHM COc1ccc(CS(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)cc1 ZINC001259900541 1316294915 /nfs/dbraw/zinc/29/49/15/1316294915.db2.gz DRNSHIMJSYITEH-UHFFFAOYSA-N -1 3 338.335 2.787 20 30 EFEDHM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001260003234 1316305037 /nfs/dbraw/zinc/30/50/37/1316305037.db2.gz GSFBSMDNKBSIRG-CYBMUJFWSA-N -1 3 325.415 2.764 20 30 EFEDHM N#Cc1cnc([N-]S(=O)(=O)Cc2ccccc2F)c(Cl)c1 ZINC001260621297 1316349548 /nfs/dbraw/zinc/34/95/48/1316349548.db2.gz BLULVDDDPJKKIX-UHFFFAOYSA-N -1 3 325.752 2.688 20 30 EFEDHM Cn1cc(N2CC[C@H](/N=C\c3cc(Br)ccc3[O-])C2)cn1 ZINC001318566480 1328640202 /nfs/dbraw/zinc/64/02/02/1328640202.db2.gz KWBRYGBBEAFNJR-OFXGXDKDSA-N -1 3 349.232 2.586 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001261263982 1316399944 /nfs/dbraw/zinc/39/99/44/1316399944.db2.gz YNASXZKYHJBCDT-SSDOTTSWSA-N -1 3 341.742 2.724 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001263285292 1316527019 /nfs/dbraw/zinc/52/70/19/1316527019.db2.gz CSGAFOITPFDMGN-STQMWFEESA-N -1 3 342.447 2.808 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCS[C@H](C)[C@H]1C ZINC001263323633 1316530491 /nfs/dbraw/zinc/53/04/91/1316530491.db2.gz VOMPYHARRIMWKG-GHMZBOCLSA-N -1 3 335.433 2.545 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1n[nH]c2c1CCCC2 ZINC001263375257 1316538977 /nfs/dbraw/zinc/53/89/77/1316538977.db2.gz KCCIYAKTVFCPKZ-LLVKDONJSA-N -1 3 342.786 2.903 20 30 EFEDHM C=C(Br)CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001292375495 1322059133 /nfs/dbraw/zinc/05/91/33/1322059133.db2.gz NQQWGFLOKQBYOL-UHFFFAOYSA-N -1 3 341.592 2.820 20 30 EFEDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(CC#N)cc1 ZINC001321690963 1329403469 /nfs/dbraw/zinc/40/34/69/1329403469.db2.gz SRCMXOWZDBDUIE-UHFFFAOYSA-N -1 3 349.343 2.909 20 30 EFEDHM C=CCCn1cc(CN[C@H](C(=O)[O-])C(C2CCC2)C2CCC2)nn1 ZINC001327017938 1330400322 /nfs/dbraw/zinc/40/03/22/1330400322.db2.gz OJUAOLMSZNRGER-KRWDZBQOSA-N -1 3 332.448 2.613 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-]Cc1nc(Cc2ccccc2F)no1 ZINC001331995709 1330902528 /nfs/dbraw/zinc/90/25/28/1330902528.db2.gz SJUDIYBFYQVRCP-UHFFFAOYSA-N -1 3 325.290 2.627 20 30 EFEDHM C#CCN(CC1CC1)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001334234193 1331269232 /nfs/dbraw/zinc/26/92/32/1331269232.db2.gz ZVBIVYBUXHHXCT-UHFFFAOYSA-N -1 3 335.429 2.976 20 30 EFEDHM C=C(C)C[C@H](NCc1c(C)nn(-c2ccccn2)c1Cl)C(=O)[O-] ZINC001334841469 1331315481 /nfs/dbraw/zinc/31/54/81/1331315481.db2.gz NLCUANATQZILEF-ZDUSSCGKSA-N -1 3 334.807 2.738 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(NC(=O)C3CC3)cc2)c1[O-] ZINC001337252709 1331554330 /nfs/dbraw/zinc/55/43/30/1331554330.db2.gz KPIWASQWFCELES-JMIUGGIZSA-N -1 3 339.395 2.556 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](CC(C)C)C1 ZINC001339196416 1331814507 /nfs/dbraw/zinc/81/45/07/1331814507.db2.gz MGGYEYODPJUQJO-CQSZACIVSA-N -1 3 342.447 2.808 20 30 EFEDHM C=CC[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC)C1 ZINC001339362479 1331848712 /nfs/dbraw/zinc/84/87/12/1331848712.db2.gz DNYWHMLRXJHJMJ-ZDUSSCGKSA-N -1 3 328.420 2.562 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC(C)(C)CC(C)(C)C1 ZINC001340343347 1332177802 /nfs/dbraw/zinc/17/78/02/1332177802.db2.gz OTNJVECNANPZOU-UHFFFAOYSA-N -1 3 342.447 2.889 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(Cc1ccco1)C(C)C ZINC001340343570 1332177839 /nfs/dbraw/zinc/17/78/39/1332177839.db2.gz RNIGRLJIHXODNT-UHFFFAOYSA-N -1 3 340.387 2.635 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(CC)CCc1cccs1 ZINC001340379624 1332184470 /nfs/dbraw/zinc/18/44/70/1332184470.db2.gz FUBVGYYCXKCYTN-UHFFFAOYSA-N -1 3 345.428 2.955 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001343732241 1332374273 /nfs/dbraw/zinc/37/42/73/1332374273.db2.gz JCGDCXWTKCYSAX-BETUJISGSA-N -1 3 327.388 2.617 20 30 EFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC001343924740 1332391421 /nfs/dbraw/zinc/39/14/21/1332391421.db2.gz YUXOCULZRVGPDB-LLVKDONJSA-N -1 3 349.225 2.700 20 30 EFEDHM C=C1CCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC(C)C)CC1 ZINC001345132018 1332511630 /nfs/dbraw/zinc/51/16/30/1332511630.db2.gz JPWCLKUJGHIPIG-UHFFFAOYSA-N -1 3 328.420 2.562 20 30 EFEDHM C=CC[C@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CC(=C)C)C1 ZINC001346355561 1332628931 /nfs/dbraw/zinc/62/89/31/1332628931.db2.gz MLDDURYGAHIABI-AWEZNQCLSA-N -1 3 340.431 2.809 20 30 EFEDHM C=CC[C@@H]1CCCN(c2nnc(-c3cnc[n-]c3=O)n2CC(=C)C)C1 ZINC001346355562 1332629225 /nfs/dbraw/zinc/62/92/25/1332629225.db2.gz MLDDURYGAHIABI-CQSZACIVSA-N -1 3 340.431 2.809 20 30 EFEDHM CCCCCCCCC(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001347304610 1332732772 /nfs/dbraw/zinc/73/27/72/1332732772.db2.gz KQZNLSLIXVYQBC-OAHLLOKOSA-N -1 3 334.464 2.936 20 30 EFEDHM CCCCCCCC(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001347304074 1332732940 /nfs/dbraw/zinc/73/29/40/1332732940.db2.gz BKEKPNNZVHGOSF-HNNXBMFYSA-N -1 3 334.464 2.936 20 30 EFEDHM C=C(CC)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC001347604878 1332759396 /nfs/dbraw/zinc/75/93/96/1332759396.db2.gz ZTOAYTMBCIWUNL-UHFFFAOYSA-N -1 3 336.335 2.982 20 30 EFEDHM C=CCC1(C(=O)N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CCCC1 ZINC001349214463 1332920238 /nfs/dbraw/zinc/92/02/38/1332920238.db2.gz URFSKABWJURTOU-OAHLLOKOSA-N -1 3 344.459 2.712 20 30 EFEDHM CC1(C)Cc2cccc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c2O1 ZINC000847627683 1334029936 /nfs/dbraw/zinc/02/99/36/1334029936.db2.gz AVUIUURHGZQTIK-AWEZNQCLSA-N -1 3 335.363 2.756 20 30 EFEDHM N#Cc1ccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c(F)c1 ZINC001354504747 1334338776 /nfs/dbraw/zinc/33/87/76/1334338776.db2.gz PQJMVXUWEYXNPD-UHFFFAOYSA-N -1 3 325.328 2.863 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(Cc2cccs2)CCCCC1 ZINC000848132666 1334345338 /nfs/dbraw/zinc/34/53/38/1334345338.db2.gz OLCPKNMUQFMZCP-CQSZACIVSA-N -1 3 336.457 2.738 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000848139539 1334351866 /nfs/dbraw/zinc/35/18/66/1334351866.db2.gz YCQCJHMFDCDOSK-SNVBAGLBSA-N -1 3 339.804 2.507 20 30 EFEDHM C=CCn1c(-c2cccc(CC(=C)C)c2[O-])nnc1N1CCOCC1 ZINC001355865181 1334891175 /nfs/dbraw/zinc/89/11/75/1334891175.db2.gz GSUQDJXGXLRCCC-UHFFFAOYSA-N -1 3 340.427 2.792 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC2(CCC2)C1 ZINC001355956839 1334918031 /nfs/dbraw/zinc/91/80/31/1334918031.db2.gz ADKMLXDVYAGPPW-UHFFFAOYSA-N -1 3 340.431 2.706 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001356007978 1334930703 /nfs/dbraw/zinc/93/07/03/1334930703.db2.gz RRXKKTKZRAPIFM-OAHLLOKOSA-N -1 3 337.383 2.948 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2occ(C)c2C)cc1OC ZINC001356088393 1334952091 /nfs/dbraw/zinc/95/20/91/1334952091.db2.gz RKQZMCABSKBHJO-ZDUSSCGKSA-N -1 3 342.351 2.875 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)C[C@H]1CC ZINC001356139755 1334969671 /nfs/dbraw/zinc/96/96/71/1334969671.db2.gz NKYQAYPRRKYIKM-DGCLKSJQSA-N -1 3 328.420 2.560 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H](C)CCSC ZINC001356140545 1334969755 /nfs/dbraw/zinc/96/97/55/1334969755.db2.gz VHIZLNFXIFABLW-NSHDSACASA-N -1 3 348.476 2.513 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](C)C[C@H]1CC ZINC001356139756 1334970174 /nfs/dbraw/zinc/97/01/74/1334970174.db2.gz NKYQAYPRRKYIKM-WCQYABFASA-N -1 3 328.420 2.560 20 30 EFEDHM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)c2nccn2C)o1 ZINC001356579396 1335056480 /nfs/dbraw/zinc/05/64/80/1335056480.db2.gz ZYRYNNYHLBSRQC-GFCCVEGCSA-N -1 3 341.396 2.529 20 30 EFEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000849426046 1335612776 /nfs/dbraw/zinc/61/27/76/1335612776.db2.gz NTZGJDYACWVMKI-UHFFFAOYSA-N -1 3 341.285 2.976 20 30 EFEDHM C=CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000849425993 1335612817 /nfs/dbraw/zinc/61/28/17/1335612817.db2.gz LUJIRQJFEXZXIA-UHFFFAOYSA-N -1 3 338.212 2.634 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)cc(C#N)c1 ZINC001361857798 1336379480 /nfs/dbraw/zinc/37/94/80/1336379480.db2.gz KYZDEDDVIHDVPW-UHFFFAOYSA-N -1 3 338.342 2.858 20 30 EFEDHM CC(C)(C#N)CC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001363088185 1336778051 /nfs/dbraw/zinc/77/80/51/1336778051.db2.gz KAYYERJCILFAPB-UHFFFAOYSA-N -1 3 349.192 2.508 20 30 EFEDHM CC(C)(C#N)CC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001363088185 1336778054 /nfs/dbraw/zinc/77/80/54/1336778054.db2.gz KAYYERJCILFAPB-UHFFFAOYSA-N -1 3 349.192 2.508 20 30 EFEDHM C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC001363507093 1336908306 /nfs/dbraw/zinc/90/83/06/1336908306.db2.gz VBAKBHIPMVEOQX-KXBFYZLASA-N -1 3 349.434 2.904 20 30 EFEDHM N#Cc1cccc(NC(=O)NCc2ccc([O-])c(Br)c2)n1 ZINC001414466025 1370341852 /nfs/dbraw/zinc/34/18/52/1370341852.db2.gz VFFQNPHBZMRWLH-UHFFFAOYSA-N -1 3 347.172 2.743 20 30 EFEDHM Cc1cc(=O)[n-]c(CNc2cc(Br)c(C#N)cc2F)n1 ZINC001434447638 1387154252 /nfs/dbraw/zinc/15/42/52/1387154252.db2.gz ZBWRODBDQAGAAV-UHFFFAOYSA-N -1 3 337.152 2.876 20 30 EFEDHM COc1ccc(CNC(=O)c2cc(SC)ccc2[O-])cc1C#N ZINC001471542155 1397182736 /nfs/dbraw/zinc/18/27/36/1397182736.db2.gz MIGHOVPZCQJMJQ-UHFFFAOYSA-N -1 3 328.393 2.924 20 30 EFEDHM CO[C@@H]1C[C@H](C/N=C/c2cc(Cl)ccc2[O-])N(c2ccncn2)C1 ZINC001551948072 1414290393 /nfs/dbraw/zinc/29/03/93/1414290393.db2.gz NAZRJBKGRYASDF-KRRVDEOFSA-N -1 3 346.818 2.548 20 30 EFEDHM CN(C)c1ccc(C#N)cc1CNC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC001646232687 1416636844 /nfs/dbraw/zinc/63/68/44/1416636844.db2.gz KQFNZXZHROUVBK-CYBMUJFWSA-N -1 3 343.349 2.757 20 30 EFEDHM COC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)n(-c2ccccc2)n1 ZINC000103329854 1416766809 /nfs/dbraw/zinc/76/68/09/1416766809.db2.gz UPGYQUBWSNAMQK-AWEZNQCLSA-N -1 3 346.346 2.544 20 30 EFEDHM CCN(Cc1ccnc(C#N)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825439735 1425107389 /nfs/dbraw/zinc/10/73/89/1425107389.db2.gz MECWRKZTDXGBNP-ZDUSSCGKSA-N -1 3 333.399 2.716 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736308849 1426480584 /nfs/dbraw/zinc/48/05/84/1426480584.db2.gz ISVMGOZNRWCWJM-QGZVFWFLSA-N -1 3 348.410 2.837 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736308849 1426480588 /nfs/dbraw/zinc/48/05/88/1426480588.db2.gz ISVMGOZNRWCWJM-QGZVFWFLSA-N -1 3 348.410 2.837 20 30 EFEDHM N#CCCCOc1cccc(CNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737686479 1427425235 /nfs/dbraw/zinc/42/52/35/1427425235.db2.gz BWHGHVQHPFXPIM-UHFFFAOYSA-N -1 3 348.410 2.839 20 30 EFEDHM N#CCCCOc1cccc(CNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737686479 1427425238 /nfs/dbraw/zinc/42/52/38/1427425238.db2.gz BWHGHVQHPFXPIM-UHFFFAOYSA-N -1 3 348.410 2.839 20 30 EFEDHM c1cc(-c2nn[n-]n2)ccc1CN1CCC(=NOC2CCCC2)CC1 ZINC000826513340 1427903013 /nfs/dbraw/zinc/90/30/13/1427903013.db2.gz ITPVYOCEALFQFN-UHFFFAOYSA-N -1 3 340.431 2.778 20 30 EFEDHM c1cc(-c2nnn[n-]2)ccc1CN1CCC(=NOC2CCCC2)CC1 ZINC000826513340 1427903017 /nfs/dbraw/zinc/90/30/17/1427903017.db2.gz ITPVYOCEALFQFN-UHFFFAOYSA-N -1 3 340.431 2.778 20 30 EFEDHM C#CCN(Cc1cc(-c2nn[n-]n2)ccc1OC)C1CCCCC1 ZINC000823845422 1430237758 /nfs/dbraw/zinc/23/77/58/1430237758.db2.gz RLZTUKTYDUGKTA-UHFFFAOYSA-N -1 3 325.416 2.643 20 30 EFEDHM C#CCN(Cc1cc(-c2nnn[n-]2)ccc1OC)C1CCCCC1 ZINC000823845422 1430237762 /nfs/dbraw/zinc/23/77/62/1430237762.db2.gz RLZTUKTYDUGKTA-UHFFFAOYSA-N -1 3 325.416 2.643 20 30 EFEDHM N#Cc1cccc(NC(=O)COC(=O)c2cc3ccsc3[n-]2)c1 ZINC000023345635 712903636 /nfs/dbraw/zinc/90/36/36/712903636.db2.gz KCITTXDZOMPZKM-UHFFFAOYSA-N -1 3 325.349 2.897 20 30 EFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000186842361 712965815 /nfs/dbraw/zinc/96/58/15/712965815.db2.gz BLFJPXIFXFHXDU-UHFFFAOYSA-N -1 3 335.281 2.898 20 30 EFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@@H]1CCCc2sccc21 ZINC000330097921 713000913 /nfs/dbraw/zinc/00/09/13/713000913.db2.gz BGZVLAZQXADWNQ-MRVPVSSYSA-N -1 3 345.350 2.966 20 30 EFEDHM C[C@@H](NC(=O)c1ccccc1[O-])C1CN(Cc2cccc(C#N)c2)C1 ZINC000969307602 713027562 /nfs/dbraw/zinc/02/75/62/713027562.db2.gz IDYGGQBTBAESEZ-CQSZACIVSA-N -1 3 335.407 2.514 20 30 EFEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120284920 713051046 /nfs/dbraw/zinc/05/10/46/713051046.db2.gz NZYKGUOZXADYPR-UHFFFAOYSA-N -1 3 343.773 2.982 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001020781493 713396521 /nfs/dbraw/zinc/39/65/21/713396521.db2.gz WKCRRPQTMQHWAL-CABCVRRESA-N -1 3 344.455 2.819 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(C)n2)c1 ZINC000177597841 713740061 /nfs/dbraw/zinc/74/00/61/713740061.db2.gz TVZSORKUWAEWMN-CQSZACIVSA-N -1 3 340.383 2.513 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(CC(C)C)n2)c1 ZINC000892491929 717952193 /nfs/dbraw/zinc/95/21/93/717952193.db2.gz PMELOPQZRNCHIV-HNNXBMFYSA-N -1 3 340.383 2.509 20 30 EFEDHM CN(Cc1ccccc1C#N)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000971106245 714361027 /nfs/dbraw/zinc/36/10/27/714361027.db2.gz BWIZKLBWFQSCQU-KRWDZBQOSA-N -1 3 335.407 2.610 20 30 EFEDHM C=CCc1cc(/C=C2\c3ccccc3C(=O)[N-]C2=O)cc(OC)c1O ZINC000255294422 714526776 /nfs/dbraw/zinc/52/67/76/714526776.db2.gz DXUCECWDNKKPDW-MHWRWJLKSA-N -1 3 335.359 2.940 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSCc1ccco1 ZINC000255316730 714637352 /nfs/dbraw/zinc/63/73/52/714637352.db2.gz MUXGUCODANVEQD-OYVUYXNMSA-N -1 3 327.365 2.769 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSCc1ccco1 ZINC000255316732 714637382 /nfs/dbraw/zinc/63/73/82/714637382.db2.gz MUXGUCODANVEQD-XURPKSDJSA-N -1 3 327.365 2.769 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3[O-])C2)C1 ZINC000975120897 715522689 /nfs/dbraw/zinc/52/26/89/715522689.db2.gz LJJDCURYEMWIDE-HNNXBMFYSA-N -1 3 342.439 2.717 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1c(Cl)nc2ccccn21 ZINC000128095926 715718237 /nfs/dbraw/zinc/71/82/37/715718237.db2.gz UDHSZAYPCXVMJK-GFCCVEGCSA-N -1 3 338.754 2.949 20 30 EFEDHM [O-]c1c(Br)cc(O)cc1CN=Nc1ncncc1Cl ZINC000780282300 715725983 /nfs/dbraw/zinc/72/59/83/715725983.db2.gz ARIXQUGYROXYCI-UHFFFAOYSA-N -1 3 343.568 2.750 20 30 EFEDHM O=C(NC[C@@H]1CCCN1CC#Cc1ccccc1)c1ccccc1[O-] ZINC001027762395 716886368 /nfs/dbraw/zinc/88/63/68/716886368.db2.gz XRFRWPMICLUEMO-SFHVURJKSA-N -1 3 334.419 2.638 20 30 EFEDHM C[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000023416283 718164413 /nfs/dbraw/zinc/16/44/13/718164413.db2.gz QVPBWQPBYSSGLT-NSHDSACASA-N -1 3 348.355 2.695 20 30 EFEDHM C=C1CCC(C(=O)N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC000973025437 718317035 /nfs/dbraw/zinc/31/70/35/718317035.db2.gz LJMZFVNTUXEIHR-SHTZXODSSA-N -1 3 328.412 2.516 20 30 EFEDHM CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1 ZINC000255904204 718340629 /nfs/dbraw/zinc/34/06/29/718340629.db2.gz NTHVWUVELQJDRP-WAPJZHGLSA-N -1 3 335.356 2.799 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C(C)C)c1C ZINC000181253642 718412449 /nfs/dbraw/zinc/41/24/49/718412449.db2.gz ZKWYNSGWOZWDNY-ZDUSSCGKSA-N -1 3 340.383 2.742 20 30 EFEDHM C=C1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC000973899689 720010810 /nfs/dbraw/zinc/01/08/10/720010810.db2.gz LJMZFVNTUXEIHR-GASCZTMLSA-N -1 3 328.412 2.516 20 30 EFEDHM C=C1CCC(C(=O)N2CC[C@@H](CNC(=O)c3ccccc3[O-])C2)CC1 ZINC000983237779 721929844 /nfs/dbraw/zinc/92/98/44/721929844.db2.gz MPSOLTZZOFSDAR-HNNXBMFYSA-N -1 3 342.439 2.717 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000983239790 721932861 /nfs/dbraw/zinc/93/28/61/721932861.db2.gz ZAIBMJWLBAKLAU-KUHUBIRLSA-N -1 3 330.428 2.573 20 30 EFEDHM N#Cc1c(Cl)nsc1N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001059152941 722657226 /nfs/dbraw/zinc/65/72/26/722657226.db2.gz CNMWSTOXJDTCQQ-KYZUINATSA-N -1 3 348.815 2.747 20 30 EFEDHM N#Cc1c(F)cccc1N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001059152909 722657304 /nfs/dbraw/zinc/65/73/04/722657304.db2.gz BLJMYJLPKOZDJL-HAQNSBGRSA-N -1 3 325.343 2.776 20 30 EFEDHM Cc1nn(-c2ccccc2)c(C)c1C=[NH+][N-]c1ncnc2[n-]cnc21 ZINC000917555180 728759419 /nfs/dbraw/zinc/75/94/19/728759419.db2.gz QITUUQQVKGXBGD-UHFFFAOYSA-N -1 3 332.371 2.601 20 30 EFEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)s1 ZINC000140386577 722679523 /nfs/dbraw/zinc/67/95/23/722679523.db2.gz GRUSTLUYKIZQCC-ZDUSSCGKSA-N -1 3 343.408 2.984 20 30 EFEDHM C#CCCCCC(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059187909 722866703 /nfs/dbraw/zinc/86/67/03/722866703.db2.gz MPLORKXMJYMYFP-INIZCTEOSA-N -1 3 342.439 2.554 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cncc(Cl)c1 ZINC000895085685 723240859 /nfs/dbraw/zinc/24/08/59/723240859.db2.gz ODWIUWIKWUXFLI-UHFFFAOYSA-N -1 3 330.775 2.895 20 30 EFEDHM O=C1[C@H](NCc2cc3cc(Br)ccc3o2)CCCN1[O-] ZINC000895156996 723484485 /nfs/dbraw/zinc/48/44/85/723484485.db2.gz KJZQUFJDCQOZHG-GFCCVEGCSA-N -1 3 339.189 2.665 20 30 EFEDHM O=C1[C@@H](NCc2ccc(Br)c(Cl)c2)CCCN1[O-] ZINC000895161814 723493152 /nfs/dbraw/zinc/49/31/52/723493152.db2.gz URLODFHRUHZXDC-NSHDSACASA-N -1 3 333.613 2.572 20 30 EFEDHM CSc1cc(Br)ccc1CN[C@H]1CCCN([O-])C1=O ZINC000895164157 723502786 /nfs/dbraw/zinc/50/27/86/723502786.db2.gz DDDFKESOKBGGCU-NSHDSACASA-N -1 3 345.262 2.641 20 30 EFEDHM O=C1[C@H](NCC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCN1[O-] ZINC000895167543 723516508 /nfs/dbraw/zinc/51/65/08/723516508.db2.gz XWBPINJVIHUXNM-CYBMUJFWSA-N -1 3 343.210 2.739 20 30 EFEDHM COc1cc(C=NNc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])cc1[O-] ZINC000727973674 723542560 /nfs/dbraw/zinc/54/25/60/723542560.db2.gz VYSHFTQPQFTPAK-UHFFFAOYSA-N -1 3 346.299 2.972 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)c1 ZINC000127057179 723589610 /nfs/dbraw/zinc/58/96/10/723589610.db2.gz YOBBMOOBBUCQBA-CYBMUJFWSA-N -1 3 329.381 2.730 20 30 EFEDHM COC(=O)[C@@H](CC1CC1)/N=C/c1cc(Br)ccc1[O-] ZINC000840711237 723984501 /nfs/dbraw/zinc/98/45/01/723984501.db2.gz PTQYDJPHHNITED-GGNJANJASA-N -1 3 326.190 2.915 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)c1 ZINC000127002038 724316692 /nfs/dbraw/zinc/31/66/92/724316692.db2.gz VMMBPALOWRPFRY-HNNXBMFYSA-N -1 3 339.307 2.565 20 30 EFEDHM N#Cc1cc(F)ccc1N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000895841926 724338352 /nfs/dbraw/zinc/33/83/52/724338352.db2.gz KGDHZADJXVJLBQ-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@@H](CN(C)C(=O)c3ccccc3[O-])C2)C1 ZINC000988319458 726175549 /nfs/dbraw/zinc/17/55/49/726175549.db2.gz OWCSTKSUHXLYKB-HNNXBMFYSA-N -1 3 342.439 2.669 20 30 EFEDHM C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000937696271 726308805 /nfs/dbraw/zinc/30/88/05/726308805.db2.gz KMVBVKOMSXCWOP-LBPRGKRZSA-N -1 3 336.819 2.502 20 30 EFEDHM O=C1CN(N=Cc2cccc(OCCCc3ccccc3)c2)C(=O)[N-]1 ZINC000731924526 726957540 /nfs/dbraw/zinc/95/75/40/726957540.db2.gz DSPSHPOQRORMHT-UHFFFAOYSA-N -1 3 337.379 2.584 20 30 EFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1 ZINC000130402527 727111049 /nfs/dbraw/zinc/11/10/49/727111049.db2.gz NVAZZXPNCHFHKT-OAHLLOKOSA-N -1 3 340.335 2.726 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC000908407888 727180195 /nfs/dbraw/zinc/18/01/95/727180195.db2.gz XTJCFBFGRMLETQ-KGTBHZDVSA-N -1 3 346.280 2.512 20 30 EFEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000908650033 727235140 /nfs/dbraw/zinc/23/51/40/727235140.db2.gz HIXOLLZWQPAAAT-ZDUSSCGKSA-N -1 3 333.384 2.549 20 30 EFEDHM C=CCC[C@H](NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908884007 727281151 /nfs/dbraw/zinc/28/11/51/727281151.db2.gz GYKPKUVHKCOTPK-OIISXLGYSA-N -1 3 345.443 2.541 20 30 EFEDHM C#CCN1CCC(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)CC1 ZINC000909118861 727325223 /nfs/dbraw/zinc/32/52/23/727325223.db2.gz GTVMQUWZJHIJSN-UHFFFAOYSA-N -1 3 342.420 2.883 20 30 EFEDHM C=C(C)C[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000910291723 727430680 /nfs/dbraw/zinc/43/06/80/727430680.db2.gz ALXBAHHVAALTGD-QGZVFWFLSA-N -1 3 330.428 2.822 20 30 EFEDHM Cc1ccc(NC(=S)NN=Cc2c([O-])c(C)ncc2CO)c(C)c1 ZINC000915912339 727639406 /nfs/dbraw/zinc/63/94/06/727639406.db2.gz FIEJYKABUTUCEW-UHFFFAOYSA-N -1 3 344.440 2.525 20 30 EFEDHM CC(C)N1c2ccccc2C(=N[N-]c2ccc([N+](=O)[O-])cn2)C1=O ZINC000915969139 727643757 /nfs/dbraw/zinc/64/37/57/727643757.db2.gz KQJRPFNUFBFXNQ-UHFFFAOYSA-N -1 3 325.328 2.561 20 30 EFEDHM C[C@]1(c2ccccc2)NC(=O)N(N=Cc2cc(Cl)ccc2[O-])C1=O ZINC000916329118 727675877 /nfs/dbraw/zinc/67/58/77/727675877.db2.gz ZFIUCAUPXLDFHC-QGZVFWFLSA-N -1 3 343.770 2.847 20 30 EFEDHM CC(=NNC(=S)NC[C@@H]1CCCO1)c1ccc2ccccc2c1[O-] ZINC000916312074 727676282 /nfs/dbraw/zinc/67/62/82/727676282.db2.gz XHOPPNGMJUNLRM-AWEZNQCLSA-N -1 3 343.452 2.913 20 30 EFEDHM O=c1c2ccccc2ncn1N=Cc1cc(Br)ccc1[O-] ZINC000916369709 727678355 /nfs/dbraw/zinc/67/83/55/727678355.db2.gz JTFCRGGFJIUHTM-UHFFFAOYSA-N -1 3 344.168 2.747 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)C)[nH]n1 ZINC000129961073 728484609 /nfs/dbraw/zinc/48/46/09/728484609.db2.gz KDMYADQAIMOPHX-LLVKDONJSA-N -1 3 326.356 2.503 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000233294983 729483935 /nfs/dbraw/zinc/48/39/35/729483935.db2.gz HNJOXIOCPPDHHK-JTQLQIEISA-N -1 3 334.210 2.668 20 30 EFEDHM C=C(Br)CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000068692851 729739838 /nfs/dbraw/zinc/73/98/38/729739838.db2.gz CRYCCHNPPKXDOY-UHFFFAOYSA-N -1 3 335.205 2.715 20 30 EFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccncc2)s1 ZINC000819719023 945274091 /nfs/dbraw/zinc/27/40/91/945274091.db2.gz XIZXDCWRCSLAMG-UHFFFAOYSA-N -1 3 348.395 2.831 20 30 EFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccncc2)s1 ZINC000819719023 945274097 /nfs/dbraw/zinc/27/40/97/945274097.db2.gz XIZXDCWRCSLAMG-UHFFFAOYSA-N -1 3 348.395 2.831 20 30 EFEDHM CC(C)Cc1ncc(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820108574 945353188 /nfs/dbraw/zinc/35/31/88/945353188.db2.gz NNHHOZJCSNMCJP-UHFFFAOYSA-N -1 3 341.444 2.645 20 30 EFEDHM CC(C)Cc1ncc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820108574 945353199 /nfs/dbraw/zinc/35/31/99/945353199.db2.gz NNHHOZJCSNMCJP-UHFFFAOYSA-N -1 3 341.444 2.645 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823893957 946502174 /nfs/dbraw/zinc/50/21/74/946502174.db2.gz CHFXEYQYOMUKJA-CYBMUJFWSA-N -1 3 340.431 2.900 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823893957 946502181 /nfs/dbraw/zinc/50/21/81/946502181.db2.gz CHFXEYQYOMUKJA-CYBMUJFWSA-N -1 3 340.431 2.900 20 30 EFEDHM C=CCN(CC=C)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823903548 946510505 /nfs/dbraw/zinc/51/05/05/946510505.db2.gz CSTLETCIWBPAOS-UHFFFAOYSA-N -1 3 349.847 2.813 20 30 EFEDHM C=CCN(CC=C)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823903548 946510512 /nfs/dbraw/zinc/51/05/12/946510512.db2.gz CSTLETCIWBPAOS-UHFFFAOYSA-N -1 3 349.847 2.813 20 30 EFEDHM C=CCc1cc(OCC)ccc1OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823937371 946523989 /nfs/dbraw/zinc/52/39/89/946523989.db2.gz USSSKPMOYNWTHH-UHFFFAOYSA-N -1 3 339.355 2.541 20 30 EFEDHM C=CCc1cc(OCC)ccc1OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823937371 946523998 /nfs/dbraw/zinc/52/39/98/946523998.db2.gz USSSKPMOYNWTHH-UHFFFAOYSA-N -1 3 339.355 2.541 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823958440 946527544 /nfs/dbraw/zinc/52/75/44/946527544.db2.gz NEOCNRIHJTWJRY-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM C#C[C@@H](Nc1cc(Br)c(-c2nnn[n-]2)cc1F)C(C)C ZINC001573281460 946676558 /nfs/dbraw/zinc/67/65/58/946676558.db2.gz YYTNSHHXNLRREX-LLVKDONJSA-N -1 3 338.184 2.838 20 30 EFEDHM C#C[C@@H](Nc1cc(Br)c(-c2nn[n-]n2)cc1F)C(C)C ZINC001573281460 946676563 /nfs/dbraw/zinc/67/65/63/946676563.db2.gz YYTNSHHXNLRREX-LLVKDONJSA-N -1 3 338.184 2.838 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)c1 ZINC001573289799 946891077 /nfs/dbraw/zinc/89/10/77/946891077.db2.gz DEPNPSJWVHEOCE-UHFFFAOYSA-N -1 3 347.378 2.523 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)c1 ZINC001573289799 946891089 /nfs/dbraw/zinc/89/10/89/946891089.db2.gz DEPNPSJWVHEOCE-UHFFFAOYSA-N -1 3 347.378 2.523 20 30 EFEDHM C=C(CNC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001573294707 946997843 /nfs/dbraw/zinc/99/78/43/946997843.db2.gz IZCBEYDWXGAGOP-UHFFFAOYSA-N -1 3 333.395 2.927 20 30 EFEDHM C=C(CNC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001573294707 946997851 /nfs/dbraw/zinc/99/78/51/946997851.db2.gz IZCBEYDWXGAGOP-UHFFFAOYSA-N -1 3 333.395 2.927 20 30 EFEDHM C=C(CC)CNc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001573294913 947002538 /nfs/dbraw/zinc/00/25/38/947002538.db2.gz MHEHVRFNYAUWBA-UHFFFAOYSA-N -1 3 334.305 2.632 20 30 EFEDHM C=C(CC)CNc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001573294913 947002549 /nfs/dbraw/zinc/00/25/49/947002549.db2.gz MHEHVRFNYAUWBA-UHFFFAOYSA-N -1 3 334.305 2.632 20 30 EFEDHM C=C(CNC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)c1ccccc1 ZINC001573295354 947014643 /nfs/dbraw/zinc/01/46/43/947014643.db2.gz PJXVEGUZKKWGOR-UHFFFAOYSA-N -1 3 333.395 2.927 20 30 EFEDHM C=C(CNC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)c1ccccc1 ZINC001573295354 947014653 /nfs/dbraw/zinc/01/46/53/947014653.db2.gz PJXVEGUZKKWGOR-UHFFFAOYSA-N -1 3 333.395 2.927 20 30 EFEDHM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825879175 947354395 /nfs/dbraw/zinc/35/43/95/947354395.db2.gz ISMSLYYAGSHGLA-YHYXMXQVSA-N -1 3 337.358 2.968 20 30 EFEDHM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000825879175 947354412 /nfs/dbraw/zinc/35/44/12/947354412.db2.gz ISMSLYYAGSHGLA-YHYXMXQVSA-N -1 3 337.358 2.968 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001573327237 947382296 /nfs/dbraw/zinc/38/22/96/947382296.db2.gz AOBQQSYXIPZFCH-UHFFFAOYSA-N -1 3 344.419 2.989 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001573327237 947382309 /nfs/dbraw/zinc/38/23/09/947382309.db2.gz AOBQQSYXIPZFCH-UHFFFAOYSA-N -1 3 344.419 2.989 20 30 EFEDHM C=CCC[C@H](NCC(=O)NCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602719134 971381783 /nfs/dbraw/zinc/38/17/83/971381783.db2.gz RSOYILRWYILTSJ-ZDUSSCGKSA-N -1 3 344.333 2.503 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001573348472 947584403 /nfs/dbraw/zinc/58/44/03/947584403.db2.gz RAEBOEWLQOOLOK-UHFFFAOYSA-N -1 3 340.314 2.790 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001573348472 947584411 /nfs/dbraw/zinc/58/44/11/947584411.db2.gz RAEBOEWLQOOLOK-UHFFFAOYSA-N -1 3 340.314 2.790 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001573351080 947607799 /nfs/dbraw/zinc/60/77/99/947607799.db2.gz JSMBAGZRJYZAAL-CJNGLKHVSA-N -1 3 335.367 2.550 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001573351080 947607806 /nfs/dbraw/zinc/60/78/06/947607806.db2.gz JSMBAGZRJYZAAL-CJNGLKHVSA-N -1 3 335.367 2.550 20 30 EFEDHM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)ccc21 ZINC000826365145 948142294 /nfs/dbraw/zinc/14/22/94/948142294.db2.gz CUFUCEXEXAHWBX-CLTKARDFSA-N -1 3 348.341 2.789 20 30 EFEDHM Cn1cnc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)ccc21 ZINC000826365145 948142301 /nfs/dbraw/zinc/14/23/01/948142301.db2.gz CUFUCEXEXAHWBX-CLTKARDFSA-N -1 3 348.341 2.789 20 30 EFEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)COc2c(F)ccc(F)c21 ZINC000826475726 948377150 /nfs/dbraw/zinc/37/71/50/948377150.db2.gz OJUAZKVYDMZNRO-YRNVUSSQSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)COc2c(F)ccc(F)c21 ZINC000826475726 948377156 /nfs/dbraw/zinc/37/71/56/948377156.db2.gz OJUAZKVYDMZNRO-YRNVUSSQSA-N -1 3 340.289 2.804 20 30 EFEDHM C[C@H]([C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573756846 948823771 /nfs/dbraw/zinc/82/37/71/948823771.db2.gz UNRGCMMYLIIYFN-WDEREUQCSA-N -1 3 326.404 2.995 20 30 EFEDHM C[C@H]([C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573756846 948823785 /nfs/dbraw/zinc/82/37/85/948823785.db2.gz UNRGCMMYLIIYFN-WDEREUQCSA-N -1 3 326.404 2.995 20 30 EFEDHM CC[C@@]1(C(=O)[O-])CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001589606296 949278315 /nfs/dbraw/zinc/27/83/15/949278315.db2.gz IXDDXHCSCGWDGB-GOSISDBHSA-N -1 3 340.383 2.685 20 30 EFEDHM O=C([O-])[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001606382775 973835072 /nfs/dbraw/zinc/83/50/72/973835072.db2.gz SJXFEOMJKCIVJN-CYBMUJFWSA-N -1 3 327.302 2.733 20 30 EFEDHM N#Cc1ccc([C@H](NCc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000739108730 978617870 /nfs/dbraw/zinc/61/78/70/978617870.db2.gz WOCRGFPNKRBHJR-SFHVURJKSA-N -1 3 338.363 2.635 20 30 EFEDHM C#CC[C@@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC001588422997 983449775 /nfs/dbraw/zinc/44/97/75/983449775.db2.gz SUZCUCQKIBJVAX-LLVKDONJSA-N -1 3 348.143 2.617 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001588607310 983700691 /nfs/dbraw/zinc/70/06/91/983700691.db2.gz YUJJPJMFEAHKAE-KRWDZBQOSA-N -1 3 330.428 2.530 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001588607311 983700761 /nfs/dbraw/zinc/70/07/61/983700761.db2.gz YUJJPJMFEAHKAE-QGZVFWFLSA-N -1 3 330.428 2.530 20 30 EFEDHM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H](N)CCCC#N)cc1 ZINC001590481602 990074356 /nfs/dbraw/zinc/07/43/56/990074356.db2.gz JLIKTXDWCWVDAS-HZPDHXFCSA-N -1 3 345.443 2.637 20 30 EFEDHM CO[C@@H]1CCC[C@H]([C@@H](NCC#Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001599109802 997546375 /nfs/dbraw/zinc/54/63/75/997546375.db2.gz KWIJBLAURHVCAM-USXIJHARSA-N -1 3 335.831 2.940 20 30 EFEDHM COC(=O)c1cccc([C@H](NCc2ccc(C)c(C#N)c2)C(=O)[O-])c1 ZINC001598994527 998767065 /nfs/dbraw/zinc/76/70/65/998767065.db2.gz GNFXURXEEISGMK-KRWDZBQOSA-N -1 3 338.363 2.569 20 30 EFEDHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ncc(C#N)cc1F ZINC001573904246 1087906017 /nfs/dbraw/zinc/90/60/17/1087906017.db2.gz NUYUOWJFQNOWGW-UHFFFAOYSA-N -1 3 337.362 2.706 20 30 EFEDHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ncc(C#N)cc1F ZINC001573904246 1087906031 /nfs/dbraw/zinc/90/60/31/1087906031.db2.gz NUYUOWJFQNOWGW-UHFFFAOYSA-N -1 3 337.362 2.706 20 30 EFEDHM C[C@H]1Cc2c(-c3nnn[n-]3)c(NC(=O)[C@@H]3C[C@@H]3C#N)sc2[C@@H](C)C1 ZINC001576383131 1089167449 /nfs/dbraw/zinc/16/74/49/1089167449.db2.gz HHIAQOIKSRVDCP-UTINFBMNSA-N -1 3 342.428 2.712 20 30 EFEDHM C[C@H]1Cc2c(-c3nn[n-]n3)c(NC(=O)[C@@H]3C[C@@H]3C#N)sc2[C@@H](C)C1 ZINC001576383131 1089167457 /nfs/dbraw/zinc/16/74/57/1089167457.db2.gz HHIAQOIKSRVDCP-UTINFBMNSA-N -1 3 342.428 2.712 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C#N)c(OC)c1 ZINC001578495820 1090387196 /nfs/dbraw/zinc/38/71/96/1090387196.db2.gz SAPYDBLIHHJTLQ-UHFFFAOYSA-N -1 3 349.350 2.529 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C#N)c(OC)c1 ZINC001578495820 1090387203 /nfs/dbraw/zinc/38/72/03/1090387203.db2.gz SAPYDBLIHHJTLQ-UHFFFAOYSA-N -1 3 349.350 2.529 20 30 EFEDHM CN(C(=O)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001578927239 1090479114 /nfs/dbraw/zinc/47/91/14/1090479114.db2.gz ZKDCMDLVYLZCJH-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001578927239 1090479117 /nfs/dbraw/zinc/47/91/17/1090479117.db2.gz ZKDCMDLVYLZCJH-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM COc1cc(OC(=O)c2cc(C)c(C#N)c(C)c2)ccc1-c1nnn[n-]1 ZINC001579936045 1090726851 /nfs/dbraw/zinc/72/68/51/1090726851.db2.gz JDQBIFKRMBDNIY-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1cc(OC(=O)c2cc(C)c(C#N)c(C)c2)ccc1-c1nn[n-]n1 ZINC001579936045 1090726854 /nfs/dbraw/zinc/72/68/54/1090726854.db2.gz JDQBIFKRMBDNIY-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1ccc(C#N)cc1CN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001579969199 1090734229 /nfs/dbraw/zinc/73/42/29/1090734229.db2.gz GPMZVYDINREYOT-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1CN1CCCc2cc(C#N)ccc21 ZINC001580624075 1090971962 /nfs/dbraw/zinc/97/19/62/1090971962.db2.gz LXQXGRJUPHHAHE-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1CN1CCCc2cc(C#N)ccc21 ZINC001580624075 1090971970 /nfs/dbraw/zinc/97/19/70/1090971970.db2.gz LXQXGRJUPHHAHE-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001580768714 1091001905 /nfs/dbraw/zinc/00/19/05/1091001905.db2.gz IYZKNNBZEFAAEW-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001580768714 1091001910 /nfs/dbraw/zinc/00/19/10/1091001910.db2.gz IYZKNNBZEFAAEW-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)cc(C)c1-c1nnn[n-]1 ZINC001580814409 1091018842 /nfs/dbraw/zinc/01/88/42/1091018842.db2.gz HILFZXQANAJUGK-OAHLLOKOSA-N -1 3 338.415 2.686 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C#N)C2CCCCC2)cc(C)c1-c1nn[n-]n1 ZINC001580814409 1091018847 /nfs/dbraw/zinc/01/88/47/1091018847.db2.gz HILFZXQANAJUGK-OAHLLOKOSA-N -1 3 338.415 2.686 20 30 EFEDHM Cc1cc(OC(=O)c2cc(C)c(-c3nnn[n-]3)cn2)c(C)c(C)c1C#N ZINC001580888856 1091036728 /nfs/dbraw/zinc/03/67/28/1091036728.db2.gz BZOKLPGABSVSHS-UHFFFAOYSA-N -1 3 348.366 2.586 20 30 EFEDHM Cc1cc(OC(=O)c2cc(C)c(-c3nn[n-]n3)cn2)c(C)c(C)c1C#N ZINC001580888856 1091036734 /nfs/dbraw/zinc/03/67/34/1091036734.db2.gz BZOKLPGABSVSHS-UHFFFAOYSA-N -1 3 348.366 2.586 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1[nH]c2ccccc2c1C#N ZINC001581136907 1091080826 /nfs/dbraw/zinc/08/08/26/1091080826.db2.gz QCQUUGFQUWTNRM-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1[nH]c2ccccc2c1C#N ZINC001581136907 1091080831 /nfs/dbraw/zinc/08/08/31/1091080831.db2.gz QCQUUGFQUWTNRM-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM N#Cc1c(Cl)nsc1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001581860864 1091322356 /nfs/dbraw/zinc/32/23/56/1091322356.db2.gz WZICZYQQLVFURN-UHFFFAOYSA-N -1 3 335.755 2.599 20 30 EFEDHM N#Cc1c(Cl)nsc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001581860864 1091322365 /nfs/dbraw/zinc/32/23/65/1091322365.db2.gz WZICZYQQLVFURN-UHFFFAOYSA-N -1 3 335.755 2.599 20 30 EFEDHM N#Cc1ccc(F)c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC001581872415 1091326545 /nfs/dbraw/zinc/32/65/45/1091326545.db2.gz ZYJMFNLQZHVCMF-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(F)c(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC001581872415 1091326554 /nfs/dbraw/zinc/32/65/54/1091326554.db2.gz ZYJMFNLQZHVCMF-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)ccc1C1CC1 ZINC001581870503 1091327224 /nfs/dbraw/zinc/32/72/24/1091327224.db2.gz FFRGEESRPHHRAV-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)ccc1C1CC1 ZINC001581870503 1091327236 /nfs/dbraw/zinc/32/72/36/1091327236.db2.gz FFRGEESRPHHRAV-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cccc2c1CCCN2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001581875750 1091329414 /nfs/dbraw/zinc/32/94/14/1091329414.db2.gz NORRIOQIIURMAP-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1cccc2c1CCCN2Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001581875750 1091329422 /nfs/dbraw/zinc/32/94/22/1091329422.db2.gz NORRIOQIIURMAP-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1cccc(C(=O)CSc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001581874988 1091329728 /nfs/dbraw/zinc/32/97/28/1091329728.db2.gz QVYBXQOWUGCZKS-UHFFFAOYSA-N -1 3 339.355 2.852 20 30 EFEDHM COc1cccc(S([O-])=CC(=O)O[C@H](CC#N)c2ccco2)c1 ZINC001649267909 1092284952 /nfs/dbraw/zinc/28/49/52/1092284952.db2.gz VWGPTCWPQJVZLC-IQMFZBJNSA-N -1 3 333.365 2.594 20 30 EFEDHM C#C[C@@H](CC)OC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588327619 1092926380 /nfs/dbraw/zinc/92/63/80/1092926380.db2.gz NIUOYNUDVWDSSN-NSHDSACASA-N -1 3 326.381 2.958 20 30 EFEDHM C#C[C@@H](CC)OC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588327619 1092926387 /nfs/dbraw/zinc/92/63/87/1092926387.db2.gz NIUOYNUDVWDSSN-NSHDSACASA-N -1 3 326.381 2.958 20 30 EFEDHM C#C[C@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001588326287 1092926471 /nfs/dbraw/zinc/92/64/71/1092926471.db2.gz IYFKUHNQBYRXCH-LBPRGKRZSA-N -1 3 349.419 2.769 20 30 EFEDHM C#C[C@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001588326287 1092926477 /nfs/dbraw/zinc/92/64/77/1092926477.db2.gz IYFKUHNQBYRXCH-LBPRGKRZSA-N -1 3 349.419 2.769 20 30 EFEDHM C#CC[C@H](CCOC)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001588331159 1092926816 /nfs/dbraw/zinc/92/68/16/1092926816.db2.gz LBJMCHIUXZYMMW-LLVKDONJSA-N -1 3 339.321 2.726 20 30 EFEDHM C#C[C@H](Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC001588328942 1092927053 /nfs/dbraw/zinc/92/70/53/1092927053.db2.gz UICBUINWHKVXSN-ZDUSSCGKSA-N -1 3 338.302 2.700 20 30 EFEDHM C#C[C@H](Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC001588328942 1092927062 /nfs/dbraw/zinc/92/70/62/1092927062.db2.gz UICBUINWHKVXSN-ZDUSSCGKSA-N -1 3 338.302 2.700 20 30 EFEDHM C#CC[C@@H](OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588333777 1092929173 /nfs/dbraw/zinc/92/91/73/1092929173.db2.gz DLSZOSIKSKHTTH-IUODEOHRSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CCC1(C(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)CCCCC1 ZINC001588334676 1092929378 /nfs/dbraw/zinc/92/93/78/1092929378.db2.gz FYCIGPQXPGKWCK-KRWDZBQOSA-N -1 3 349.438 2.944 20 30 EFEDHM C#CCC1(C(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)CCCCC1 ZINC001588334676 1092929384 /nfs/dbraw/zinc/92/93/84/1092929384.db2.gz FYCIGPQXPGKWCK-KRWDZBQOSA-N -1 3 349.438 2.944 20 30 EFEDHM C#CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001588334827 1092929588 /nfs/dbraw/zinc/92/95/88/1092929588.db2.gz MYWXHSQBQFQNCL-UHFFFAOYSA-N -1 3 328.347 2.885 20 30 EFEDHM C#CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001588334827 1092929595 /nfs/dbraw/zinc/92/95/95/1092929595.db2.gz MYWXHSQBQFQNCL-UHFFFAOYSA-N -1 3 328.347 2.885 20 30 EFEDHM C#CCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NC)CCCCC1 ZINC001588334808 1092930291 /nfs/dbraw/zinc/93/02/91/1092930291.db2.gz LZOGXRJQQPTNOT-UHFFFAOYSA-N -1 3 338.415 2.821 20 30 EFEDHM C#CCN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC001588352339 1092931009 /nfs/dbraw/zinc/93/10/09/1092931009.db2.gz ZOGRXZKXFLCTRS-UHFFFAOYSA-N -1 3 336.321 2.663 20 30 EFEDHM C#CCN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CCCC1 ZINC001588352339 1092931015 /nfs/dbraw/zinc/93/10/15/1092931015.db2.gz ZOGRXZKXFLCTRS-UHFFFAOYSA-N -1 3 336.321 2.663 20 30 EFEDHM C#CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001588348889 1092931092 /nfs/dbraw/zinc/93/10/92/1092931092.db2.gz RSHCJRPVUTURED-UHFFFAOYSA-N -1 3 329.791 2.538 20 30 EFEDHM C#CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001588348889 1092931097 /nfs/dbraw/zinc/93/10/97/1092931097.db2.gz RSHCJRPVUTURED-UHFFFAOYSA-N -1 3 329.791 2.538 20 30 EFEDHM C#CCCCOc1cccnc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588345435 1092931775 /nfs/dbraw/zinc/93/17/75/1092931775.db2.gz GRHQVAMVSZEZNM-UHFFFAOYSA-N -1 3 334.383 2.666 20 30 EFEDHM C#CCCCOc1cccnc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588345435 1092931780 /nfs/dbraw/zinc/93/17/80/1092931780.db2.gz GRHQVAMVSZEZNM-UHFFFAOYSA-N -1 3 334.383 2.666 20 30 EFEDHM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCC ZINC001588345011 1092931861 /nfs/dbraw/zinc/93/18/61/1092931861.db2.gz MNUFNJIOHGZTSK-UHFFFAOYSA-N -1 3 326.404 2.821 20 30 EFEDHM C#CCOc1ccccc1CNc1cc(-c2nnn[n-]2)ccc1C(C)=O ZINC001588363222 1092932013 /nfs/dbraw/zinc/93/20/13/1092932013.db2.gz SHULSXCDDCOOSX-UHFFFAOYSA-N -1 3 347.378 2.693 20 30 EFEDHM C#CCOc1ccccc1CNc1cc(-c2nn[n-]n2)ccc1C(C)=O ZINC001588363222 1092932016 /nfs/dbraw/zinc/93/20/16/1092932016.db2.gz SHULSXCDDCOOSX-UHFFFAOYSA-N -1 3 347.378 2.693 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001588376501 1092934545 /nfs/dbraw/zinc/93/45/45/1092934545.db2.gz HCICECZIMYZVSW-UHFFFAOYSA-N -1 3 337.408 2.708 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC001588376501 1092934551 /nfs/dbraw/zinc/93/45/51/1092934551.db2.gz HCICECZIMYZVSW-UHFFFAOYSA-N -1 3 337.408 2.708 20 30 EFEDHM C(=NNCC1CCCC1)c1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001588381952 1092937561 /nfs/dbraw/zinc/93/75/61/1092937561.db2.gz YEKBSGYEBJPTGG-UHFFFAOYSA-N -1 3 349.442 2.830 20 30 EFEDHM C(=NNCC1CCCC1)c1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001588381952 1092937564 /nfs/dbraw/zinc/93/75/64/1092937564.db2.gz YEKBSGYEBJPTGG-UHFFFAOYSA-N -1 3 349.442 2.830 20 30 EFEDHM C=C(C)[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)c(C)c1)OCC ZINC001588400885 1092939799 /nfs/dbraw/zinc/93/97/99/1092939799.db2.gz IEJXSDBGKLERBF-HNNXBMFYSA-N -1 3 330.388 2.590 20 30 EFEDHM C=C(C)[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)c(C)c1)OCC ZINC001588400885 1092939807 /nfs/dbraw/zinc/93/98/07/1092939807.db2.gz IEJXSDBGKLERBF-HNNXBMFYSA-N -1 3 330.388 2.590 20 30 EFEDHM C=C(C)CCC(=O)N(C)C[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588410127 1092941859 /nfs/dbraw/zinc/94/18/59/1092941859.db2.gz MFKATVMUDJTNCJ-GFCCVEGCSA-N -1 3 346.410 2.621 20 30 EFEDHM C=C(C)CCC(=O)N(C)C[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588410127 1092941870 /nfs/dbraw/zinc/94/18/70/1092941870.db2.gz MFKATVMUDJTNCJ-GFCCVEGCSA-N -1 3 346.410 2.621 20 30 EFEDHM C=C(C)[C@@H](CC(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21)OCC ZINC001588403095 1092942023 /nfs/dbraw/zinc/94/20/23/1092942023.db2.gz VAVVNGYVGHJGQM-MRXNPFEDSA-N -1 3 341.415 2.517 20 30 EFEDHM C=C(C)[C@@H](CC(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21)OCC ZINC001588403095 1092942036 /nfs/dbraw/zinc/94/20/36/1092942036.db2.gz VAVVNGYVGHJGQM-MRXNPFEDSA-N -1 3 341.415 2.517 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)c1ncccc1-c1nnn[n-]1 ZINC001588429818 1092944888 /nfs/dbraw/zinc/94/48/88/1092944888.db2.gz HENRJGRPXPWRFG-UHFFFAOYSA-N -1 3 338.419 2.622 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)c1ncccc1-c1nn[n-]n1 ZINC001588429818 1092944895 /nfs/dbraw/zinc/94/48/95/1092944895.db2.gz HENRJGRPXPWRFG-UHFFFAOYSA-N -1 3 338.419 2.622 20 30 EFEDHM C=C(C)CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588430512 1092945641 /nfs/dbraw/zinc/94/56/41/1092945641.db2.gz QRZLCHDQHTVRLZ-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=C(C)CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588430512 1092945649 /nfs/dbraw/zinc/94/56/49/1092945649.db2.gz QRZLCHDQHTVRLZ-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=C(C)COCCNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001588428807 1092945846 /nfs/dbraw/zinc/94/58/46/1092945846.db2.gz CIGFNDOKBLBWGM-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=C(C)COCCNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001588428807 1092945857 /nfs/dbraw/zinc/94/58/57/1092945857.db2.gz CIGFNDOKBLBWGM-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=C(CC)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588443282 1092946542 /nfs/dbraw/zinc/94/65/42/1092946542.db2.gz XKQNKJYXOFPEDZ-UHFFFAOYSA-N -1 3 327.266 2.670 20 30 EFEDHM C=C(CC)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588443282 1092946551 /nfs/dbraw/zinc/94/65/51/1092946551.db2.gz XKQNKJYXOFPEDZ-UHFFFAOYSA-N -1 3 327.266 2.670 20 30 EFEDHM C=C1CC(c2noc([C@@H](C#N)Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC001588456025 1092947079 /nfs/dbraw/zinc/94/70/79/1092947079.db2.gz GIKQHLVPQVHXDD-CQSZACIVSA-N -1 3 333.355 2.533 20 30 EFEDHM C=C1CC(c2noc([C@@H](C#N)Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC001588456025 1092947092 /nfs/dbraw/zinc/94/70/92/1092947092.db2.gz GIKQHLVPQVHXDD-CQSZACIVSA-N -1 3 333.355 2.533 20 30 EFEDHM C=C1CC(c2noc([C@H](C#N)Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC001588456024 1092947782 /nfs/dbraw/zinc/94/77/82/1092947782.db2.gz GIKQHLVPQVHXDD-AWEZNQCLSA-N -1 3 333.355 2.533 20 30 EFEDHM C=C1CC(c2noc([C@H](C#N)Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC001588456024 1092947787 /nfs/dbraw/zinc/94/77/87/1092947787.db2.gz GIKQHLVPQVHXDD-AWEZNQCLSA-N -1 3 333.355 2.533 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001588486680 1092949603 /nfs/dbraw/zinc/94/96/03/1092949603.db2.gz HZNKLELXAOBXCL-UHFFFAOYSA-N -1 3 334.811 2.637 20 30 EFEDHM C=CC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588482176 1092950411 /nfs/dbraw/zinc/95/04/11/1092950411.db2.gz RSYLWFKMKYQRBO-UHFFFAOYSA-N -1 3 336.193 2.780 20 30 EFEDHM C=CC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588482176 1092950417 /nfs/dbraw/zinc/95/04/17/1092950417.db2.gz RSYLWFKMKYQRBO-UHFFFAOYSA-N -1 3 336.193 2.780 20 30 EFEDHM C=C[C@H](C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588468007 1092950486 /nfs/dbraw/zinc/95/04/86/1092950486.db2.gz OVIVVGSKWPQDBX-AWEZNQCLSA-N -1 3 335.367 2.784 20 30 EFEDHM C=C[C@H](C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588468007 1092950492 /nfs/dbraw/zinc/95/04/92/1092950492.db2.gz OVIVVGSKWPQDBX-AWEZNQCLSA-N -1 3 335.367 2.784 20 30 EFEDHM C=C1CCC(C(=O)NCc2ccc(SC)c(-c3nnn[n-]3)c2)CC1 ZINC001588462160 1092950759 /nfs/dbraw/zinc/95/07/59/1092950759.db2.gz GNAZMTPFUGICHK-UHFFFAOYSA-N -1 3 343.456 2.951 20 30 EFEDHM C=C1CCC(C(=O)NCc2ccc(SC)c(-c3nn[n-]n3)c2)CC1 ZINC001588462160 1092950770 /nfs/dbraw/zinc/95/07/70/1092950770.db2.gz GNAZMTPFUGICHK-UHFFFAOYSA-N -1 3 343.456 2.951 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588486700 1092950795 /nfs/dbraw/zinc/95/07/95/1092950795.db2.gz IQUOOHIGLKZJIT-UHFFFAOYSA-N -1 3 329.404 2.598 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588486700 1092950804 /nfs/dbraw/zinc/95/08/04/1092950804.db2.gz IQUOOHIGLKZJIT-UHFFFAOYSA-N -1 3 329.404 2.598 20 30 EFEDHM C=C1CCC(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC001588462214 1092950928 /nfs/dbraw/zinc/95/09/28/1092950928.db2.gz IPPHDBOUUXDSRW-UHFFFAOYSA-N -1 3 342.403 2.743 20 30 EFEDHM C=C1CCC(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC001588462214 1092950936 /nfs/dbraw/zinc/95/09/36/1092950936.db2.gz IPPHDBOUUXDSRW-UHFFFAOYSA-N -1 3 342.403 2.743 20 30 EFEDHM C=C[C@H](C)ONC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588518660 1092951482 /nfs/dbraw/zinc/95/14/82/1092951482.db2.gz INQZVRVBUFGPIB-ZDUSSCGKSA-N -1 3 344.419 2.540 20 30 EFEDHM C=C[C@H](C)ONC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588518660 1092951492 /nfs/dbraw/zinc/95/14/92/1092951492.db2.gz INQZVRVBUFGPIB-ZDUSSCGKSA-N -1 3 344.419 2.540 20 30 EFEDHM C=CC(C)(C)CNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001588488726 1092952301 /nfs/dbraw/zinc/95/23/01/1092952301.db2.gz NWTBRPLPDQKMHH-UHFFFAOYSA-N -1 3 343.435 2.575 20 30 EFEDHM C=CC(C)(C)CNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001588488726 1092952307 /nfs/dbraw/zinc/95/23/07/1092952307.db2.gz NWTBRPLPDQKMHH-UHFFFAOYSA-N -1 3 343.435 2.575 20 30 EFEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588518846 1092953024 /nfs/dbraw/zinc/95/30/24/1092953024.db2.gz MERUCBKLOBQVSH-SNVBAGLBSA-N -1 3 346.391 2.672 20 30 EFEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588518846 1092953029 /nfs/dbraw/zinc/95/30/29/1092953029.db2.gz MERUCBKLOBQVSH-SNVBAGLBSA-N -1 3 346.391 2.672 20 30 EFEDHM C=C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC001588525845 1092953212 /nfs/dbraw/zinc/95/32/12/1092953212.db2.gz LLQKOFPDUZFHET-HNNXBMFYSA-N -1 3 336.351 2.959 20 30 EFEDHM C=C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC001588525845 1092953222 /nfs/dbraw/zinc/95/32/22/1092953222.db2.gz LLQKOFPDUZFHET-HNNXBMFYSA-N -1 3 336.351 2.959 20 30 EFEDHM C=C[C@H](CC)CC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588520364 1092953559 /nfs/dbraw/zinc/95/35/59/1092953559.db2.gz ARIKAZLXSIZCOF-CYBMUJFWSA-N -1 3 327.432 2.906 20 30 EFEDHM C=C[C@H](CC)CC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588520364 1092953567 /nfs/dbraw/zinc/95/35/67/1092953567.db2.gz ARIKAZLXSIZCOF-CYBMUJFWSA-N -1 3 327.432 2.906 20 30 EFEDHM C=CCC(C)(C)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588539466 1092954778 /nfs/dbraw/zinc/95/47/78/1092954778.db2.gz LYZKKJPORGOJAG-UHFFFAOYSA-N -1 3 330.388 2.781 20 30 EFEDHM C=CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)CC1 ZINC001588527443 1092956343 /nfs/dbraw/zinc/95/63/43/1092956343.db2.gz KIXRAJISASMWQB-UHFFFAOYSA-N -1 3 330.367 2.744 20 30 EFEDHM C=CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)CC1 ZINC001588527443 1092956347 /nfs/dbraw/zinc/95/63/47/1092956347.db2.gz KIXRAJISASMWQB-UHFFFAOYSA-N -1 3 330.367 2.744 20 30 EFEDHM C=CC[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001588532273 1092956397 /nfs/dbraw/zinc/95/63/97/1092956397.db2.gz RHIJWHVFQCQCEG-INIZCTEOSA-N -1 3 335.367 2.665 20 30 EFEDHM C=CC[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001588532273 1092956412 /nfs/dbraw/zinc/95/64/12/1092956412.db2.gz RHIJWHVFQCQCEG-INIZCTEOSA-N -1 3 335.367 2.665 20 30 EFEDHM C=CCC1(CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC001588556666 1092957590 /nfs/dbraw/zinc/95/75/90/1092957590.db2.gz CBHRDFWOWIBAJJ-UHFFFAOYSA-N -1 3 346.822 2.781 20 30 EFEDHM C=CCC1(CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC001588556666 1092957599 /nfs/dbraw/zinc/95/75/99/1092957599.db2.gz CBHRDFWOWIBAJJ-UHFFFAOYSA-N -1 3 346.822 2.781 20 30 EFEDHM C=CCC(F)(F)C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001588546029 1092958409 /nfs/dbraw/zinc/95/84/09/1092958409.db2.gz VLLYXTVRBKWADS-UHFFFAOYSA-N -1 3 333.342 2.964 20 30 EFEDHM C=CCC(F)(F)C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001588546029 1092958417 /nfs/dbraw/zinc/95/84/17/1092958417.db2.gz VLLYXTVRBKWADS-UHFFFAOYSA-N -1 3 333.342 2.964 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588545755 1092958488 /nfs/dbraw/zinc/95/84/88/1092958488.db2.gz NEEARBZIMOKWMM-QGZVFWFLSA-N -1 3 333.395 2.784 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588545755 1092958492 /nfs/dbraw/zinc/95/84/92/1092958492.db2.gz NEEARBZIMOKWMM-QGZVFWFLSA-N -1 3 333.395 2.784 20 30 EFEDHM C=CCC1(C(=O)Nc2cnc(OC)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001588556950 1092958527 /nfs/dbraw/zinc/95/85/27/1092958527.db2.gz WBILNVLZTIMSSA-UHFFFAOYSA-N -1 3 342.403 2.735 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588558734 1092961452 /nfs/dbraw/zinc/96/14/52/1092961452.db2.gz CEHMRQYOEWJUML-XOKHGSTOSA-N -1 3 337.427 2.785 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588558734 1092961461 /nfs/dbraw/zinc/96/14/61/1092961461.db2.gz CEHMRQYOEWJUML-XOKHGSTOSA-N -1 3 337.427 2.785 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001588560407 1092961472 /nfs/dbraw/zinc/96/14/72/1092961472.db2.gz PYSOVNHMSXGSNP-CMPLNLGQSA-N -1 3 346.822 2.780 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001588565289 1092962751 /nfs/dbraw/zinc/96/27/51/1092962751.db2.gz YRSAOWSXTJRWAU-LBPRGKRZSA-N -1 3 329.408 2.606 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001588565289 1092962763 /nfs/dbraw/zinc/96/27/63/1092962763.db2.gz YRSAOWSXTJRWAU-LBPRGKRZSA-N -1 3 329.408 2.606 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588564699 1092962805 /nfs/dbraw/zinc/96/28/05/1092962805.db2.gz QXRCFDCSUKWMQU-SNVBAGLBSA-N -1 3 332.795 2.950 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588564699 1092962814 /nfs/dbraw/zinc/96/28/14/1092962814.db2.gz QXRCFDCSUKWMQU-SNVBAGLBSA-N -1 3 332.795 2.950 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588565219 1092963240 /nfs/dbraw/zinc/96/32/40/1092963240.db2.gz XCKVFKSOOZPQHD-OLZOCXBDSA-N -1 3 326.404 2.535 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588565219 1092963246 /nfs/dbraw/zinc/96/32/46/1092963246.db2.gz XCKVFKSOOZPQHD-OLZOCXBDSA-N -1 3 326.404 2.535 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588580047 1092965407 /nfs/dbraw/zinc/96/54/07/1092965407.db2.gz YFQJDTOOZVJWMJ-INIZCTEOSA-N -1 3 339.443 2.983 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588580047 1092965411 /nfs/dbraw/zinc/96/54/11/1092965411.db2.gz YFQJDTOOZVJWMJ-INIZCTEOSA-N -1 3 339.443 2.983 20 30 EFEDHM C=CCCCCCCNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588594546 1092966473 /nfs/dbraw/zinc/96/64/73/1092966473.db2.gz VXRUTVNDPNRNTA-AWEZNQCLSA-N -1 3 343.431 2.887 20 30 EFEDHM C=CCCCCCCNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588594546 1092966483 /nfs/dbraw/zinc/96/64/83/1092966483.db2.gz VXRUTVNDPNRNTA-AWEZNQCLSA-N -1 3 343.431 2.887 20 30 EFEDHM C=CCCCCCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588596012 1092966667 /nfs/dbraw/zinc/96/66/67/1092966667.db2.gz DYYRKKLJFYFYBJ-UHFFFAOYSA-N -1 3 332.383 2.551 20 30 EFEDHM C=CCCCCCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588596012 1092966678 /nfs/dbraw/zinc/96/66/78/1092966678.db2.gz DYYRKKLJFYFYBJ-UHFFFAOYSA-N -1 3 332.383 2.551 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588594957 1092966717 /nfs/dbraw/zinc/96/67/17/1092966717.db2.gz WVCGWIVSDQYQFM-AWEZNQCLSA-N -1 3 327.432 2.887 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588594957 1092966728 /nfs/dbraw/zinc/96/67/28/1092966728.db2.gz WVCGWIVSDQYQFM-AWEZNQCLSA-N -1 3 327.432 2.887 20 30 EFEDHM C=CCCCNC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588600787 1092966820 /nfs/dbraw/zinc/96/68/20/1092966820.db2.gz PWWHGRSQQFBQOP-UHFFFAOYSA-N -1 3 328.420 2.755 20 30 EFEDHM C=CCCCNC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588600787 1092966827 /nfs/dbraw/zinc/96/68/27/1092966827.db2.gz PWWHGRSQQFBQOP-UHFFFAOYSA-N -1 3 328.420 2.755 20 30 EFEDHM C=CCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001588600733 1092966889 /nfs/dbraw/zinc/96/68/89/1092966889.db2.gz OALLUMQFGVBEPC-UHFFFAOYSA-N -1 3 338.318 2.556 20 30 EFEDHM C=CCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001588600733 1092966896 /nfs/dbraw/zinc/96/68/96/1092966896.db2.gz OALLUMQFGVBEPC-UHFFFAOYSA-N -1 3 338.318 2.556 20 30 EFEDHM C=CCCC[C@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588594036 1092967313 /nfs/dbraw/zinc/96/73/13/1092967313.db2.gz KAYSHSZBVVSCAY-BBRMVZONSA-N -1 3 339.399 2.837 20 30 EFEDHM C=CCCC[C@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588594036 1092967318 /nfs/dbraw/zinc/96/73/18/1092967318.db2.gz KAYSHSZBVVSCAY-BBRMVZONSA-N -1 3 339.399 2.837 20 30 EFEDHM C=CCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588594582 1092968207 /nfs/dbraw/zinc/96/82/07/1092968207.db2.gz WVTGQGYRSXZIGN-UHFFFAOYSA-N -1 3 329.404 2.694 20 30 EFEDHM C=CCCCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588594582 1092968213 /nfs/dbraw/zinc/96/82/13/1092968213.db2.gz WVTGQGYRSXZIGN-UHFFFAOYSA-N -1 3 329.404 2.694 20 30 EFEDHM C=CCCO[C@H](C)C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001588610624 1092968991 /nfs/dbraw/zinc/96/89/91/1092968991.db2.gz IUPCZINNTYOWAX-GFCCVEGCSA-N -1 3 337.383 2.940 20 30 EFEDHM C=CCCO[C@H](C)C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001588610624 1092968998 /nfs/dbraw/zinc/96/89/98/1092968998.db2.gz IUPCZINNTYOWAX-GFCCVEGCSA-N -1 3 337.383 2.940 20 30 EFEDHM C=CCCSCCNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC001588621000 1092969018 /nfs/dbraw/zinc/96/90/18/1092969018.db2.gz QEGVWBBRFVNGQO-UHFFFAOYSA-N -1 3 326.429 2.558 20 30 EFEDHM C=CCCSCCNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC001588621000 1092969027 /nfs/dbraw/zinc/96/90/27/1092969027.db2.gz QEGVWBBRFVNGQO-UHFFFAOYSA-N -1 3 326.429 2.558 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)OCCCC ZINC001588639769 1092973048 /nfs/dbraw/zinc/97/30/48/1092973048.db2.gz WPZMHGBKNOZQSN-AWEZNQCLSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)OCCCC ZINC001588639769 1092973060 /nfs/dbraw/zinc/97/30/60/1092973060.db2.gz WPZMHGBKNOZQSN-AWEZNQCLSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588653542 1092973950 /nfs/dbraw/zinc/97/39/50/1092973950.db2.gz LFHZVARDISGVER-UHFFFAOYSA-N -1 3 343.387 2.896 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588653542 1092973958 /nfs/dbraw/zinc/97/39/58/1092973958.db2.gz LFHZVARDISGVER-UHFFFAOYSA-N -1 3 343.387 2.896 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588654806 1092974844 /nfs/dbraw/zinc/97/48/44/1092974844.db2.gz NYPAZJUKLGKIHC-KRWDZBQOSA-N -1 3 332.367 2.619 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588654806 1092974855 /nfs/dbraw/zinc/97/48/55/1092974855.db2.gz NYPAZJUKLGKIHC-KRWDZBQOSA-N -1 3 332.367 2.619 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588653676 1092975671 /nfs/dbraw/zinc/97/56/71/1092975671.db2.gz TWERGBNNHPXXCN-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588653676 1092975683 /nfs/dbraw/zinc/97/56/83/1092975683.db2.gz TWERGBNNHPXXCN-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCOc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001588689122 1092978047 /nfs/dbraw/zinc/97/80/47/1092978047.db2.gz ZCKUQMFGOMLRIN-UHFFFAOYSA-N -1 3 326.335 2.578 20 30 EFEDHM C=CCOc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001588689122 1092978062 /nfs/dbraw/zinc/97/80/62/1092978062.db2.gz ZCKUQMFGOMLRIN-UHFFFAOYSA-N -1 3 326.335 2.578 20 30 EFEDHM C=CCNC(=S)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588664187 1092978364 /nfs/dbraw/zinc/97/83/64/1092978364.db2.gz UPALCERMNJBASE-UHFFFAOYSA-N -1 3 332.433 2.516 20 30 EFEDHM C=CCNC(=S)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588664187 1092978375 /nfs/dbraw/zinc/97/83/75/1092978375.db2.gz UPALCERMNJBASE-UHFFFAOYSA-N -1 3 332.433 2.516 20 30 EFEDHM C=CCn1c(Sc2cc(F)ccc2-c2nnn[n-]2)nnc1C1CC1 ZINC001588711119 1092979764 /nfs/dbraw/zinc/97/97/64/1092979764.db2.gz JQMKFPOOTQYCCZ-UHFFFAOYSA-N -1 3 343.391 2.812 20 30 EFEDHM C=CCn1c(Sc2cc(F)ccc2-c2nn[n-]n2)nnc1C1CC1 ZINC001588711119 1092979774 /nfs/dbraw/zinc/97/97/74/1092979774.db2.gz JQMKFPOOTQYCCZ-UHFFFAOYSA-N -1 3 343.391 2.812 20 30 EFEDHM C=CCc1ccccc1OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588694255 1092980769 /nfs/dbraw/zinc/98/07/69/1092980769.db2.gz FXBWIWPYCPADFF-UHFFFAOYSA-N -1 3 336.351 2.580 20 30 EFEDHM C=CCc1ccccc1OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588694255 1092980776 /nfs/dbraw/zinc/98/07/76/1092980776.db2.gz FXBWIWPYCPADFF-UHFFFAOYSA-N -1 3 336.351 2.580 20 30 EFEDHM C=CCOc1ccccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC001588689749 1092980862 /nfs/dbraw/zinc/98/08/62/1092980862.db2.gz LXMPOQGBSZNCPH-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOc1ccccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC001588689749 1092980871 /nfs/dbraw/zinc/98/08/71/1092980871.db2.gz LXMPOQGBSZNCPH-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCONC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001588689884 1092981635 /nfs/dbraw/zinc/98/16/35/1092981635.db2.gz UKIHCPJDVGABCF-UHFFFAOYSA-N -1 3 337.339 2.506 20 30 EFEDHM C=CCONC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001588689884 1092981644 /nfs/dbraw/zinc/98/16/44/1092981644.db2.gz UKIHCPJDVGABCF-UHFFFAOYSA-N -1 3 337.339 2.506 20 30 EFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccnn1-c1ccccc1 ZINC001588780744 1092991290 /nfs/dbraw/zinc/99/12/90/1092991290.db2.gz LWOCJCXIGLCHTK-UHFFFAOYSA-N -1 3 344.382 2.889 20 30 EFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccnn1-c1ccccc1 ZINC001588780744 1092991297 /nfs/dbraw/zinc/99/12/97/1092991297.db2.gz LWOCJCXIGLCHTK-UHFFFAOYSA-N -1 3 344.382 2.889 20 30 EFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(Cl)cn1 ZINC001588777231 1092991726 /nfs/dbraw/zinc/99/17/26/1092991726.db2.gz JAWOYQKXXLKUNI-UHFFFAOYSA-N -1 3 349.185 2.800 20 30 EFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(Cl)cn1 ZINC001588777231 1092991734 /nfs/dbraw/zinc/99/17/34/1092991734.db2.gz JAWOYQKXXLKUNI-UHFFFAOYSA-N -1 3 349.185 2.800 20 30 EFEDHM CC(=NN[C@@H]1CC(C)(C)OC1(C)C)c1ccc(-c2nnn[n-]2)s1 ZINC001588776655 1092991902 /nfs/dbraw/zinc/99/19/02/1092991902.db2.gz ZQOUMQCIYWNLEJ-GFCCVEGCSA-N -1 3 334.449 2.588 20 30 EFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(C#N)cc1C ZINC001588893847 1093001756 /nfs/dbraw/zinc/00/17/56/1093001756.db2.gz SNHXBKNVLIHTHI-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(C#N)cc1C ZINC001588893847 1093001760 /nfs/dbraw/zinc/00/17/60/1093001760.db2.gz SNHXBKNVLIHTHI-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588920753 1093013172 /nfs/dbraw/zinc/01/31/72/1093013172.db2.gz YZLSHLSCISSIGW-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588920753 1093013175 /nfs/dbraw/zinc/01/31/75/1093013175.db2.gz YZLSHLSCISSIGW-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CN2Cc3cccc(-c4nnn[n-]4)c3C2)cc1 ZINC001588936315 1093015712 /nfs/dbraw/zinc/01/57/12/1093015712.db2.gz IAWJKOSXNCDWDC-CYBMUJFWSA-N -1 3 346.394 2.673 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CN2Cc3cccc(-c4nn[n-]n4)c3C2)cc1 ZINC001588936315 1093015717 /nfs/dbraw/zinc/01/57/17/1093015717.db2.gz IAWJKOSXNCDWDC-CYBMUJFWSA-N -1 3 346.394 2.673 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CN2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001588935986 1093016361 /nfs/dbraw/zinc/01/63/61/1093016361.db2.gz CBYAJDAFEGATKJ-CYBMUJFWSA-N -1 3 346.394 2.673 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001589033856 1093019678 /nfs/dbraw/zinc/01/96/78/1093019678.db2.gz LHPAGJZPXFZFFG-UHFFFAOYSA-N -1 3 339.399 2.771 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001589033856 1093019684 /nfs/dbraw/zinc/01/96/84/1093019684.db2.gz LHPAGJZPXFZFFG-UHFFFAOYSA-N -1 3 339.399 2.771 20 30 EFEDHM CC(C)(C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589059167 1093023772 /nfs/dbraw/zinc/02/37/72/1093023772.db2.gz PAKMWDAAMLHLKR-WFASDCNBSA-N -1 3 339.399 2.770 20 30 EFEDHM CC(C)(C(=O)O[C@H]1CCC[C@H](C#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589059167 1093023775 /nfs/dbraw/zinc/02/37/75/1093023775.db2.gz PAKMWDAAMLHLKR-WFASDCNBSA-N -1 3 339.399 2.770 20 30 EFEDHM CC(C)(C)[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCO1 ZINC001589095583 1093027451 /nfs/dbraw/zinc/02/74/51/1093027451.db2.gz BZGFYBHERRAUAP-LLVKDONJSA-N -1 3 349.826 2.908 20 30 EFEDHM CC(C)(C)[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCO1 ZINC001589095583 1093027455 /nfs/dbraw/zinc/02/74/55/1093027455.db2.gz BZGFYBHERRAUAP-LLVKDONJSA-N -1 3 349.826 2.908 20 30 EFEDHM CC(C)[C@@H]1C[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589499063 1093095023 /nfs/dbraw/zinc/09/50/23/1093095023.db2.gz HLXKLZVDVJCADY-DOMZBBRYSA-N -1 3 326.404 2.601 20 30 EFEDHM CC(C)[C@@H]1C[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589499063 1093095026 /nfs/dbraw/zinc/09/50/26/1093095026.db2.gz HLXKLZVDVJCADY-DOMZBBRYSA-N -1 3 326.404 2.601 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589600753 1093113593 /nfs/dbraw/zinc/11/35/93/1093113593.db2.gz VPZCXLSNXUMVPT-UHFFFAOYSA-N -1 3 346.822 2.922 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589600753 1093113600 /nfs/dbraw/zinc/11/36/00/1093113600.db2.gz VPZCXLSNXUMVPT-UHFFFAOYSA-N -1 3 346.822 2.922 20 30 EFEDHM CC(F)(F)CCCOC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589910701 1093178304 /nfs/dbraw/zinc/17/83/04/1093178304.db2.gz XMUYATMDRWYPNU-ZDUSSCGKSA-N -1 3 349.341 2.528 20 30 EFEDHM CC(F)(F)CCCOC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589910701 1093178310 /nfs/dbraw/zinc/17/83/10/1093178310.db2.gz XMUYATMDRWYPNU-ZDUSSCGKSA-N -1 3 349.341 2.528 20 30 EFEDHM C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589917999 1093178677 /nfs/dbraw/zinc/17/86/77/1093178677.db2.gz IIAJRDBVUOAZQL-CXAGYDPISA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589917999 1093178681 /nfs/dbraw/zinc/17/86/81/1093178681.db2.gz IIAJRDBVUOAZQL-CXAGYDPISA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001589937121 1093186774 /nfs/dbraw/zinc/18/67/74/1093186774.db2.gz WUYQJCVZFTTYOW-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001589937121 1093186777 /nfs/dbraw/zinc/18/67/77/1093186777.db2.gz WUYQJCVZFTTYOW-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001589978245 1093206198 /nfs/dbraw/zinc/20/61/98/1093206198.db2.gz KACIKQRVVRZZEU-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001589978245 1093206200 /nfs/dbraw/zinc/20/62/00/1093206200.db2.gz KACIKQRVVRZZEU-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC001590006015 1093216792 /nfs/dbraw/zinc/21/67/92/1093216792.db2.gz PVLWIQNQBPBCSI-SGTLLEGYSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC001590006015 1093216801 /nfs/dbraw/zinc/21/68/01/1093216801.db2.gz PVLWIQNQBPBCSI-SGTLLEGYSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC001590006013 1093216874 /nfs/dbraw/zinc/21/68/74/1093216874.db2.gz PVLWIQNQBPBCSI-KZULUSFZSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC001590006013 1093216879 /nfs/dbraw/zinc/21/68/79/1093216879.db2.gz PVLWIQNQBPBCSI-KZULUSFZSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C1CCCCC1 ZINC001590036827 1093229219 /nfs/dbraw/zinc/22/92/19/1093229219.db2.gz BNJGIHGHCFOYEB-VIFPVBQESA-N -1 3 329.433 2.776 20 30 EFEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C1CCCCC1 ZINC001590036827 1093229228 /nfs/dbraw/zinc/22/92/28/1093229228.db2.gz BNJGIHGHCFOYEB-VIFPVBQESA-N -1 3 329.433 2.776 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(CC#N)cc1 ZINC001590044595 1093238128 /nfs/dbraw/zinc/23/81/28/1093238128.db2.gz WNYMQGBRTPOUBA-ZDUSSCGKSA-N -1 3 346.394 2.766 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(CC#N)cc1 ZINC001590044595 1093238135 /nfs/dbraw/zinc/23/81/35/1093238135.db2.gz WNYMQGBRTPOUBA-ZDUSSCGKSA-N -1 3 346.394 2.766 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001590051158 1093245999 /nfs/dbraw/zinc/24/59/99/1093245999.db2.gz VZJINIXFICOEIZ-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001590051158 1093246004 /nfs/dbraw/zinc/24/60/04/1093246004.db2.gz VZJINIXFICOEIZ-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@]1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)C1 ZINC001590054786 1093247188 /nfs/dbraw/zinc/24/71/88/1093247188.db2.gz NTZKHJXEEOVYRS-MRXNPFEDSA-N -1 3 339.790 2.808 20 30 EFEDHM C[C@]1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)C1 ZINC001590054786 1093247195 /nfs/dbraw/zinc/24/71/95/1093247195.db2.gz NTZKHJXEEOVYRS-MRXNPFEDSA-N -1 3 339.790 2.808 20 30 EFEDHM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001590055695 1093247850 /nfs/dbraw/zinc/24/78/50/1093247850.db2.gz WFBVVEBLKQILHW-OAHLLOKOSA-N -1 3 345.794 2.678 20 30 EFEDHM C[C@]1(C#N)CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001590055695 1093247855 /nfs/dbraw/zinc/24/78/55/1093247855.db2.gz WFBVVEBLKQILHW-OAHLLOKOSA-N -1 3 345.794 2.678 20 30 EFEDHM CC1(C)CCC[C@@H]1OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590094780 1093265145 /nfs/dbraw/zinc/26/51/45/1093265145.db2.gz KPUJIIDBEXGRCS-CABCVRRESA-N -1 3 339.399 2.671 20 30 EFEDHM CC1(C)CCC[C@@H]1OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590094780 1093265154 /nfs/dbraw/zinc/26/51/54/1093265154.db2.gz KPUJIIDBEXGRCS-CABCVRRESA-N -1 3 339.399 2.671 20 30 EFEDHM CC1(C)CCCC[C@@H]1NN=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001590098009 1093268522 /nfs/dbraw/zinc/26/85/22/1093268522.db2.gz YYSSKSOIOPLNTC-HNNXBMFYSA-N -1 3 339.447 2.861 20 30 EFEDHM CC1(C)CCCC[C@@H]1NN=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001590098009 1093268528 /nfs/dbraw/zinc/26/85/28/1093268528.db2.gz YYSSKSOIOPLNTC-HNNXBMFYSA-N -1 3 339.447 2.861 20 30 EFEDHM C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)[C@@H]1c1ccccc1 ZINC001590164985 1093291038 /nfs/dbraw/zinc/29/10/38/1093291038.db2.gz JFGCZBVLTPQYGN-MZPVMMEZSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)[C@@H]1c1ccccc1 ZINC001590164985 1093291048 /nfs/dbraw/zinc/29/10/48/1093291048.db2.gz JFGCZBVLTPQYGN-MZPVMMEZSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1CN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)[C@@H]1C ZINC001590316129 1093372453 /nfs/dbraw/zinc/37/24/53/1093372453.db2.gz KIPVIWDLRSIXPX-VXGBXAGGSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@@H]1CN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)[C@@H]1C ZINC001590316129 1093372460 /nfs/dbraw/zinc/37/24/60/1093372460.db2.gz KIPVIWDLRSIXPX-VXGBXAGGSA-N -1 3 337.431 2.637 20 30 EFEDHM CCC(N=Nc1cc(Cl)nc(C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358744 1093390142 /nfs/dbraw/zinc/39/01/42/1093390142.db2.gz FMYHKXZCCRSMDJ-UHFFFAOYSA-N -1 3 342.794 2.845 20 30 EFEDHM CCC(N=Nc1cc(Cl)nc(C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358744 1093390148 /nfs/dbraw/zinc/39/01/48/1093390148.db2.gz FMYHKXZCCRSMDJ-UHFFFAOYSA-N -1 3 342.794 2.845 20 30 EFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001590367256 1093392499 /nfs/dbraw/zinc/39/24/99/1093392499.db2.gz JPGVHSPCYYEABK-JTQLQIEISA-N -1 3 328.376 2.532 20 30 EFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001590367256 1093392514 /nfs/dbraw/zinc/39/25/14/1093392514.db2.gz JPGVHSPCYYEABK-JTQLQIEISA-N -1 3 328.376 2.532 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001590372217 1093396267 /nfs/dbraw/zinc/39/62/67/1093396267.db2.gz QEEXJEGHSVGAEI-INIZCTEOSA-N -1 3 328.376 2.532 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001590372217 1093396278 /nfs/dbraw/zinc/39/62/78/1093396278.db2.gz QEEXJEGHSVGAEI-INIZCTEOSA-N -1 3 328.376 2.532 20 30 EFEDHM CCC(C)(C)c1ccc(Cn2c(C)nc(C#N)c2-c2nnn[n-]2)cc1 ZINC001590379293 1093399603 /nfs/dbraw/zinc/39/96/03/1093399603.db2.gz VSFFPFRFPRMICX-UHFFFAOYSA-N -1 3 335.415 2.979 20 30 EFEDHM CCC(C)(C)c1ccc(Cn2c(C)nc(C#N)c2-c2nn[n-]n2)cc1 ZINC001590379293 1093399608 /nfs/dbraw/zinc/39/96/08/1093399608.db2.gz VSFFPFRFPRMICX-UHFFFAOYSA-N -1 3 335.415 2.979 20 30 EFEDHM CC[C@H](CC#N)OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001590420039 1093413300 /nfs/dbraw/zinc/41/33/00/1093413300.db2.gz UIJDXDHOKADUGY-DOMZBBRYSA-N -1 3 343.387 2.506 20 30 EFEDHM CC[C@H](CC#N)OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001590420039 1093413304 /nfs/dbraw/zinc/41/33/04/1093413304.db2.gz UIJDXDHOKADUGY-DOMZBBRYSA-N -1 3 343.387 2.506 20 30 EFEDHM CCC1CC(=O)C(=CNc2sc(C)c(C)c2-c2nnn[n-]2)C(=O)C1 ZINC001590501782 1093459354 /nfs/dbraw/zinc/45/93/54/1093459354.db2.gz FARZPNJVCJVQOS-UHFFFAOYSA-N -1 3 345.428 2.799 20 30 EFEDHM CCC1CC(=O)C(=CNc2sc(C)c(C)c2-c2nn[n-]n2)C(=O)C1 ZINC001590501782 1093459357 /nfs/dbraw/zinc/45/93/57/1093459357.db2.gz FARZPNJVCJVQOS-UHFFFAOYSA-N -1 3 345.428 2.799 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)c1ncc(-c2nnn[n-]2)cc1F ZINC001590635200 1093525422 /nfs/dbraw/zinc/52/54/22/1093525422.db2.gz PDHRVGLFGFLUAP-UHFFFAOYSA-N -1 3 337.362 2.689 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)c1ncc(-c2nn[n-]n2)cc1F ZINC001590635200 1093525429 /nfs/dbraw/zinc/52/54/29/1093525429.db2.gz PDHRVGLFGFLUAP-UHFFFAOYSA-N -1 3 337.362 2.689 20 30 EFEDHM CCCn1nc(C)c(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1C ZINC001590664142 1093535408 /nfs/dbraw/zinc/53/54/08/1093535408.db2.gz CYMSTSMPVZMITL-KTKRTIGZSA-N -1 3 336.399 2.986 20 30 EFEDHM CCCn1nc(C)c(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1C ZINC001590664142 1093535420 /nfs/dbraw/zinc/53/54/20/1093535420.db2.gz CYMSTSMPVZMITL-KTKRTIGZSA-N -1 3 336.399 2.986 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)o1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590674354 1093542717 /nfs/dbraw/zinc/54/27/17/1093542717.db2.gz ZHDAOCGONBRATQ-NSHDSACASA-N -1 3 336.355 2.555 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)o1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590674354 1093542720 /nfs/dbraw/zinc/54/27/20/1093542720.db2.gz ZHDAOCGONBRATQ-NSHDSACASA-N -1 3 336.355 2.555 20 30 EFEDHM CCNc1ccc(C#N)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001590748220 1093562467 /nfs/dbraw/zinc/56/24/67/1093562467.db2.gz NIIDGQWSCKAGHU-UHFFFAOYSA-N -1 3 347.382 2.731 20 30 EFEDHM CCNc1ccc(C#N)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001590748220 1093562479 /nfs/dbraw/zinc/56/24/79/1093562479.db2.gz NIIDGQWSCKAGHU-UHFFFAOYSA-N -1 3 347.382 2.731 20 30 EFEDHM CCOc1ccc(NN=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC001590838758 1093592884 /nfs/dbraw/zinc/59/28/84/1093592884.db2.gz AEZAZQGNUVSZFR-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM CCOc1ccc(NN=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC001590838758 1093592889 /nfs/dbraw/zinc/59/28/89/1093592889.db2.gz AEZAZQGNUVSZFR-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM CCn1nc(C)c(C(=O)C=Cc2csc(-c3nnn[n-]3)c2)c1C ZINC001590963266 1093641886 /nfs/dbraw/zinc/64/18/86/1093641886.db2.gz DPJQYIHQLYCKBX-WAYWQWQTSA-N -1 3 328.401 2.658 20 30 EFEDHM CN(C)c1ccc(-c2nn[n-]n2)cc1CNc1ccc(CC#N)cc1 ZINC001591032000 1093655236 /nfs/dbraw/zinc/65/52/36/1093655236.db2.gz IHVLFDIGTIUFQR-UHFFFAOYSA-N -1 3 333.399 2.611 20 30 EFEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1ccc(C#N)c(F)c1 ZINC001591140564 1093669765 /nfs/dbraw/zinc/66/97/65/1093669765.db2.gz NTZTZOPSIWWYGW-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1ccc(C#N)c(F)c1 ZINC001591140564 1093669767 /nfs/dbraw/zinc/66/97/67/1093669767.db2.gz NTZTZOPSIWWYGW-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(CC#N)cc1 ZINC001591143543 1093672129 /nfs/dbraw/zinc/67/21/29/1093672129.db2.gz VSSLLJXYBVLTCZ-UHFFFAOYSA-N -1 3 347.382 2.597 20 30 EFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(CC#N)cc1 ZINC001591143543 1093672134 /nfs/dbraw/zinc/67/21/34/1093672134.db2.gz VSSLLJXYBVLTCZ-UHFFFAOYSA-N -1 3 347.382 2.597 20 30 EFEDHM CNc1ccc(C#N)cc1NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001591224725 1093680622 /nfs/dbraw/zinc/68/06/22/1093680622.db2.gz BFPDCPQJYZSSAK-UHFFFAOYSA-N -1 3 347.382 2.649 20 30 EFEDHM CNc1ccc(C#N)cc1NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001591224725 1093680627 /nfs/dbraw/zinc/68/06/27/1093680627.db2.gz BFPDCPQJYZSSAK-UHFFFAOYSA-N -1 3 347.382 2.649 20 30 EFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCCCC#N ZINC001591477039 1093731230 /nfs/dbraw/zinc/73/12/30/1093731230.db2.gz ADFDIQJYSWGHAF-UHFFFAOYSA-N -1 3 349.778 2.908 20 30 EFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCCCC#N ZINC001591477039 1093731238 /nfs/dbraw/zinc/73/12/38/1093731238.db2.gz ADFDIQJYSWGHAF-UHFFFAOYSA-N -1 3 349.778 2.908 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001591496296 1093744250 /nfs/dbraw/zinc/74/42/50/1093744250.db2.gz OEMLNRLTFZHZOR-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001591496296 1093744258 /nfs/dbraw/zinc/74/42/58/1093744258.db2.gz OEMLNRLTFZHZOR-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001591519124 1093748115 /nfs/dbraw/zinc/74/81/15/1093748115.db2.gz SVQCECVXXMBBOC-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001591519124 1093748122 /nfs/dbraw/zinc/74/81/22/1093748122.db2.gz SVQCECVXXMBBOC-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1 ZINC001591522177 1093749039 /nfs/dbraw/zinc/74/90/39/1093749039.db2.gz CECBVAILGXDEHI-SREVYHEPSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1 ZINC001591522177 1093749045 /nfs/dbraw/zinc/74/90/45/1093749045.db2.gz CECBVAILGXDEHI-SREVYHEPSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(C=NNc2cc(F)c(F)c(F)c2)ccc1-c1nnn[n-]1 ZINC001591522185 1093749916 /nfs/dbraw/zinc/74/99/16/1093749916.db2.gz CKKOJMZCHCUGAK-UHFFFAOYSA-N -1 3 348.288 2.739 20 30 EFEDHM COc1cc(C=NNc2cc(F)c(F)c(F)c2)ccc1-c1nn[n-]n1 ZINC001591522185 1093749919 /nfs/dbraw/zinc/74/99/19/1093749919.db2.gz CKKOJMZCHCUGAK-UHFFFAOYSA-N -1 3 348.288 2.739 20 30 EFEDHM COc1cc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)ccc1C#N ZINC001591538031 1093757601 /nfs/dbraw/zinc/75/76/01/1093757601.db2.gz GYSWXENDONKEBI-UHFFFAOYSA-N -1 3 342.309 2.637 20 30 EFEDHM COc1cc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)ccc1C#N ZINC001591538031 1093757603 /nfs/dbraw/zinc/75/76/03/1093757603.db2.gz GYSWXENDONKEBI-UHFFFAOYSA-N -1 3 342.309 2.637 20 30 EFEDHM COc1cc(OCc2ccc(Cl)cc2C#N)ccc1-c1nnn[n-]1 ZINC001591552500 1093766045 /nfs/dbraw/zinc/76/60/45/1093766045.db2.gz BEAWUCRKXLTRFU-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(OCc2ccc(Cl)cc2C#N)ccc1-c1nn[n-]n1 ZINC001591552500 1093766051 /nfs/dbraw/zinc/76/60/51/1093766051.db2.gz BEAWUCRKXLTRFU-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(Oc2snc(Cl)c2C#N)ccc1-c1nnn[n-]1 ZINC001591554750 1093766790 /nfs/dbraw/zinc/76/67/90/1093766790.db2.gz ITHQPYPNTDDSRI-UHFFFAOYSA-N -1 3 334.748 2.649 20 30 EFEDHM COc1cc(Oc2snc(Cl)c2C#N)ccc1-c1nn[n-]n1 ZINC001591554750 1093766795 /nfs/dbraw/zinc/76/67/95/1093766795.db2.gz ITHQPYPNTDDSRI-UHFFFAOYSA-N -1 3 334.748 2.649 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)cc1O ZINC001591571653 1093775216 /nfs/dbraw/zinc/77/52/16/1093775216.db2.gz PQZRKIUQUZZAQI-FNORWQNLSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cc1O ZINC001591571653 1093775223 /nfs/dbraw/zinc/77/52/23/1093775223.db2.gz PQZRKIUQUZZAQI-FNORWQNLSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1C#N ZINC001591582749 1093781275 /nfs/dbraw/zinc/78/12/75/1093781275.db2.gz LZNULSZHAFHAEJ-MKMNVTDBSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1C#N ZINC001591582749 1093781277 /nfs/dbraw/zinc/78/12/77/1093781277.db2.gz LZNULSZHAFHAEJ-MKMNVTDBSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nnn[n-]1)C2 ZINC001591625648 1093803861 /nfs/dbraw/zinc/80/38/61/1093803861.db2.gz PJLMQDGDNFJOLP-WQLSENKSSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nn[n-]n1)C2 ZINC001591625648 1093803869 /nfs/dbraw/zinc/80/38/69/1093803869.db2.gz PJLMQDGDNFJOLP-WQLSENKSSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc2c1CC(=Cc1cccc(F)c1-c1nnn[n-]1)C2=O ZINC001591642842 1093812973 /nfs/dbraw/zinc/81/29/73/1093812973.db2.gz MRUYKYKPEFFYDM-FLIBITNWSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc2c1CC(=Cc1cccc(F)c1-c1nn[n-]n1)C2=O ZINC001591642842 1093812975 /nfs/dbraw/zinc/81/29/75/1093812975.db2.gz MRUYKYKPEFFYDM-FLIBITNWSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc2c1CC(=Cc1cccc(F)c1-c1nnn[n-]1)C2=O ZINC001591642841 1093813416 /nfs/dbraw/zinc/81/34/16/1093813416.db2.gz MRUYKYKPEFFYDM-DHZHZOJOSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc2c1CC(=Cc1cccc(F)c1-c1nn[n-]n1)C2=O ZINC001591642841 1093813420 /nfs/dbraw/zinc/81/34/20/1093813420.db2.gz MRUYKYKPEFFYDM-DHZHZOJOSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccccc1C1(CNc2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001591648872 1093818209 /nfs/dbraw/zinc/81/82/09/1093818209.db2.gz LOMHWKFMMMFCKJ-UHFFFAOYSA-N -1 3 346.394 2.891 20 30 EFEDHM COc1ccccc1C1(CNc2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001591648872 1093818216 /nfs/dbraw/zinc/81/82/16/1093818216.db2.gz LOMHWKFMMMFCKJ-UHFFFAOYSA-N -1 3 346.394 2.891 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001591801708 1093862487 /nfs/dbraw/zinc/86/24/87/1093862487.db2.gz KEOYEVBHXGKWKW-UHFFFAOYSA-N -1 3 345.366 2.595 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001591801708 1093862490 /nfs/dbraw/zinc/86/24/90/1093862490.db2.gz KEOYEVBHXGKWKW-UHFFFAOYSA-N -1 3 345.366 2.595 20 30 EFEDHM Cc1c(C#N)c(NC(=O)c2cccc(-c3nnn[n-]3)c2)n2ccccc12 ZINC001591799420 1093863640 /nfs/dbraw/zinc/86/36/40/1093863640.db2.gz JKKCDJVXXWUERP-UHFFFAOYSA-N -1 3 343.350 2.552 20 30 EFEDHM Cc1c(C#N)c(NC(=O)c2cccc(-c3nn[n-]n3)c2)n2ccccc12 ZINC001591799420 1093863641 /nfs/dbraw/zinc/86/36/41/1093863641.db2.gz JKKCDJVXXWUERP-UHFFFAOYSA-N -1 3 343.350 2.552 20 30 EFEDHM Cc1c(Cl)cnc(N2Cc3cccc(-c4nnn[n-]4)c3C2)c1C#N ZINC001591821202 1093870606 /nfs/dbraw/zinc/87/06/06/1093870606.db2.gz MJKXRIWOHGNKIB-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1c(Cl)cnc(N2Cc3cccc(-c4nn[n-]n4)c3C2)c1C#N ZINC001591821202 1093870608 /nfs/dbraw/zinc/87/06/08/1093870608.db2.gz MJKXRIWOHGNKIB-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1c(NC(=O)NCc2ccc(CC#N)cc2)cccc1-c1nnn[n-]1 ZINC001591828093 1093874142 /nfs/dbraw/zinc/87/41/42/1093874142.db2.gz ZAFKEAMLECXJCS-UHFFFAOYSA-N -1 3 347.382 2.563 20 30 EFEDHM Cc1c(NC(=O)NCc2ccc(CC#N)cc2)cccc1-c1nn[n-]n1 ZINC001591828093 1093874149 /nfs/dbraw/zinc/87/41/49/1093874149.db2.gz ZAFKEAMLECXJCS-UHFFFAOYSA-N -1 3 347.382 2.563 20 30 EFEDHM Cc1c(NC(=O)N2Cc3ccc(C#N)cc3C2)cccc1-c1nnn[n-]1 ZINC001591826247 1093874230 /nfs/dbraw/zinc/87/42/30/1093874230.db2.gz MDVLQXQHSGXETA-UHFFFAOYSA-N -1 3 345.366 2.595 20 30 EFEDHM Cc1c(NC(=O)N2Cc3ccc(C#N)cc3C2)cccc1-c1nn[n-]n1 ZINC001591826247 1093874235 /nfs/dbraw/zinc/87/42/35/1093874235.db2.gz MDVLQXQHSGXETA-UHFFFAOYSA-N -1 3 345.366 2.595 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1ccc(OCC#N)cc1 ZINC001591839429 1093878864 /nfs/dbraw/zinc/87/88/64/1093878864.db2.gz SXSUSWUCNWDBSK-UHFFFAOYSA-N -1 3 348.366 2.638 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1ccc(OCC#N)cc1 ZINC001591839429 1093878872 /nfs/dbraw/zinc/87/88/72/1093878872.db2.gz SXSUSWUCNWDBSK-UHFFFAOYSA-N -1 3 348.366 2.638 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=CC(=O)c1cn2c(n1)CCCC2 ZINC001591839606 1093879635 /nfs/dbraw/zinc/87/96/35/1093879635.db2.gz NPHFVEOJMKMASE-VOTSOKGWSA-N -1 3 348.410 2.912 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=CC(=O)c1cn2c(n1)CCCC2 ZINC001591839606 1093879641 /nfs/dbraw/zinc/87/96/41/1093879641.db2.gz NPHFVEOJMKMASE-VOTSOKGWSA-N -1 3 348.410 2.912 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1ccccc1C#N ZINC001591845080 1093881281 /nfs/dbraw/zinc/88/12/81/1093881281.db2.gz MYQYSOMVUMCUBA-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1ccccc1C#N ZINC001591845080 1093881289 /nfs/dbraw/zinc/88/12/89/1093881289.db2.gz MYQYSOMVUMCUBA-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC001591906708 1093913210 /nfs/dbraw/zinc/91/32/10/1093913210.db2.gz XMJDELREZJPWCK-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC001591906708 1093913215 /nfs/dbraw/zinc/91/32/15/1093913215.db2.gz XMJDELREZJPWCK-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591906438 1093913343 /nfs/dbraw/zinc/91/33/43/1093913343.db2.gz ISYAKZXIOOANQR-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591906438 1093913345 /nfs/dbraw/zinc/91/33/45/1093913345.db2.gz ISYAKZXIOOANQR-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591906380 1093913967 /nfs/dbraw/zinc/91/39/67/1093913967.db2.gz FTGQNQMWSNEFCJ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591906380 1093913973 /nfs/dbraw/zinc/91/39/73/1093913973.db2.gz FTGQNQMWSNEFCJ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(C(=O)N2CCc3c2cccc3C#N)cc(C)c1-c1nnn[n-]1 ZINC001591916707 1093914722 /nfs/dbraw/zinc/91/47/22/1093914722.db2.gz DFHIVHNWYDEBEY-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(C(=O)N2CCc3c2cccc3C#N)cc(C)c1-c1nn[n-]n1 ZINC001591916707 1093914729 /nfs/dbraw/zinc/91/47/29/1093914729.db2.gz DFHIVHNWYDEBEY-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(C(=O)NCC(C)(C)CCC#N)cc(C)c1-c1nnn[n-]1 ZINC001591922554 1093917577 /nfs/dbraw/zinc/91/75/77/1093917577.db2.gz BZAQXQJAIHZLEI-UHFFFAOYSA-N -1 3 326.404 2.543 20 30 EFEDHM Cc1cc(C(=O)NCC(C)(C)CCC#N)cc(C)c1-c1nn[n-]n1 ZINC001591922554 1093917582 /nfs/dbraw/zinc/91/75/82/1093917582.db2.gz BZAQXQJAIHZLEI-UHFFFAOYSA-N -1 3 326.404 2.543 20 30 EFEDHM Cc1cc(CN=Nc2nccnc2C2CCC2)ccc1-c1nnn[n-]1 ZINC001591958507 1093933246 /nfs/dbraw/zinc/93/32/46/1093933246.db2.gz HVMIYNXRDFELEP-UHFFFAOYSA-N -1 3 334.387 2.679 20 30 EFEDHM Cc1cc(CN=Nc2nccnc2C2CCC2)ccc1-c1nn[n-]n1 ZINC001591958507 1093933251 /nfs/dbraw/zinc/93/32/51/1093933251.db2.gz HVMIYNXRDFELEP-UHFFFAOYSA-N -1 3 334.387 2.679 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccnn2C2CCC2)ccc1-c1nnn[n-]1 ZINC001591959119 1093933723 /nfs/dbraw/zinc/93/37/23/1093933723.db2.gz LQHULGBUVOZLJQ-VURMDHGXSA-N -1 3 334.383 2.993 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccnn2C2CCC2)ccc1-c1nn[n-]n1 ZINC001591959119 1093933725 /nfs/dbraw/zinc/93/37/25/1093933725.db2.gz LQHULGBUVOZLJQ-VURMDHGXSA-N -1 3 334.383 2.993 20 30 EFEDHM Cc1cc(COC(=O)CCc2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001591972910 1093940286 /nfs/dbraw/zinc/94/02/86/1093940286.db2.gz YGWNQKWQZMSVAY-UHFFFAOYSA-N -1 3 347.378 2.723 20 30 EFEDHM Cc1cc(COC(=O)CCc2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001591972910 1093940287 /nfs/dbraw/zinc/94/02/87/1093940287.db2.gz YGWNQKWQZMSVAY-UHFFFAOYSA-N -1 3 347.378 2.723 20 30 EFEDHM Cc1cc(F)c(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001591987014 1093948190 /nfs/dbraw/zinc/94/81/90/1093948190.db2.gz XDVPBPJUXPIUQV-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(F)c(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001591987014 1093948191 /nfs/dbraw/zinc/94/81/91/1093948191.db2.gz XDVPBPJUXPIUQV-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(NC(=O)CCc2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001592017436 1093954518 /nfs/dbraw/zinc/95/45/18/1093954518.db2.gz QZYJAUSIMBQGBF-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1cc(NC(=O)CCc2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001592017436 1093954520 /nfs/dbraw/zinc/95/45/20/1093954520.db2.gz QZYJAUSIMBQGBF-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1cc(NCC2(C#N)CCCC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592041433 1093966365 /nfs/dbraw/zinc/96/63/65/1093966365.db2.gz KVOBLGQPOWMZAK-UHFFFAOYSA-N -1 3 327.348 2.579 20 30 EFEDHM Cc1cc(NCC2(C#N)CCCC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592041433 1093966368 /nfs/dbraw/zinc/96/63/68/1093966368.db2.gz KVOBLGQPOWMZAK-UHFFFAOYSA-N -1 3 327.348 2.579 20 30 EFEDHM Cc1cc(NCCc2ccc(-c3nnn[n-]3)cc2)c(C#N)cc1[N+](=O)[O-] ZINC001592051627 1093966887 /nfs/dbraw/zinc/96/68/87/1093966887.db2.gz YWPNITUVFPFWCV-UHFFFAOYSA-N -1 3 349.354 2.610 20 30 EFEDHM Cc1cc(NCCc2ccc(-c3nn[n-]n3)cc2)c(C#N)cc1[N+](=O)[O-] ZINC001592051627 1093966892 /nfs/dbraw/zinc/96/68/92/1093966892.db2.gz YWPNITUVFPFWCV-UHFFFAOYSA-N -1 3 349.354 2.610 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001592113273 1093984646 /nfs/dbraw/zinc/98/46/46/1093984646.db2.gz LUDSMCLSLUTNML-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001592113273 1093984651 /nfs/dbraw/zinc/98/46/51/1093984651.db2.gz LUDSMCLSLUTNML-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C(=O)OCCC#Cc2ccccc2)cc1-c1nnn[n-]1 ZINC001592130567 1093989956 /nfs/dbraw/zinc/98/99/56/1093989956.db2.gz CKNKRJCGPIWHOQ-UHFFFAOYSA-N -1 3 332.363 2.774 20 30 EFEDHM Cc1ccc(C(=O)OCCC#Cc2ccccc2)cc1-c1nn[n-]n1 ZINC001592130567 1093989958 /nfs/dbraw/zinc/98/99/58/1093989958.db2.gz CKNKRJCGPIWHOQ-UHFFFAOYSA-N -1 3 332.363 2.774 20 30 EFEDHM Cc1ccc(CNC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)cc1C#N ZINC001592162262 1094008397 /nfs/dbraw/zinc/00/83/97/1094008397.db2.gz WKJKSQXNRODBQW-UHFFFAOYSA-N -1 3 346.394 2.594 20 30 EFEDHM Cc1ccc(CNC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)cc1C#N ZINC001592162262 1094008405 /nfs/dbraw/zinc/00/84/05/1094008405.db2.gz WKJKSQXNRODBQW-UHFFFAOYSA-N -1 3 346.394 2.594 20 30 EFEDHM Cc1ccc(CNc2nc(Cl)c(C#N)s2)cc1-c1nnn[n-]1 ZINC001592167559 1094012761 /nfs/dbraw/zinc/01/27/61/1094012761.db2.gz MRLLPHRFHKUJTE-UHFFFAOYSA-N -1 3 331.792 2.769 20 30 EFEDHM Cc1ccc(CNc2nc(Cl)c(C#N)s2)cc1-c1nn[n-]n1 ZINC001592167559 1094012767 /nfs/dbraw/zinc/01/27/67/1094012767.db2.gz MRLLPHRFHKUJTE-UHFFFAOYSA-N -1 3 331.792 2.769 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](CC#N)C3)c2c1 ZINC001592207738 1094031862 /nfs/dbraw/zinc/03/18/62/1094031862.db2.gz NIZOEWWUQAMYIF-ZDUSSCGKSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](CC#N)C3)c2c1 ZINC001592207738 1094031867 /nfs/dbraw/zinc/03/18/67/1094031867.db2.gz NIZOEWWUQAMYIF-ZDUSSCGKSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1c(C)ccc2ccccc21 ZINC001592205874 1094032133 /nfs/dbraw/zinc/03/21/33/1094032133.db2.gz BOBSNLHDPUXFNS-UHFFFAOYSA-N -1 3 329.367 2.753 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1c(C)ccc2ccccc21 ZINC001592205874 1094032141 /nfs/dbraw/zinc/03/21/41/1094032141.db2.gz BOBSNLHDPUXFNS-UHFFFAOYSA-N -1 3 329.367 2.753 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(OCc3nc(C#N)cs3)c2c1 ZINC001592210712 1094032593 /nfs/dbraw/zinc/03/25/93/1094032593.db2.gz WKHKGHYXGKUYAM-UHFFFAOYSA-N -1 3 349.379 2.631 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(OCc3nc(C#N)cs3)c2c1 ZINC001592210712 1094032599 /nfs/dbraw/zinc/03/25/99/1094032599.db2.gz WKHKGHYXGKUYAM-UHFFFAOYSA-N -1 3 349.379 2.631 20 30 EFEDHM Cc1cccc(O[C@H](C)CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001592237462 1094043948 /nfs/dbraw/zinc/04/39/48/1094043948.db2.gz XUXIYTZYSAFJAP-CYBMUJFWSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1cccc(O[C@H](C)CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001592237462 1094043954 /nfs/dbraw/zinc/04/39/54/1094043954.db2.gz XUXIYTZYSAFJAP-CYBMUJFWSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCC1CCC(C#N)CC1 ZINC001592242916 1094045298 /nfs/dbraw/zinc/04/52/98/1094045298.db2.gz LFIUIWOANKVWEM-UHFFFAOYSA-N -1 3 347.426 2.887 20 30 EFEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCC1CCC(C#N)CC1 ZINC001592242916 1094045305 /nfs/dbraw/zinc/04/53/05/1094045305.db2.gz LFIUIWOANKVWEM-UHFFFAOYSA-N -1 3 347.426 2.887 20 30 EFEDHM Cc1n[nH]c(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001592325616 1094080112 /nfs/dbraw/zinc/08/01/12/1094080112.db2.gz COJGWXHVIQCCGL-AATRIKPKSA-N -1 3 328.763 2.756 20 30 EFEDHM Cc1n[nH]c(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001592325616 1094080116 /nfs/dbraw/zinc/08/01/16/1094080116.db2.gz COJGWXHVIQCCGL-AATRIKPKSA-N -1 3 328.763 2.756 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1cc(Cl)cc(Cl)c1 ZINC001592340933 1094080925 /nfs/dbraw/zinc/08/09/25/1094080925.db2.gz MDNUPLAEEAZZID-UHFFFAOYSA-N -1 3 334.170 2.598 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1cc(Cl)cc(Cl)c1 ZINC001592340933 1094080932 /nfs/dbraw/zinc/08/09/32/1094080932.db2.gz MDNUPLAEEAZZID-UHFFFAOYSA-N -1 3 334.170 2.598 20 30 EFEDHM Cc1sc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C#N)c1C ZINC001592518974 1094118131 /nfs/dbraw/zinc/11/81/31/1094118131.db2.gz CASAZLXBGVGESD-UHFFFAOYSA-N -1 3 338.396 2.598 20 30 EFEDHM Cc1sc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C ZINC001592518974 1094118132 /nfs/dbraw/zinc/11/81/32/1094118132.db2.gz CASAZLXBGVGESD-UHFFFAOYSA-N -1 3 338.396 2.598 20 30 EFEDHM Cc1sc(NC(=O)c2ccc(F)c(C#N)c2)c(-c2nnn[n-]2)c1C ZINC001592521365 1094118778 /nfs/dbraw/zinc/11/87/78/1094118778.db2.gz ULSCQBIOSJTLOW-UHFFFAOYSA-N -1 3 342.359 2.808 20 30 EFEDHM Cc1sc(NC(=O)c2ccc(F)c(C#N)c2)c(-c2nn[n-]n2)c1C ZINC001592521365 1094118780 /nfs/dbraw/zinc/11/87/80/1094118780.db2.gz ULSCQBIOSJTLOW-UHFFFAOYSA-N -1 3 342.359 2.808 20 30 EFEDHM N#CC1(COC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)CCCC1 ZINC001592669836 1094172808 /nfs/dbraw/zinc/17/28/08/1094172808.db2.gz OASQITBGPGNGIR-UHFFFAOYSA-N -1 3 337.383 2.525 20 30 EFEDHM N#CC1(COC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)CCCC1 ZINC001592669836 1094172810 /nfs/dbraw/zinc/17/28/10/1094172810.db2.gz OASQITBGPGNGIR-UHFFFAOYSA-N -1 3 337.383 2.525 20 30 EFEDHM N#CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001592666821 1094173020 /nfs/dbraw/zinc/17/30/20/1094173020.db2.gz LGXYFZTYDMRVBW-UHFFFAOYSA-N -1 3 329.335 2.523 20 30 EFEDHM N#CC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001592666821 1094173025 /nfs/dbraw/zinc/17/30/25/1094173025.db2.gz LGXYFZTYDMRVBW-UHFFFAOYSA-N -1 3 329.335 2.523 20 30 EFEDHM N#CC1(COC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)CC1 ZINC001592670145 1094173080 /nfs/dbraw/zinc/17/30/80/1094173080.db2.gz ULDJBHOZFXGMLJ-UHFFFAOYSA-N -1 3 337.383 2.525 20 30 EFEDHM N#CC1(COC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)CC1 ZINC001592670145 1094173085 /nfs/dbraw/zinc/17/30/85/1094173085.db2.gz ULDJBHOZFXGMLJ-UHFFFAOYSA-N -1 3 337.383 2.525 20 30 EFEDHM N#C[C@H](NC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)C1CCCCC1 ZINC001592669617 1094173308 /nfs/dbraw/zinc/17/33/08/1094173308.db2.gz QEFZPLRRCNYDGI-INIZCTEOSA-N -1 3 349.398 2.550 20 30 EFEDHM N#C[C@H](NC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)C1CCCCC1 ZINC001592669617 1094173314 /nfs/dbraw/zinc/17/33/14/1094173314.db2.gz QEFZPLRRCNYDGI-INIZCTEOSA-N -1 3 349.398 2.550 20 30 EFEDHM N#CC1(CCOC(=O)c2sccc2-c2nnn[n-]2)CCCCC1 ZINC001592669363 1094173479 /nfs/dbraw/zinc/17/34/79/1094173479.db2.gz WLHMYVSINLPTQH-UHFFFAOYSA-N -1 3 331.401 2.949 20 30 EFEDHM N#C[C@]1(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)CC12CCCC2 ZINC001592667111 1094173505 /nfs/dbraw/zinc/17/35/05/1094173505.db2.gz PCBDDPPRNIDPKB-INIZCTEOSA-N -1 3 344.325 2.557 20 30 EFEDHM N#C[C@]1(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)CC12CCCC2 ZINC001592667111 1094173508 /nfs/dbraw/zinc/17/35/08/1094173508.db2.gz PCBDDPPRNIDPKB-INIZCTEOSA-N -1 3 344.325 2.557 20 30 EFEDHM N#CC1(CNc2c(Br)cccc2-c2nnn[n-]2)CCC1 ZINC001592669382 1094173822 /nfs/dbraw/zinc/17/38/22/1094173822.db2.gz HHQABPSWTJXKTN-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CC1(CNc2c(Br)cccc2-c2nn[n-]n2)CCC1 ZINC001592669382 1094173823 /nfs/dbraw/zinc/17/38/23/1094173823.db2.gz HHQABPSWTJXKTN-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001592673570 1094174652 /nfs/dbraw/zinc/17/46/52/1094174652.db2.gz HDWUCSSWBWMDFH-JTQLQIEISA-N -1 3 345.794 2.678 20 30 EFEDHM N#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001592673570 1094174656 /nfs/dbraw/zinc/17/46/56/1094174656.db2.gz HDWUCSSWBWMDFH-JTQLQIEISA-N -1 3 345.794 2.678 20 30 EFEDHM N#CC1(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCCCC1 ZINC001592670985 1094174742 /nfs/dbraw/zinc/17/47/42/1094174742.db2.gz XMNOWVSEJWKOJE-UHFFFAOYSA-N -1 3 335.371 2.933 20 30 EFEDHM N#CC1(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCCCC1 ZINC001592670985 1094174745 /nfs/dbraw/zinc/17/47/45/1094174745.db2.gz XMNOWVSEJWKOJE-UHFFFAOYSA-N -1 3 335.371 2.933 20 30 EFEDHM N#C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001592673365 1094174896 /nfs/dbraw/zinc/17/48/96/1094174896.db2.gz YBHYFBDTTQQRGG-NSHDSACASA-N -1 3 337.387 2.512 20 30 EFEDHM N#C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001592673365 1094174901 /nfs/dbraw/zinc/17/49/01/1094174901.db2.gz YBHYFBDTTQQRGG-NSHDSACASA-N -1 3 337.387 2.512 20 30 EFEDHM N#CC[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592675092 1094175028 /nfs/dbraw/zinc/17/50/28/1094175028.db2.gz MLAIHSZQFRFQEB-CYBMUJFWSA-N -1 3 336.330 2.642 20 30 EFEDHM N#CC[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592675092 1094175031 /nfs/dbraw/zinc/17/50/31/1094175031.db2.gz MLAIHSZQFRFQEB-CYBMUJFWSA-N -1 3 336.330 2.642 20 30 EFEDHM N#CC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001592674614 1094175122 /nfs/dbraw/zinc/17/51/22/1094175122.db2.gz GMCQRNJBTOIMGS-CYBMUJFWSA-N -1 3 336.330 2.642 20 30 EFEDHM N#CC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001592674614 1094175128 /nfs/dbraw/zinc/17/51/28/1094175128.db2.gz GMCQRNJBTOIMGS-CYBMUJFWSA-N -1 3 336.330 2.642 20 30 EFEDHM N#CCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001592675614 1094175255 /nfs/dbraw/zinc/17/52/55/1094175255.db2.gz YKLWRVWFKNRLET-UHFFFAOYSA-N -1 3 349.192 2.652 20 30 EFEDHM N#CCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001592675614 1094175258 /nfs/dbraw/zinc/17/52/58/1094175258.db2.gz YKLWRVWFKNRLET-UHFFFAOYSA-N -1 3 349.192 2.652 20 30 EFEDHM N#CCc1cccc(C(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)c1 ZINC001592680020 1094176730 /nfs/dbraw/zinc/17/67/30/1094176730.db2.gz KRESYTYCKVRDJY-UHFFFAOYSA-N -1 3 344.378 2.526 20 30 EFEDHM N#CCc1cccc(C(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)c1 ZINC001592680020 1094176733 /nfs/dbraw/zinc/17/67/33/1094176733.db2.gz KRESYTYCKVRDJY-UHFFFAOYSA-N -1 3 344.378 2.526 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)nc2ccccc12 ZINC001592689090 1094177304 /nfs/dbraw/zinc/17/73/04/1094177304.db2.gz ATEFWHDHKLJGCW-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)nc2ccccc12 ZINC001592689090 1094177305 /nfs/dbraw/zinc/17/73/05/1094177305.db2.gz ATEFWHDHKLJGCW-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3c(c2)[nH]cc3-c2nnn[n-]2)ccc1F ZINC001592690221 1094177374 /nfs/dbraw/zinc/17/73/74/1094177374.db2.gz RQIAAUQGQFBKGI-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3c(c2)[nH]cc3-c2nn[n-]n2)ccc1F ZINC001592690221 1094177376 /nfs/dbraw/zinc/17/73/76/1094177376.db2.gz RQIAAUQGQFBKGI-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#Cc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1F ZINC001592688000 1094177504 /nfs/dbraw/zinc/17/75/04/1094177504.db2.gz RKZHGHMPDOSBSN-WLRTZDKTSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1F ZINC001592688000 1094177506 /nfs/dbraw/zinc/17/75/06/1094177506.db2.gz RKZHGHMPDOSBSN-WLRTZDKTSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1cc(NC(=O)c2nsc3ccccc32)ccc1-c1nnn[n-]1 ZINC001592690188 1094177604 /nfs/dbraw/zinc/17/76/04/1094177604.db2.gz OPDRUJMFDLITRH-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2nsc3ccccc32)ccc1-c1nn[n-]n1 ZINC001592690188 1094177607 /nfs/dbraw/zinc/17/76/07/1094177607.db2.gz OPDRUJMFDLITRH-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1c(F)cccc1CNC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592687357 1094177761 /nfs/dbraw/zinc/17/77/61/1094177761.db2.gz YGRNGZOAAKENFF-UHFFFAOYSA-N -1 3 334.358 2.656 20 30 EFEDHM N#Cc1cc(Cl)cc(CN2Cc3cccc(-c4nnn[n-]4)c3C2)c1 ZINC001592688234 1094177991 /nfs/dbraw/zinc/17/79/91/1094177991.db2.gz JKSDPEAJVPTHAO-UHFFFAOYSA-N -1 3 336.786 2.908 20 30 EFEDHM N#Cc1cc(Cl)cc(CN2Cc3cccc(-c4nn[n-]n4)c3C2)c1 ZINC001592688234 1094177995 /nfs/dbraw/zinc/17/79/95/1094177995.db2.gz JKSDPEAJVPTHAO-UHFFFAOYSA-N -1 3 336.786 2.908 20 30 EFEDHM N#Cc1ccc(C2(C(=O)Nc3cc(F)cc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001592691116 1094178905 /nfs/dbraw/zinc/17/89/05/1094178905.db2.gz ICEMXVNQCKKPLI-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(C2(C(=O)Nc3cc(F)cc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001592691116 1094178908 /nfs/dbraw/zinc/17/89/08/1094178908.db2.gz ICEMXVNQCKKPLI-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)cc1-c1nnn[n-]1 ZINC001592695321 1094178962 /nfs/dbraw/zinc/17/89/62/1094178962.db2.gz MOTMGPZKDNOPKY-SECBINFHSA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001592695321 1094178964 /nfs/dbraw/zinc/17/89/64/1094178964.db2.gz MOTMGPZKDNOPKY-SECBINFHSA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1ccc(C2(NC(=O)c3ccc(-c4nnn[n-]4)cc3)CCC2)cc1 ZINC001592691459 1094179605 /nfs/dbraw/zinc/17/96/05/1094179605.db2.gz WRRHMYTZZTZALI-UHFFFAOYSA-N -1 3 344.378 2.548 20 30 EFEDHM N#Cc1ccc(C2(NC(=O)c3ccc(-c4nn[n-]n4)cc3)CCC2)cc1 ZINC001592691459 1094179609 /nfs/dbraw/zinc/17/96/09/1094179609.db2.gz WRRHMYTZZTZALI-UHFFFAOYSA-N -1 3 344.378 2.548 20 30 EFEDHM N#Cc1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001592695731 1094180047 /nfs/dbraw/zinc/18/00/47/1094180047.db2.gz IALQHWYZFXXBNK-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001592695731 1094180054 /nfs/dbraw/zinc/18/00/54/1094180054.db2.gz IALQHWYZFXXBNK-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592697325 1094180220 /nfs/dbraw/zinc/18/02/20/1094180220.db2.gz GPHLMBRFNRZOPZ-HNNXBMFYSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592697325 1094180225 /nfs/dbraw/zinc/18/02/25/1094180225.db2.gz GPHLMBRFNRZOPZ-HNNXBMFYSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(NC(=O)c2coc3cc(F)ccc23)cc1-c1nnn[n-]1 ZINC001592696306 1094180342 /nfs/dbraw/zinc/18/03/42/1094180342.db2.gz WYMGQWGBEFZPSH-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM N#Cc1ccc(NC(=O)c2coc3cc(F)ccc23)cc1-c1nn[n-]n1 ZINC001592696306 1094180347 /nfs/dbraw/zinc/18/03/47/1094180347.db2.gz WYMGQWGBEFZPSH-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@](F)(c2ccccc2)C1 ZINC001592698344 1094180529 /nfs/dbraw/zinc/18/05/29/1094180529.db2.gz XRSRNFRPKDWWEM-GOSISDBHSA-N -1 3 334.358 2.813 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@](F)(c2ccccc2)C1 ZINC001592698344 1094180533 /nfs/dbraw/zinc/18/05/33/1094180533.db2.gz XRSRNFRPKDWWEM-GOSISDBHSA-N -1 3 334.358 2.813 20 30 EFEDHM N#Cc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)c(C2CC2)c1 ZINC001592696269 1094180719 /nfs/dbraw/zinc/18/07/19/1094180719.db2.gz UWLNIOKCLRMCGS-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)c(C2CC2)c1 ZINC001592696269 1094180720 /nfs/dbraw/zinc/18/07/20/1094180720.db2.gz UWLNIOKCLRMCGS-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1ccc(OCCCN2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC001592695633 1094180773 /nfs/dbraw/zinc/18/07/73/1094180773.db2.gz BFWDVCXWUFFQQX-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1ccc(OCCCN2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC001592695633 1094180774 /nfs/dbraw/zinc/18/07/74/1094180774.db2.gz BFWDVCXWUFFQQX-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCCO[C@@H](c2ccccc2)C1 ZINC001592699137 1094181450 /nfs/dbraw/zinc/18/14/50/1094181450.db2.gz POIDIVJFHCAGQL-QGZVFWFLSA-N -1 3 346.394 2.706 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCCO[C@@H](c2ccccc2)C1 ZINC001592699137 1094181453 /nfs/dbraw/zinc/18/14/53/1094181453.db2.gz POIDIVJFHCAGQL-QGZVFWFLSA-N -1 3 346.394 2.706 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(Oc2ccccc2)CC1 ZINC001592699356 1094181699 /nfs/dbraw/zinc/18/16/99/1094181699.db2.gz WYWOPCGHOMXQPP-UHFFFAOYSA-N -1 3 346.394 2.786 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(Oc2ccccc2)CC1 ZINC001592699356 1094181700 /nfs/dbraw/zinc/18/17/00/1094181700.db2.gz WYWOPCGHOMXQPP-UHFFFAOYSA-N -1 3 346.394 2.786 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1nc(-c2cccs2)c[nH]1 ZINC001592699933 1094181725 /nfs/dbraw/zinc/18/17/25/1094181725.db2.gz SURNCRSIYAHVLU-UHFFFAOYSA-N -1 3 348.395 2.802 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1nc(-c2cccs2)c[nH]1 ZINC001592699933 1094181729 /nfs/dbraw/zinc/18/17/29/1094181729.db2.gz SURNCRSIYAHVLU-UHFFFAOYSA-N -1 3 348.395 2.802 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1nccn1-c1ccccc1 ZINC001592699850 1094181902 /nfs/dbraw/zinc/18/19/02/1094181902.db2.gz PFBWXJNPQGTHNQ-UHFFFAOYSA-N -1 3 342.366 2.536 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1nccn1-c1ccccc1 ZINC001592699850 1094181905 /nfs/dbraw/zinc/18/19/05/1094181905.db2.gz PFBWXJNPQGTHNQ-UHFFFAOYSA-N -1 3 342.366 2.536 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCCN(c2ccccc2)C1 ZINC001592698865 1094181991 /nfs/dbraw/zinc/18/19/91/1094181991.db2.gz LASSLBYVUNOIMN-OAHLLOKOSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCCN(c2ccccc2)C1 ZINC001592698865 1094181993 /nfs/dbraw/zinc/18/19/93/1094181993.db2.gz LASSLBYVUNOIMN-OAHLLOKOSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1c(F)c(F)cc(F)c1F ZINC001592699521 1094182151 /nfs/dbraw/zinc/18/21/51/1094182151.db2.gz CTHMXEXRTITTAE-UHFFFAOYSA-N -1 3 348.263 2.907 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1c(F)c(F)cc(F)c1F ZINC001592699521 1094182153 /nfs/dbraw/zinc/18/21/53/1094182153.db2.gz CTHMXEXRTITTAE-UHFFFAOYSA-N -1 3 348.263 2.907 20 30 EFEDHM N#Cc1cnc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c(Cl)c1 ZINC001592704224 1094183399 /nfs/dbraw/zinc/18/33/99/1094183399.db2.gz CNFMIMBCBLXXIT-CQSZACIVSA-N -1 3 337.774 2.886 20 30 EFEDHM N#Cc1cnc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c(Cl)c1 ZINC001592704224 1094183403 /nfs/dbraw/zinc/18/34/03/1094183403.db2.gz CNFMIMBCBLXXIT-CQSZACIVSA-N -1 3 337.774 2.886 20 30 EFEDHM N#Cc1nc(NCc2cccc(-c3nnn[n-]3)c2)ccc1C(F)(F)F ZINC001592707459 1094183538 /nfs/dbraw/zinc/18/35/38/1094183538.db2.gz FKDJEVXRJQILEB-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1nc(NCc2cccc(-c3nn[n-]n3)c2)ccc1C(F)(F)F ZINC001592707459 1094183541 /nfs/dbraw/zinc/18/35/41/1094183541.db2.gz FKDJEVXRJQILEB-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccnn1-c1ccccc1 ZINC001592792171 1094188232 /nfs/dbraw/zinc/18/82/32/1094188232.db2.gz XWHMXNZCSQMIDG-FLIBITNWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccnn1-c1ccccc1 ZINC001592792171 1094188235 /nfs/dbraw/zinc/18/82/35/1094188235.db2.gz XWHMXNZCSQMIDG-FLIBITNWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccccc1-c1nnn[n-]1 ZINC001592794047 1094188518 /nfs/dbraw/zinc/18/85/18/1094188518.db2.gz IJERSWDJFUDODS-CMDGGOBGSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccccc1-c1nn[n-]n1 ZINC001592794047 1094188519 /nfs/dbraw/zinc/18/85/19/1094188519.db2.gz IJERSWDJFUDODS-CMDGGOBGSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cnn(CC2CCC2)c1 ZINC001592795410 1094189510 /nfs/dbraw/zinc/18/95/10/1094189510.db2.gz ZNHJFLCNYRRWRO-FPLPWBNLSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cnn(CC2CCC2)c1 ZINC001592795410 1094189515 /nfs/dbraw/zinc/18/95/15/1094189515.db2.gz ZNHJFLCNYRRWRO-FPLPWBNLSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C1C(=Cc2cc(F)cc(F)c2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593376476 1094302709 /nfs/dbraw/zinc/30/27/09/1094302709.db2.gz PGSCNLBNMHUFGP-QDEBKDIKSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2cc(F)cc(F)c2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593376476 1094302715 /nfs/dbraw/zinc/30/27/15/1094302715.db2.gz PGSCNLBNMHUFGP-QDEBKDIKSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2c(F)cccc2F)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593376598 1094303555 /nfs/dbraw/zinc/30/35/55/1094303555.db2.gz XMMKYFYORDNLAQ-JXMROGBWSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2c(F)cccc2F)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593376598 1094303560 /nfs/dbraw/zinc/30/35/60/1094303560.db2.gz XMMKYFYORDNLAQ-JXMROGBWSA-N -1 3 339.305 2.752 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CN1Cc2cc(O)ccc2C[C@@H]1C(=O)[O-] ZINC001600074519 1094753995 /nfs/dbraw/zinc/75/39/95/1094753995.db2.gz HWFZCOVNNKDBRW-LJQANCHMSA-N -1 3 336.391 2.892 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccccc3C(=O)[O-])nc21 ZINC001600555302 1095160018 /nfs/dbraw/zinc/16/00/18/1095160018.db2.gz PPMSPHSVTBMNHT-AWEZNQCLSA-N -1 3 333.347 2.989 20 30 EFEDHM [O-]/N=C/c1cc(NCCN2CCSCC2)cc(C(F)(F)F)c1 ZINC001167837377 1095340833 /nfs/dbraw/zinc/34/08/33/1095340833.db2.gz QIBMQPXSUNWCEV-VXLYETTFSA-N -1 3 333.379 2.974 20 30 EFEDHM Cn1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC001600953207 1095445156 /nfs/dbraw/zinc/44/51/56/1095445156.db2.gz UBEJSQXZVRKSOM-LJQANCHMSA-N -1 3 346.390 2.874 20 30 EFEDHM Cn1ncc2c1CC(C)(C)CN([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001601030715 1095473460 /nfs/dbraw/zinc/47/34/60/1095473460.db2.gz OCJGFFUYSDTFFG-KRWDZBQOSA-N -1 3 338.411 2.502 20 30 EFEDHM N#CC1(c2ccccc2)CC(N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)C1 ZINC001601057770 1095484595 /nfs/dbraw/zinc/48/45/95/1095484595.db2.gz DAKBGGGKYYWXFG-BIXGBWIQSA-N -1 3 348.402 2.961 20 30 EFEDHM N#Cc1ccc(CN2CCN([C@@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC001601100987 1095513222 /nfs/dbraw/zinc/51/32/22/1095513222.db2.gz UPTWPLQHPFCESO-LJQANCHMSA-N -1 3 335.407 2.502 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCCN(Cc3ccsc3C(=O)[O-])C2)nc1 ZINC001601108669 1095516820 /nfs/dbraw/zinc/51/68/20/1095516820.db2.gz SVUPESHVTPLCQG-CQSZACIVSA-N -1 3 342.424 2.789 20 30 EFEDHM N#Cc1cccc(OCCN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001601123673 1095527498 /nfs/dbraw/zinc/52/74/98/1095527498.db2.gz NTLAPSFKCNSQHG-OLZOCXBDSA-N -1 3 342.317 2.522 20 30 EFEDHM N#Cc1cccc(OCCN2CCC(c3cc(C(=O)[O-])on3)CC2)c1 ZINC001601123854 1095527903 /nfs/dbraw/zinc/52/79/03/1095527903.db2.gz XBWJXYMJUHJOIF-UHFFFAOYSA-N -1 3 341.367 2.503 20 30 EFEDHM C#C[C@H](CCC)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001602688377 1096350317 /nfs/dbraw/zinc/35/03/17/1096350317.db2.gz IWTWQGOXCMUNDY-SECBINFHSA-N -1 3 338.198 2.705 20 30 EFEDHM C#C[C@H](CCC)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001602688377 1096350325 /nfs/dbraw/zinc/35/03/25/1096350325.db2.gz IWTWQGOXCMUNDY-SECBINFHSA-N -1 3 338.198 2.705 20 30 EFEDHM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001602689120 1096351556 /nfs/dbraw/zinc/35/15/56/1096351556.db2.gz CAUWSSZWPJYITE-GFCCVEGCSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602689120 1096351563 /nfs/dbraw/zinc/35/15/63/1096351563.db2.gz CAUWSSZWPJYITE-GFCCVEGCSA-N -1 3 348.366 2.802 20 30 EFEDHM C#CC[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001602697706 1096352771 /nfs/dbraw/zinc/35/27/71/1096352771.db2.gz ZPBFLPKFCJXEGL-LBPRGKRZSA-N -1 3 349.350 2.623 20 30 EFEDHM C#CC[C@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001602697706 1096352779 /nfs/dbraw/zinc/35/27/79/1096352779.db2.gz ZPBFLPKFCJXEGL-LBPRGKRZSA-N -1 3 349.350 2.623 20 30 EFEDHM C#CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001602698062 1096353476 /nfs/dbraw/zinc/35/34/76/1096353476.db2.gz YCSJCWROQJZXAN-INIZCTEOSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001602698062 1096353484 /nfs/dbraw/zinc/35/34/84/1096353484.db2.gz YCSJCWROQJZXAN-INIZCTEOSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CCC1(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCC1 ZINC001602699536 1096354125 /nfs/dbraw/zinc/35/41/25/1096354125.db2.gz HXBLBLDRLKKUKC-UHFFFAOYSA-N -1 3 343.818 2.976 20 30 EFEDHM C#CCC1(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCC1 ZINC001602699536 1096354131 /nfs/dbraw/zinc/35/41/31/1096354131.db2.gz HXBLBLDRLKKUKC-UHFFFAOYSA-N -1 3 343.818 2.976 20 30 EFEDHM C#C[C@H]1CCCCN1c1cc(Br)ccc1-c1nnn[n-]1 ZINC001602696605 1096354175 /nfs/dbraw/zinc/35/41/75/1096354175.db2.gz KSURBXUQQZRTJY-NSHDSACASA-N -1 3 332.205 2.621 20 30 EFEDHM C#C[C@H]1CCCCN1c1cc(Br)ccc1-c1nn[n-]n1 ZINC001602696605 1096354184 /nfs/dbraw/zinc/35/41/84/1096354184.db2.gz KSURBXUQQZRTJY-NSHDSACASA-N -1 3 332.205 2.621 20 30 EFEDHM C#CCCCCCC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001602709756 1096354767 /nfs/dbraw/zinc/35/47/67/1096354767.db2.gz JBKPQHXNTYHGBC-UHFFFAOYSA-N -1 3 325.416 2.802 20 30 EFEDHM C#CCCCCCC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001602709756 1096354779 /nfs/dbraw/zinc/35/47/79/1096354779.db2.gz JBKPQHXNTYHGBC-UHFFFAOYSA-N -1 3 325.416 2.802 20 30 EFEDHM C#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001602706009 1096355701 /nfs/dbraw/zinc/35/57/01/1096355701.db2.gz JMAQMEUIZZCZHR-UHFFFAOYSA-N -1 3 338.289 2.732 20 30 EFEDHM C#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001602706009 1096355706 /nfs/dbraw/zinc/35/57/06/1096355706.db2.gz JMAQMEUIZZCZHR-UHFFFAOYSA-N -1 3 338.289 2.732 20 30 EFEDHM C#CCOc1ccc(C(=O)Nc2scc(C)c2-c2nnn[n-]2)cc1 ZINC001602731907 1096357759 /nfs/dbraw/zinc/35/77/59/1096357759.db2.gz HMDYYBLFPRNJJW-UHFFFAOYSA-N -1 3 339.380 2.501 20 30 EFEDHM C#CCOc1ccc(C(=O)Nc2scc(C)c2-c2nn[n-]n2)cc1 ZINC001602731907 1096357768 /nfs/dbraw/zinc/35/77/68/1096357768.db2.gz HMDYYBLFPRNJJW-UHFFFAOYSA-N -1 3 339.380 2.501 20 30 EFEDHM C#C[C@H]1CC[C@H](NC(=O)Nc2scc(C)c2-c2nnn[n-]2)CC1 ZINC001602735393 1096357850 /nfs/dbraw/zinc/35/78/50/1096357850.db2.gz DVRFRLAPUZWZGE-XYPYZODXSA-N -1 3 330.417 2.550 20 30 EFEDHM C#C[C@H]1CC[C@H](NC(=O)Nc2scc(C)c2-c2nn[n-]n2)CC1 ZINC001602735393 1096357856 /nfs/dbraw/zinc/35/78/56/1096357856.db2.gz DVRFRLAPUZWZGE-XYPYZODXSA-N -1 3 330.417 2.550 20 30 EFEDHM C#CCSCCNc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001602732573 1096357938 /nfs/dbraw/zinc/35/79/38/1096357938.db2.gz AWLVTNAUJRYSIS-UHFFFAOYSA-N -1 3 344.831 2.847 20 30 EFEDHM C#CCSCCNc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001602732573 1096357943 /nfs/dbraw/zinc/35/79/43/1096357943.db2.gz AWLVTNAUJRYSIS-UHFFFAOYSA-N -1 3 344.831 2.847 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC001602741710 1096359430 /nfs/dbraw/zinc/35/94/30/1096359430.db2.gz WTHPCQJOVPUPOF-UHFFFAOYSA-N -1 3 348.366 2.525 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC001602741710 1096359437 /nfs/dbraw/zinc/35/94/37/1096359437.db2.gz WTHPCQJOVPUPOF-UHFFFAOYSA-N -1 3 348.366 2.525 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001602753298 1096363207 /nfs/dbraw/zinc/36/32/07/1096363207.db2.gz NNRHAXUIYOJYEX-WFASDCNBSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001602753298 1096363215 /nfs/dbraw/zinc/36/32/15/1096363215.db2.gz NNRHAXUIYOJYEX-WFASDCNBSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001602753296 1096363283 /nfs/dbraw/zinc/36/32/83/1096363283.db2.gz NNRHAXUIYOJYEX-IUODEOHRSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001602753296 1096363290 /nfs/dbraw/zinc/36/32/90/1096363290.db2.gz NNRHAXUIYOJYEX-IUODEOHRSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(C)[C@@H](C)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602752571 1096363956 /nfs/dbraw/zinc/36/39/56/1096363956.db2.gz FAPVSKGEIDBYKS-IUODEOHRSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C(C)[C@@H](C)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602752571 1096363966 /nfs/dbraw/zinc/36/39/66/1096363966.db2.gz FAPVSKGEIDBYKS-IUODEOHRSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001602753656 1096363983 /nfs/dbraw/zinc/36/39/83/1096363983.db2.gz RGBHKENSFGDHEA-CYBMUJFWSA-N -1 3 325.416 2.964 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001602753656 1096363992 /nfs/dbraw/zinc/36/39/92/1096363992.db2.gz RGBHKENSFGDHEA-CYBMUJFWSA-N -1 3 325.416 2.964 20 30 EFEDHM C=C(C)CCOC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001602758445 1096364938 /nfs/dbraw/zinc/36/49/38/1096364938.db2.gz IISAMPVRRWBQME-UHFFFAOYSA-N -1 3 325.328 2.645 20 30 EFEDHM C=C(C)CCOC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001602758445 1096364947 /nfs/dbraw/zinc/36/49/47/1096364947.db2.gz IISAMPVRRWBQME-UHFFFAOYSA-N -1 3 325.328 2.645 20 30 EFEDHM C=C(C)CCC(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602759973 1096365352 /nfs/dbraw/zinc/36/53/52/1096365352.db2.gz VAKWUCQHIZLFLY-LBPRGKRZSA-N -1 3 346.410 2.669 20 30 EFEDHM C=C(C)CCC(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602759973 1096365359 /nfs/dbraw/zinc/36/53/59/1096365359.db2.gz VAKWUCQHIZLFLY-LBPRGKRZSA-N -1 3 346.410 2.669 20 30 EFEDHM C=C(CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602768421 1096366999 /nfs/dbraw/zinc/36/69/99/1096366999.db2.gz XJNHTFKEEZOIJR-UHFFFAOYSA-N -1 3 339.786 2.963 20 30 EFEDHM C=C(CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602768421 1096367008 /nfs/dbraw/zinc/36/70/08/1096367008.db2.gz XJNHTFKEEZOIJR-UHFFFAOYSA-N -1 3 339.786 2.963 20 30 EFEDHM C=C(CC)CNC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602767289 1096368112 /nfs/dbraw/zinc/36/81/12/1096368112.db2.gz CZXFHQGRRJVPPQ-UHFFFAOYSA-N -1 3 340.431 2.722 20 30 EFEDHM C=C(CC)CNC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602767289 1096368120 /nfs/dbraw/zinc/36/81/20/1096368120.db2.gz CZXFHQGRRJVPPQ-UHFFFAOYSA-N -1 3 340.431 2.722 20 30 EFEDHM C=C1CCC(CNc2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)CC1 ZINC001602775563 1096369402 /nfs/dbraw/zinc/36/94/02/1096369402.db2.gz NUXWFMIDNTXMOR-UHFFFAOYSA-N -1 3 329.364 2.515 20 30 EFEDHM C=C1CCC(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)CC1 ZINC001602775563 1096369408 /nfs/dbraw/zinc/36/94/08/1096369408.db2.gz NUXWFMIDNTXMOR-UHFFFAOYSA-N -1 3 329.364 2.515 20 30 EFEDHM C=CC(C)(C)CCNC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602786861 1096370876 /nfs/dbraw/zinc/37/08/76/1096370876.db2.gz NNSSJPLXNAXNLB-UHFFFAOYSA-N -1 3 327.432 2.745 20 30 EFEDHM C=CC(C)(C)CCNC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602786861 1096370880 /nfs/dbraw/zinc/37/08/80/1096370880.db2.gz NNSSJPLXNAXNLB-UHFFFAOYSA-N -1 3 327.432 2.745 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001602786989 1096370901 /nfs/dbraw/zinc/37/09/01/1096370901.db2.gz UEBXTQKDNFSKKO-UHFFFAOYSA-N -1 3 334.449 2.672 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001602786989 1096370910 /nfs/dbraw/zinc/37/09/10/1096370910.db2.gz UEBXTQKDNFSKKO-UHFFFAOYSA-N -1 3 334.449 2.672 20 30 EFEDHM C=C[C@H](CC)CC(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001602801211 1096371707 /nfs/dbraw/zinc/37/17/07/1096371707.db2.gz SGTZZKUPDBNDST-GFCCVEGCSA-N -1 3 326.404 2.668 20 30 EFEDHM C=C[C@H](CC)CC(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001602801211 1096371712 /nfs/dbraw/zinc/37/17/12/1096371712.db2.gz SGTZZKUPDBNDST-GFCCVEGCSA-N -1 3 326.404 2.668 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602793885 1096372312 /nfs/dbraw/zinc/37/23/12/1096372312.db2.gz FYVYNHZAQBWYLF-FZKQIMNGSA-N -1 3 343.431 2.615 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602793885 1096372320 /nfs/dbraw/zinc/37/23/20/1096372320.db2.gz FYVYNHZAQBWYLF-FZKQIMNGSA-N -1 3 343.431 2.615 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602793888 1096372554 /nfs/dbraw/zinc/37/25/54/1096372554.db2.gz FYVYNHZAQBWYLF-SCLBCKFNSA-N -1 3 343.431 2.615 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602793888 1096372561 /nfs/dbraw/zinc/37/25/61/1096372561.db2.gz FYVYNHZAQBWYLF-SCLBCKFNSA-N -1 3 343.431 2.615 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2 ZINC001602816032 1096375005 /nfs/dbraw/zinc/37/50/05/1096375005.db2.gz GXABTZCWQUWBIC-VIFPVBQESA-N -1 3 348.357 2.536 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2 ZINC001602816032 1096375012 /nfs/dbraw/zinc/37/50/12/1096375012.db2.gz GXABTZCWQUWBIC-VIFPVBQESA-N -1 3 348.357 2.536 20 30 EFEDHM C=CC[C@H](CC)NC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001602811392 1096375051 /nfs/dbraw/zinc/37/50/51/1096375051.db2.gz LBKMXYYTGONWSJ-LBPRGKRZSA-N -1 3 346.460 2.743 20 30 EFEDHM C=CC[C@H](CC)NC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001602811392 1096375057 /nfs/dbraw/zinc/37/50/57/1096375057.db2.gz LBKMXYYTGONWSJ-LBPRGKRZSA-N -1 3 346.460 2.743 20 30 EFEDHM C=C[C@H](NCc1ccc(CNC(=O)OC(C)(C)C)cc1F)C(=O)[O-] ZINC001602818508 1096375932 /nfs/dbraw/zinc/37/59/32/1096375932.db2.gz AHXYQVUDNBJDLM-AWEZNQCLSA-N -1 3 338.379 2.579 20 30 EFEDHM C=CCC(C)(C)c1noc(COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001602811401 1096376139 /nfs/dbraw/zinc/37/61/39/1096376139.db2.gz LIXKYALFVORDQW-UHFFFAOYSA-N -1 3 326.360 2.682 20 30 EFEDHM C=CCC1(NC(=O)COc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001602818302 1096376287 /nfs/dbraw/zinc/37/62/87/1096376287.db2.gz LHFGIKCPQLJCEB-UHFFFAOYSA-N -1 3 341.415 2.641 20 30 EFEDHM C=CCC1(NC(=O)COc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001602818302 1096376295 /nfs/dbraw/zinc/37/62/95/1096376295.db2.gz LHFGIKCPQLJCEB-UHFFFAOYSA-N -1 3 341.415 2.641 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602822776 1096377382 /nfs/dbraw/zinc/37/73/82/1096377382.db2.gz FQOSFNXLXFIIHD-UONOGXRCSA-N -1 3 340.431 2.925 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602822776 1096377389 /nfs/dbraw/zinc/37/73/89/1096377389.db2.gz FQOSFNXLXFIIHD-UONOGXRCSA-N -1 3 340.431 2.925 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602822770 1096377801 /nfs/dbraw/zinc/37/78/01/1096377801.db2.gz FQOSFNXLXFIIHD-KBPBESRZSA-N -1 3 340.431 2.925 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602822770 1096377809 /nfs/dbraw/zinc/37/78/09/1096377809.db2.gz FQOSFNXLXFIIHD-KBPBESRZSA-N -1 3 340.431 2.925 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)C1 ZINC001602823038 1096377829 /nfs/dbraw/zinc/37/78/29/1096377829.db2.gz HTDCICPRXPQFOW-VIFPVBQESA-N -1 3 334.330 2.575 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)C1 ZINC001602823038 1096377840 /nfs/dbraw/zinc/37/78/40/1096377840.db2.gz HTDCICPRXPQFOW-VIFPVBQESA-N -1 3 334.330 2.575 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602833336 1096378827 /nfs/dbraw/zinc/37/88/27/1096378827.db2.gz KDAZMIJQFAHXKB-GFCCVEGCSA-N -1 3 330.367 2.968 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602833336 1096378834 /nfs/dbraw/zinc/37/88/34/1096378834.db2.gz KDAZMIJQFAHXKB-GFCCVEGCSA-N -1 3 330.367 2.968 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602834333 1096380068 /nfs/dbraw/zinc/38/00/68/1096380068.db2.gz PRWUWEXUQXMZME-LRDDRELGSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602834333 1096380076 /nfs/dbraw/zinc/38/00/76/1096380076.db2.gz PRWUWEXUQXMZME-LRDDRELGSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCCCNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602840281 1096380790 /nfs/dbraw/zinc/38/07/90/1096380790.db2.gz USNTYEZUKYPTSV-UHFFFAOYSA-N -1 3 325.416 2.761 20 30 EFEDHM C=CCCCNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602840281 1096380794 /nfs/dbraw/zinc/38/07/94/1096380794.db2.gz USNTYEZUKYPTSV-UHFFFAOYSA-N -1 3 325.416 2.761 20 30 EFEDHM C=CCCO[C@H](C)C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602840819 1096381055 /nfs/dbraw/zinc/38/10/55/1096381055.db2.gz GNINOEPOVNRDEN-CQSZACIVSA-N -1 3 343.431 2.837 20 30 EFEDHM C=CCCO[C@H](C)C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602840819 1096381063 /nfs/dbraw/zinc/38/10/63/1096381063.db2.gz GNINOEPOVNRDEN-CQSZACIVSA-N -1 3 343.431 2.837 20 30 EFEDHM C=CCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001602847440 1096382338 /nfs/dbraw/zinc/38/23/38/1096382338.db2.gz SVXLSSKAXZBEGL-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM C=CCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001602847440 1096382346 /nfs/dbraw/zinc/38/23/46/1096382346.db2.gz SVXLSSKAXZBEGL-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@H](C)C1 ZINC001602856250 1096385246 /nfs/dbraw/zinc/38/52/46/1096385246.db2.gz ALHAKFNJOPWGPC-XJKSGUPXSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@H](C)C1 ZINC001602856250 1096385254 /nfs/dbraw/zinc/38/52/54/1096385254.db2.gz ALHAKFNJOPWGPC-XJKSGUPXSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC1(C)C ZINC001602856294 1096385275 /nfs/dbraw/zinc/38/52/75/1096385275.db2.gz CETCWIHRTABQSC-OAHLLOKOSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC1(C)C ZINC001602856294 1096385287 /nfs/dbraw/zinc/38/52/87/1096385287.db2.gz CETCWIHRTABQSC-OAHLLOKOSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=C)CC(C)C ZINC001602853656 1096385501 /nfs/dbraw/zinc/38/55/01/1096385501.db2.gz HBAUJFVNNHVIAD-UHFFFAOYSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=C)CC(C)C ZINC001602853656 1096385508 /nfs/dbraw/zinc/38/55/08/1096385508.db2.gz HBAUJFVNNHVIAD-UHFFFAOYSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1ccnn1CC1CC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602860213 1096387563 /nfs/dbraw/zinc/38/75/63/1096387563.db2.gz WZBQTEBTNVVIOK-UHFFFAOYSA-N -1 3 349.442 2.661 20 30 EFEDHM C=CCN(Cc1ccnn1CC1CC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602860213 1096387571 /nfs/dbraw/zinc/38/75/71/1096387571.db2.gz WZBQTEBTNVVIOK-UHFFFAOYSA-N -1 3 349.442 2.661 20 30 EFEDHM C=CCOCCCC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602869327 1096389821 /nfs/dbraw/zinc/38/98/21/1096389821.db2.gz BUVNNIHZYYPVAD-UHFFFAOYSA-N -1 3 327.388 2.665 20 30 EFEDHM C=CCOCCCC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602869327 1096389830 /nfs/dbraw/zinc/38/98/30/1096389830.db2.gz BUVNNIHZYYPVAD-UHFFFAOYSA-N -1 3 327.388 2.665 20 30 EFEDHM C=CCn1c(C)nnc1SCc1ccc(-c2nnn[n-]2)cc1C ZINC001602880147 1096392403 /nfs/dbraw/zinc/39/24/03/1096392403.db2.gz RAOHJJAUKQLMKJ-UHFFFAOYSA-N -1 3 327.417 2.553 20 30 EFEDHM C=CCn1c(C)nnc1SCc1ccc(-c2nn[n-]n2)cc1C ZINC001602880147 1096392408 /nfs/dbraw/zinc/39/24/08/1096392408.db2.gz RAOHJJAUKQLMKJ-UHFFFAOYSA-N -1 3 327.417 2.553 20 30 EFEDHM CC#CCCOc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001602894273 1096394058 /nfs/dbraw/zinc/39/40/58/1096394058.db2.gz TYDPHVDNMPKJOW-UHFFFAOYSA-N -1 3 325.141 2.561 20 30 EFEDHM CC#CCCOc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001602894273 1096394064 /nfs/dbraw/zinc/39/40/64/1096394064.db2.gz TYDPHVDNMPKJOW-UHFFFAOYSA-N -1 3 325.141 2.561 20 30 EFEDHM CC(=NNC[C@@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC001602906837 1096396759 /nfs/dbraw/zinc/39/67/59/1096396759.db2.gz ZKSWQJOSWTUDBO-NSHDSACASA-N -1 3 338.337 2.755 20 30 EFEDHM CC(=NNC[C@@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC001602906837 1096396764 /nfs/dbraw/zinc/39/67/64/1096396764.db2.gz ZKSWQJOSWTUDBO-NSHDSACASA-N -1 3 338.337 2.755 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(CC2CCC2)c1 ZINC001602908484 1096397228 /nfs/dbraw/zinc/39/72/28/1096397228.db2.gz YTHDDPRKWKKWQY-UHFFFAOYSA-N -1 3 336.403 2.699 20 30 EFEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1ccc(-c2nnn[n-]2)s1 ZINC001602907938 1096397645 /nfs/dbraw/zinc/39/76/45/1096397645.db2.gz DFUHLYWJEMMMJZ-UHFFFAOYSA-N -1 3 342.432 2.852 20 30 EFEDHM CC(N=Nc1ncnc2sccc21)c1ccccc1-c1nnn[n-]1 ZINC001602908247 1096397947 /nfs/dbraw/zinc/39/79/47/1096397947.db2.gz QGMFRBNTBHRCIL-UHFFFAOYSA-N -1 3 336.384 2.708 20 30 EFEDHM CC(N=Nc1ncnc2sccc21)c1ccccc1-c1nn[n-]n1 ZINC001602908247 1096397952 /nfs/dbraw/zinc/39/79/52/1096397952.db2.gz QGMFRBNTBHRCIL-UHFFFAOYSA-N -1 3 336.384 2.708 20 30 EFEDHM CC(C)(C#N)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001603034589 1096421873 /nfs/dbraw/zinc/42/18/73/1096421873.db2.gz KEBDSUNFYUSUFW-UHFFFAOYSA-N -1 3 349.192 2.508 20 30 EFEDHM CC(C)(C#N)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001603034589 1096421881 /nfs/dbraw/zinc/42/18/81/1096421881.db2.gz KEBDSUNFYUSUFW-UHFFFAOYSA-N -1 3 349.192 2.508 20 30 EFEDHM CC(C)(C)c1ncc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cn1 ZINC001603125615 1096453586 /nfs/dbraw/zinc/45/35/86/1096453586.db2.gz OICRFAYWWJGMGG-MKMNVTDBSA-N -1 3 346.394 2.777 20 30 EFEDHM CC(C)(C)c1ncc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cn1 ZINC001603125615 1096453589 /nfs/dbraw/zinc/45/35/89/1096453589.db2.gz OICRFAYWWJGMGG-MKMNVTDBSA-N -1 3 346.394 2.777 20 30 EFEDHM CC(C)C[C@@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603263568 1096488725 /nfs/dbraw/zinc/48/87/25/1096488725.db2.gz QFBTVHFXFICGRB-DOMZBBRYSA-N -1 3 327.388 2.527 20 30 EFEDHM CC(C)C[C@@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603263568 1096488728 /nfs/dbraw/zinc/48/87/28/1096488728.db2.gz QFBTVHFXFICGRB-DOMZBBRYSA-N -1 3 327.388 2.527 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603283686 1096495690 /nfs/dbraw/zinc/49/56/90/1096495690.db2.gz RWVVMHGJLJKZQC-UHFFFAOYSA-N -1 3 345.382 2.799 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603283686 1096495697 /nfs/dbraw/zinc/49/56/97/1096495697.db2.gz RWVVMHGJLJKZQC-UHFFFAOYSA-N -1 3 345.382 2.799 20 30 EFEDHM CC(C)CN(CCC#N)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001603288106 1096496292 /nfs/dbraw/zinc/49/62/92/1096496292.db2.gz CBEXGAKEZZSIHO-UHFFFAOYSA-N -1 3 332.795 2.532 20 30 EFEDHM CC(C)CN(CCC#N)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001603288106 1096496295 /nfs/dbraw/zinc/49/62/95/1096496295.db2.gz CBEXGAKEZZSIHO-UHFFFAOYSA-N -1 3 332.795 2.532 20 30 EFEDHM CC(C)CO[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cn2)C1(C)C ZINC001603299531 1096498766 /nfs/dbraw/zinc/49/87/66/1096498766.db2.gz LSZGSRGVPAZHOT-ZDUSSCGKSA-N -1 3 329.408 2.501 20 30 EFEDHM CC(C)CO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cn2)C1(C)C ZINC001603299531 1096498768 /nfs/dbraw/zinc/49/87/68/1096498768.db2.gz LSZGSRGVPAZHOT-ZDUSSCGKSA-N -1 3 329.408 2.501 20 30 EFEDHM CC(C)c1ccc2ncc(-c3nnn[n-]3)c(NCC3(C#N)CC3)c2c1 ZINC001603399059 1096520061 /nfs/dbraw/zinc/52/00/61/1096520061.db2.gz OVGFCSSOCBZBIE-UHFFFAOYSA-N -1 3 333.399 2.676 20 30 EFEDHM CC(C)c1ccc2ncc(-c3nn[n-]n3)c(NCC3(C#N)CC3)c2c1 ZINC001603399059 1096520064 /nfs/dbraw/zinc/52/00/64/1096520064.db2.gz OVGFCSSOCBZBIE-UHFFFAOYSA-N -1 3 333.399 2.676 20 30 EFEDHM CC(C)c1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)cc1)C(=O)N2 ZINC001603399247 1096521068 /nfs/dbraw/zinc/52/10/68/1096521068.db2.gz XQRIVHLVNCSDPH-UHFFFAOYSA-N -1 3 347.382 2.758 20 30 EFEDHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCCCCC#N ZINC001603569136 1096554102 /nfs/dbraw/zinc/55/41/02/1096554102.db2.gz KZSVYOVISOLUQF-ZDUSSCGKSA-N -1 3 343.387 2.651 20 30 EFEDHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCCCCC#N ZINC001603569136 1096554112 /nfs/dbraw/zinc/55/41/12/1096554112.db2.gz KZSVYOVISOLUQF-ZDUSSCGKSA-N -1 3 343.387 2.651 20 30 EFEDHM C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001603607345 1096565175 /nfs/dbraw/zinc/56/51/75/1096565175.db2.gz GSBFYNXILQUXKN-KPZWWZAWSA-N -1 3 336.399 2.518 20 30 EFEDHM C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001603607345 1096565182 /nfs/dbraw/zinc/56/51/82/1096565182.db2.gz GSBFYNXILQUXKN-KPZWWZAWSA-N -1 3 336.399 2.518 20 30 EFEDHM C[C@@H](OC(=O)c1cscc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001603704982 1096595987 /nfs/dbraw/zinc/59/59/87/1096595987.db2.gz OULMQWRCRNKBDT-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](OC(=O)c1cscc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001603704982 1096595992 /nfs/dbraw/zinc/59/59/92/1096595992.db2.gz OULMQWRCRNKBDT-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603735724 1096609120 /nfs/dbraw/zinc/60/91/20/1096609120.db2.gz VUIMHOAUOXGZGG-CYBMUJFWSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603735724 1096609124 /nfs/dbraw/zinc/60/91/24/1096609124.db2.gz VUIMHOAUOXGZGG-CYBMUJFWSA-N -1 3 346.394 2.500 20 30 EFEDHM CC1(C)C[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)C(C)(C)O1 ZINC001603762135 1096617069 /nfs/dbraw/zinc/61/70/69/1096617069.db2.gz BIUQXPXIXJCCEO-GFCCVEGCSA-N -1 3 326.404 2.744 20 30 EFEDHM CC1(C)C[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)C(C)(C)O1 ZINC001603762135 1096617073 /nfs/dbraw/zinc/61/70/73/1096617073.db2.gz BIUQXPXIXJCCEO-GFCCVEGCSA-N -1 3 326.404 2.744 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001603892625 1096661956 /nfs/dbraw/zinc/66/19/56/1096661956.db2.gz PWBWVHIJGUUPLL-NXEZZACHSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001603892625 1096661958 /nfs/dbraw/zinc/66/19/58/1096661958.db2.gz PWBWVHIJGUUPLL-NXEZZACHSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@@H]1CCCC[C@H]1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001603892956 1096662688 /nfs/dbraw/zinc/66/26/88/1096662688.db2.gz UAUJDJHYXJXRGU-ZJUUUORDSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@@H]1CCCC[C@H]1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001603892956 1096662690 /nfs/dbraw/zinc/66/26/90/1096662690.db2.gz UAUJDJHYXJXRGU-ZJUUUORDSA-N -1 3 329.433 2.634 20 30 EFEDHM CC[C@@H](C#N)Sc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC001603977831 1096685821 /nfs/dbraw/zinc/68/58/21/1096685821.db2.gz JWMCLIHBGJTNAC-ZETCQYMHSA-N -1 3 328.323 2.983 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001604025937 1096702721 /nfs/dbraw/zinc/70/27/21/1096702721.db2.gz UVQMYRBMFGPEGU-UHFFFAOYSA-N -1 3 340.431 2.967 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001604025937 1096702726 /nfs/dbraw/zinc/70/27/26/1096702726.db2.gz UVQMYRBMFGPEGU-UHFFFAOYSA-N -1 3 340.431 2.967 20 30 EFEDHM CCCCCCC[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001604176797 1096763489 /nfs/dbraw/zinc/76/34/89/1096763489.db2.gz YGTUXRYEUMLXOD-CYBMUJFWSA-N -1 3 330.436 2.988 20 30 EFEDHM CCCCCCC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001604176797 1096763492 /nfs/dbraw/zinc/76/34/92/1096763492.db2.gz YGTUXRYEUMLXOD-CYBMUJFWSA-N -1 3 330.436 2.988 20 30 EFEDHM CCOCC(C)N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001604421722 1096848279 /nfs/dbraw/zinc/84/82/79/1096848279.db2.gz KKQWGDXXVWDCEB-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM CCOCC(C)N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001604421722 1096848287 /nfs/dbraw/zinc/84/82/87/1096848287.db2.gz KKQWGDXXVWDCEB-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C#N)cc1F ZINC001604510407 1096884310 /nfs/dbraw/zinc/88/43/10/1096884310.db2.gz UVWIXTIEIRSOPR-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C#N)cc1F ZINC001604510407 1096884316 /nfs/dbraw/zinc/88/43/16/1096884316.db2.gz UVWIXTIEIRSOPR-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001604511441 1096886476 /nfs/dbraw/zinc/88/64/76/1096886476.db2.gz ZUDYTMIAMJWTIW-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001604511441 1096886483 /nfs/dbraw/zinc/88/64/83/1096886483.db2.gz ZUDYTMIAMJWTIW-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CN(C(=O)c1csc(C#N)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001604665764 1096927633 /nfs/dbraw/zinc/92/76/33/1096927633.db2.gz HBVUHDLFJDAEQH-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1csc(C#N)c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001604665764 1096927636 /nfs/dbraw/zinc/92/76/36/1096927636.db2.gz HBVUHDLFJDAEQH-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1cccc(C#N)c1F ZINC001604801836 1096960313 /nfs/dbraw/zinc/96/03/13/1096960313.db2.gz UHUJRGHLOPZLHB-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1cccc(C#N)c1F ZINC001604801836 1096960318 /nfs/dbraw/zinc/96/03/18/1096960318.db2.gz UHUJRGHLOPZLHB-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CO[C@H](C(C)=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001604996091 1096995490 /nfs/dbraw/zinc/99/54/90/1096995490.db2.gz SQFCGJSBBLYMQL-QGZVFWFLSA-N -1 3 336.399 2.720 20 30 EFEDHM CO[C@H](C(C)=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001604996091 1096995494 /nfs/dbraw/zinc/99/54/94/1096995494.db2.gz SQFCGJSBBLYMQL-QGZVFWFLSA-N -1 3 336.399 2.720 20 30 EFEDHM COc1cc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc(OC)c1 ZINC001605205338 1097051151 /nfs/dbraw/zinc/05/11/51/1097051151.db2.gz JCZAPMVEAOFBES-BQYQJAHWSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc(OC)c1 ZINC001605205338 1097051159 /nfs/dbraw/zinc/05/11/59/1097051159.db2.gz JCZAPMVEAOFBES-BQYQJAHWSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(OCC#Cc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC001605238801 1097064731 /nfs/dbraw/zinc/06/47/31/1097064731.db2.gz GWXVLTIDKUFGLY-UHFFFAOYSA-N -1 3 340.770 2.959 20 30 EFEDHM COc1cc(OCC#Cc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC001605238801 1097064735 /nfs/dbraw/zinc/06/47/35/1097064735.db2.gz GWXVLTIDKUFGLY-UHFFFAOYSA-N -1 3 340.770 2.959 20 30 EFEDHM COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC001605269994 1097076063 /nfs/dbraw/zinc/07/60/63/1097076063.db2.gz LMAWPNPSNKLCRV-VQHVLOKHSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC001605269994 1097076070 /nfs/dbraw/zinc/07/60/70/1097076070.db2.gz LMAWPNPSNKLCRV-VQHVLOKHSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc2c(c1F)CCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001605309122 1097090148 /nfs/dbraw/zinc/09/01/48/1097090148.db2.gz FHOHPFMCJZOIKP-UHFFFAOYSA-N -1 3 338.346 2.777 20 30 EFEDHM CCN(CC)c1ccc(/C=[NH+]/CC2(C(=O)[O-])CCOCC2)c([O-])c1 ZINC001605435035 1097124819 /nfs/dbraw/zinc/12/48/19/1097124819.db2.gz SIWNKQRXKGYGBC-XDHOZWIPSA-N -1 3 334.416 2.539 20 30 EFEDHM C[C@H](OC(=O)Cc1ccccc1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001605442416 1097126278 /nfs/dbraw/zinc/12/62/78/1097126278.db2.gz OQWKEUPDRYTFLS-ZDUSSCGKSA-N -1 3 347.378 2.780 20 30 EFEDHM C[C@H](OC(=O)Cc1ccccc1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001605442416 1097126282 /nfs/dbraw/zinc/12/62/82/1097126282.db2.gz OQWKEUPDRYTFLS-ZDUSSCGKSA-N -1 3 347.378 2.780 20 30 EFEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)NCCCCC#N ZINC001605476056 1097133569 /nfs/dbraw/zinc/13/35/69/1097133569.db2.gz XCJFMRNFJAMING-UHFFFAOYSA-N -1 3 340.412 2.814 20 30 EFEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)NCCCCC#N ZINC001605476056 1097133573 /nfs/dbraw/zinc/13/35/73/1097133573.db2.gz XCJFMRNFJAMING-UHFFFAOYSA-N -1 3 340.412 2.814 20 30 EFEDHM Cc1c(C(=O)O[C@H](C)c2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC001605486368 1097135485 /nfs/dbraw/zinc/13/54/85/1097135485.db2.gz SMCVTMHJJVAGIF-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c(C(=O)O[C@H](C)c2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC001605486368 1097135489 /nfs/dbraw/zinc/13/54/89/1097135489.db2.gz SMCVTMHJJVAGIF-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)OC(C)(C)C#N ZINC001605485151 1097135999 /nfs/dbraw/zinc/13/59/99/1097135999.db2.gz LCIMRCGQZXNTNW-UHFFFAOYSA-N -1 3 327.369 2.849 20 30 EFEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)OC(C)(C)C#N ZINC001605485151 1097136001 /nfs/dbraw/zinc/13/60/01/1097136001.db2.gz LCIMRCGQZXNTNW-UHFFFAOYSA-N -1 3 327.369 2.849 20 30 EFEDHM Cc1c(Cl)cnc(NCCc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001605492244 1097137213 /nfs/dbraw/zinc/13/72/13/1097137213.db2.gz UVPPJBKLPPMXFH-UHFFFAOYSA-N -1 3 339.790 2.750 20 30 EFEDHM Cc1c(Cl)cnc(NCCc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001605492244 1097137217 /nfs/dbraw/zinc/13/72/17/1097137217.db2.gz UVPPJBKLPPMXFH-UHFFFAOYSA-N -1 3 339.790 2.750 20 30 EFEDHM Cc1c(NC(=O)C2(c3cccc(C#N)c3)CC2)cccc1-c1nnn[n-]1 ZINC001605495579 1097137228 /nfs/dbraw/zinc/13/72/28/1097137228.db2.gz CUTSLYBEDJBBRS-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1c(NC(=O)C2(c3cccc(C#N)c3)CC2)cccc1-c1nn[n-]n1 ZINC001605495579 1097137232 /nfs/dbraw/zinc/13/72/32/1097137232.db2.gz CUTSLYBEDJBBRS-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1c2c(nc(SCc3ccncc3C#N)c1-c1nnn[n-]1)CCC2 ZINC001605499620 1097139494 /nfs/dbraw/zinc/13/94/94/1097139494.db2.gz UJQOFKZCORGZHN-UHFFFAOYSA-N -1 3 349.423 2.618 20 30 EFEDHM Cc1c2c(nc(SCc3ccncc3C#N)c1-c1nn[n-]n1)CCC2 ZINC001605499620 1097139495 /nfs/dbraw/zinc/13/94/95/1097139495.db2.gz UJQOFKZCORGZHN-UHFFFAOYSA-N -1 3 349.423 2.618 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)OCC(C)(C)CCC#N ZINC001605513057 1097142768 /nfs/dbraw/zinc/14/27/68/1097142768.db2.gz FNHROJFEMZNIKJ-UHFFFAOYSA-N -1 3 327.388 2.970 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)OCC(C)(C)CCC#N ZINC001605513057 1097142770 /nfs/dbraw/zinc/14/27/70/1097142770.db2.gz FNHROJFEMZNIKJ-UHFFFAOYSA-N -1 3 327.388 2.970 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)OCc1ccc(CC#N)cc1 ZINC001605516585 1097143806 /nfs/dbraw/zinc/14/38/06/1097143806.db2.gz VCFWDKHHTSCFOA-UHFFFAOYSA-N -1 3 347.378 2.907 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)OCc1ccc(CC#N)cc1 ZINC001605516585 1097143809 /nfs/dbraw/zinc/14/38/09/1097143809.db2.gz VCFWDKHHTSCFOA-UHFFFAOYSA-N -1 3 347.378 2.907 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c1 ZINC001605589376 1097164879 /nfs/dbraw/zinc/16/48/79/1097164879.db2.gz YTOUNIALPBIHAH-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CN1CCc2c1cccc2-c1nnn[n-]1 ZINC001605589394 1097165024 /nfs/dbraw/zinc/16/50/24/1097165024.db2.gz YVSHXKSXMQEQEX-UHFFFAOYSA-N -1 3 330.395 2.918 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CN1CCc2c1cccc2-c1nn[n-]n1 ZINC001605589394 1097165029 /nfs/dbraw/zinc/16/50/29/1097165029.db2.gz YVSHXKSXMQEQEX-UHFFFAOYSA-N -1 3 330.395 2.918 20 30 EFEDHM Cc1cc(N2CCC(c3ccc(C#N)cc3)CC2)ncc1-c1nnn[n-]1 ZINC001605696067 1097197441 /nfs/dbraw/zinc/19/74/41/1097197441.db2.gz YWUJRADGNBKWMZ-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(N2CCC(c3ccc(C#N)cc3)CC2)ncc1-c1nn[n-]n1 ZINC001605696067 1097197447 /nfs/dbraw/zinc/19/74/47/1097197447.db2.gz YWUJRADGNBKWMZ-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc(-c2nnn[n-]2)c1 ZINC001605703472 1097199307 /nfs/dbraw/zinc/19/93/07/1097199307.db2.gz GYJARJSOUAOEFZ-OAHLLOKOSA-N -1 3 346.394 2.886 20 30 EFEDHM Cc1cc(NC(=O)[C@@H](C#N)CCc2ccccc2)cc(-c2nn[n-]n2)c1 ZINC001605703472 1097199314 /nfs/dbraw/zinc/19/93/14/1097199314.db2.gz GYJARJSOUAOEFZ-OAHLLOKOSA-N -1 3 346.394 2.886 20 30 EFEDHM Cc1cc(NC(=O)NCC2CCC(C#N)CC2)cc(-c2nnn[n-]2)c1 ZINC001605712288 1097203249 /nfs/dbraw/zinc/20/32/49/1097203249.db2.gz BWQOPRDIZWYLNL-UHFFFAOYSA-N -1 3 339.403 2.627 20 30 EFEDHM Cc1cc(NC(=O)NCC2CCC(C#N)CC2)cc(-c2nn[n-]n2)c1 ZINC001605712288 1097203253 /nfs/dbraw/zinc/20/32/53/1097203253.db2.gz BWQOPRDIZWYLNL-UHFFFAOYSA-N -1 3 339.403 2.627 20 30 EFEDHM Cc1ccc(CNc2ccc(Cl)c(C#N)n2)cc1-c1nnn[n-]1 ZINC001605855884 1097254497 /nfs/dbraw/zinc/25/44/97/1097254497.db2.gz CQBALMMATWYLHS-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1ccc(CNc2ccc(Cl)c(C#N)n2)cc1-c1nn[n-]n1 ZINC001605855884 1097254502 /nfs/dbraw/zinc/25/45/02/1097254502.db2.gz CQBALMMATWYLHS-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1C ZINC001605859712 1097256778 /nfs/dbraw/zinc/25/67/78/1097256778.db2.gz KPICHFNIAYPQMD-UHFFFAOYSA-N -1 3 337.412 2.625 20 30 EFEDHM Cc1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1C ZINC001605859712 1097256782 /nfs/dbraw/zinc/25/67/82/1097256782.db2.gz KPICHFNIAYPQMD-UHFFFAOYSA-N -1 3 337.412 2.625 20 30 EFEDHM Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001605937884 1097281673 /nfs/dbraw/zinc/28/16/73/1097281673.db2.gz ILLJHYRINCRMAN-CYBMUJFWSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1ccccc1C[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001605937884 1097281675 /nfs/dbraw/zinc/28/16/75/1097281675.db2.gz ILLJHYRINCRMAN-CYBMUJFWSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1cnc([C@H](C)CNc2c(C#N)cccc2-c2nnn[n-]2)s1 ZINC001605978022 1097290147 /nfs/dbraw/zinc/29/01/47/1097290147.db2.gz LAIVEWLIYGAYAE-SECBINFHSA-N -1 3 325.401 2.719 20 30 EFEDHM Cc1cnc([C@H](C)CNc2c(C#N)cccc2-c2nn[n-]n2)s1 ZINC001605978022 1097290149 /nfs/dbraw/zinc/29/01/49/1097290149.db2.gz LAIVEWLIYGAYAE-SECBINFHSA-N -1 3 325.401 2.719 20 30 EFEDHM Cc1nc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)ccc1C#N ZINC001606067829 1097311678 /nfs/dbraw/zinc/31/16/78/1097311678.db2.gz YLYFPXOZUVCZID-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1nc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1C#N ZINC001606067829 1097311683 /nfs/dbraw/zinc/31/16/83/1097311683.db2.gz YLYFPXOZUVCZID-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM CN(CCC#N)c1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC001606105755 1097319714 /nfs/dbraw/zinc/31/97/14/1097319714.db2.gz KSSIQMYHIKZYFK-SFHVURJKSA-N -1 3 339.395 2.658 20 30 EFEDHM Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2F)c(C#N)c1C ZINC001606123914 1097322330 /nfs/dbraw/zinc/32/23/30/1097322330.db2.gz JMQKZCVACDJISL-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2F)c(C#N)c1C ZINC001606123914 1097322337 /nfs/dbraw/zinc/32/23/37/1097322337.db2.gz JMQKZCVACDJISL-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM CN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1Cc1ccccc1 ZINC001606237643 1097356232 /nfs/dbraw/zinc/35/62/32/1097356232.db2.gz GNKBRFJHKARIOO-UXHICEINSA-N -1 3 349.434 2.543 20 30 EFEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NC1CCn2cccc21 ZINC001606291194 1097362688 /nfs/dbraw/zinc/36/26/88/1097362688.db2.gz ZCKRFUFWEYTJGC-UHFFFAOYSA-N -1 3 347.304 2.907 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NC1CCn2cccc21 ZINC001606291194 1097362690 /nfs/dbraw/zinc/36/26/90/1097362690.db2.gz ZCKRFUFWEYTJGC-UHFFFAOYSA-N -1 3 347.304 2.907 20 30 EFEDHM FC(F)Oc1ccccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001606300934 1097366194 /nfs/dbraw/zinc/36/61/94/1097366194.db2.gz XZAYTJRWDFHDEB-UHFFFAOYSA-N -1 3 330.298 2.914 20 30 EFEDHM N#CC1(CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCCCC1 ZINC001606340356 1097388779 /nfs/dbraw/zinc/38/87/79/1097388779.db2.gz LYPUQNWEOSYEIE-UHFFFAOYSA-N -1 3 328.351 2.808 20 30 EFEDHM N#CC1(CC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCCCC1 ZINC001606340356 1097388783 /nfs/dbraw/zinc/38/87/83/1097388783.db2.gz LYPUQNWEOSYEIE-UHFFFAOYSA-N -1 3 328.351 2.808 20 30 EFEDHM N#C[C@]1(C(=O)OCc2ccccc2-c2nnn[n-]2)CC2CCC1CC2 ZINC001606340548 1097388861 /nfs/dbraw/zinc/38/88/61/1097388861.db2.gz TUYSHTZSWBRQIT-OOKWDQIISA-N -1 3 337.383 2.630 20 30 EFEDHM N#C[C@]1(C(=O)OCc2ccccc2-c2nn[n-]n2)CC2CCC1CC2 ZINC001606340548 1097388867 /nfs/dbraw/zinc/38/88/67/1097388867.db2.gz TUYSHTZSWBRQIT-OOKWDQIISA-N -1 3 337.383 2.630 20 30 EFEDHM N#CC[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001606346012 1097389704 /nfs/dbraw/zinc/38/97/04/1097389704.db2.gz UGODNIKTGUFAEP-OAHLLOKOSA-N -1 3 333.351 2.860 20 30 EFEDHM N#CC[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001606346012 1097389709 /nfs/dbraw/zinc/38/97/09/1097389709.db2.gz UGODNIKTGUFAEP-OAHLLOKOSA-N -1 3 333.351 2.860 20 30 EFEDHM N#CC[C@@H]1CCCN(c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC001606346471 1097389869 /nfs/dbraw/zinc/38/98/69/1097389869.db2.gz RVDXTWGNNCTUHK-JTQLQIEISA-N -1 3 347.220 2.759 20 30 EFEDHM N#CC[C@@H]1CCCN(c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC001606346471 1097389871 /nfs/dbraw/zinc/38/98/71/1097389871.db2.gz RVDXTWGNNCTUHK-JTQLQIEISA-N -1 3 347.220 2.759 20 30 EFEDHM N#CC1(CNc2c(-c3nnn[n-]3)cnc3ccccc32)CCCCC1 ZINC001606343345 1097389896 /nfs/dbraw/zinc/38/98/96/1097389896.db2.gz MPNBMDNTUSMCMA-UHFFFAOYSA-N -1 3 333.399 2.723 20 30 EFEDHM N#CC1(CNc2c(-c3nn[n-]n3)cnc3ccccc32)CCCCC1 ZINC001606343345 1097389899 /nfs/dbraw/zinc/38/98/99/1097389899.db2.gz MPNBMDNTUSMCMA-UHFFFAOYSA-N -1 3 333.399 2.723 20 30 EFEDHM N#CC1CCC(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001606344614 1097390156 /nfs/dbraw/zinc/39/01/56/1097390156.db2.gz OZELLZXBTTVXCS-UHFFFAOYSA-N -1 3 327.348 2.517 20 30 EFEDHM N#CC1CCC(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001606344614 1097390160 /nfs/dbraw/zinc/39/01/60/1097390160.db2.gz OZELLZXBTTVXCS-UHFFFAOYSA-N -1 3 327.348 2.517 20 30 EFEDHM N#CC[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001606345246 1097390250 /nfs/dbraw/zinc/39/02/50/1097390250.db2.gz GUIADUQNNUZGJP-CYBMUJFWSA-N -1 3 337.314 2.609 20 30 EFEDHM N#CC[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001606345246 1097390255 /nfs/dbraw/zinc/39/02/55/1097390255.db2.gz GUIADUQNNUZGJP-CYBMUJFWSA-N -1 3 337.314 2.609 20 30 EFEDHM N#CCc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC001606351117 1097391015 /nfs/dbraw/zinc/39/10/15/1097391015.db2.gz DLWBYXCIVQBFBO-UHFFFAOYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#CCc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC001606351117 1097391020 /nfs/dbraw/zinc/39/10/20/1097391020.db2.gz DLWBYXCIVQBFBO-UHFFFAOYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(-c2nnn[n-]2)cn1 ZINC001606361533 1097392386 /nfs/dbraw/zinc/39/23/86/1097392386.db2.gz IEFFTZRPULVTHF-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1cc(C(F)(F)F)ccc1NCc1ccc(-c2nn[n-]n2)cn1 ZINC001606361533 1097392390 /nfs/dbraw/zinc/39/23/90/1097392390.db2.gz IEFFTZRPULVTHF-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccc(Cl)s1 ZINC001606357221 1097392942 /nfs/dbraw/zinc/39/29/42/1097392942.db2.gz KJBMWKLRDASAOB-UHFFFAOYSA-N -1 3 349.832 2.723 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccc(Cl)s1 ZINC001606357221 1097392948 /nfs/dbraw/zinc/39/29/48/1097392948.db2.gz KJBMWKLRDASAOB-UHFFFAOYSA-N -1 3 349.832 2.723 20 30 EFEDHM N#Cc1ccc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC001606363550 1097393704 /nfs/dbraw/zinc/39/37/04/1097393704.db2.gz LVWSGWXSLJDSCL-FNORWQNLSA-N -1 3 337.289 2.913 20 30 EFEDHM N#Cc1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC001606363550 1097393711 /nfs/dbraw/zinc/39/37/11/1097393711.db2.gz LVWSGWXSLJDSCL-FNORWQNLSA-N -1 3 337.289 2.913 20 30 EFEDHM N#Cc1ccc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)c(F)c1 ZINC001606363549 1097394382 /nfs/dbraw/zinc/39/43/82/1097394382.db2.gz LVWSGWXSLJDSCL-ALCCZGGFSA-N -1 3 337.289 2.913 20 30 EFEDHM N#Cc1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)c(F)c1 ZINC001606363549 1097394386 /nfs/dbraw/zinc/39/43/86/1097394386.db2.gz LVWSGWXSLJDSCL-ALCCZGGFSA-N -1 3 337.289 2.913 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccc2ncccc2c1 ZINC001606379638 1097395814 /nfs/dbraw/zinc/39/58/14/1097395814.db2.gz GXDQJXPIXBYZHE-UHFFFAOYSA-N -1 3 341.378 2.941 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1ccc2ncccc2c1 ZINC001606379638 1097395817 /nfs/dbraw/zinc/39/58/17/1097395817.db2.gz GXDQJXPIXBYZHE-UHFFFAOYSA-N -1 3 341.378 2.941 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCO[C@H](c2ccccc2)CC1 ZINC001606380059 1097396689 /nfs/dbraw/zinc/39/66/89/1097396689.db2.gz QACOTYHQUOUIBC-KRWDZBQOSA-N -1 3 346.394 2.706 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCO[C@H](c2ccccc2)CC1 ZINC001606380059 1097396695 /nfs/dbraw/zinc/39/66/95/1097396695.db2.gz QACOTYHQUOUIBC-KRWDZBQOSA-N -1 3 346.394 2.706 20 30 EFEDHM N#Cc1cnc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c(Cl)c1 ZINC001606390228 1097398894 /nfs/dbraw/zinc/39/88/94/1097398894.db2.gz NWEJNXIRLKLFES-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM N#Cc1cnc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c(Cl)c1 ZINC001606390228 1097398899 /nfs/dbraw/zinc/39/88/99/1097398899.db2.gz NWEJNXIRLKLFES-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM O=C(C=Cc1c(F)ccc(O)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC001606482191 1097406129 /nfs/dbraw/zinc/40/61/29/1097406129.db2.gz KENQZPPVXNAMSQ-HNQUOIGGSA-N -1 3 334.307 2.808 20 30 EFEDHM O=C(C=Cc1cnn(CC2CCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606487341 1097407493 /nfs/dbraw/zinc/40/74/93/1097407493.db2.gz MRIORMGVCMLSKY-RUDMXATFSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1cnn(CC2CCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606487341 1097407495 /nfs/dbraw/zinc/40/74/95/1097407495.db2.gz MRIORMGVCMLSKY-RUDMXATFSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001607036212 1097501446 /nfs/dbraw/zinc/50/14/46/1097501446.db2.gz CKGZWTVDGWFMRU-YHYXMXQVSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001607036212 1097501451 /nfs/dbraw/zinc/50/14/51/1097501451.db2.gz CKGZWTVDGWFMRU-YHYXMXQVSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)Oc2cc(F)cc(F)c21 ZINC001607036326 1097502207 /nfs/dbraw/zinc/50/22/07/1097502207.db2.gz GXNCXCQBQYCEIF-ACAGNQJTSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)Oc2cc(F)cc(F)c21 ZINC001607036326 1097502214 /nfs/dbraw/zinc/50/22/14/1097502214.db2.gz GXNCXCQBQYCEIF-ACAGNQJTSA-N -1 3 326.262 2.761 20 30 EFEDHM O=c1[nH]c2ccccc2cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001607111903 1097518990 /nfs/dbraw/zinc/51/89/90/1097518990.db2.gz NWCCBROFXLWMCQ-UHFFFAOYSA-N -1 3 331.339 2.567 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001608084778 1097828815 /nfs/dbraw/zinc/82/88/15/1097828815.db2.gz FLNUQMGVUJCLGA-YNEHKIRRSA-N -1 3 325.368 2.641 20 30 EFEDHM C(=NNCc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001609022480 1098114266 /nfs/dbraw/zinc/11/42/66/1098114266.db2.gz UHPJLVGAIJCAST-UHFFFAOYSA-N -1 3 329.367 2.539 20 30 EFEDHM C(=NNCc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001609022480 1098114271 /nfs/dbraw/zinc/11/42/71/1098114271.db2.gz UHPJLVGAIJCAST-UHFFFAOYSA-N -1 3 329.367 2.539 20 30 EFEDHM C=C(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001609051990 1098121360 /nfs/dbraw/zinc/12/13/60/1098121360.db2.gz FNWJQFDVAYITFC-QXMHVHEDSA-N -1 3 331.379 2.710 20 30 EFEDHM C=C(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001609051990 1098121363 /nfs/dbraw/zinc/12/13/63/1098121363.db2.gz FNWJQFDVAYITFC-QXMHVHEDSA-N -1 3 331.379 2.710 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001609050818 1098121646 /nfs/dbraw/zinc/12/16/46/1098121646.db2.gz CVIWJKLMDVPLED-YVEFUNNKSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001609050818 1098121650 /nfs/dbraw/zinc/12/16/50/1098121650.db2.gz CVIWJKLMDVPLED-YVEFUNNKSA-N -1 3 336.399 2.808 20 30 EFEDHM C=CC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001609051922 1098121967 /nfs/dbraw/zinc/12/19/67/1098121967.db2.gz BOLWAUWOKGNLEU-UHFFFAOYSA-N -1 3 341.293 2.916 20 30 EFEDHM C=CC(C)(C)C(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609051922 1098121972 /nfs/dbraw/zinc/12/19/72/1098121972.db2.gz BOLWAUWOKGNLEU-UHFFFAOYSA-N -1 3 341.293 2.916 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609053334 1098122634 /nfs/dbraw/zinc/12/26/34/1098122634.db2.gz IWBVEKQKEMPNOQ-DOMZBBRYSA-N -1 3 328.420 2.924 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609053334 1098122638 /nfs/dbraw/zinc/12/26/38/1098122638.db2.gz IWBVEKQKEMPNOQ-DOMZBBRYSA-N -1 3 328.420 2.924 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052306 1098122903 /nfs/dbraw/zinc/12/29/03/1098122903.db2.gz XBIIPGAARBQUFA-YJBOKZPZSA-N -1 3 325.416 2.963 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052306 1098122905 /nfs/dbraw/zinc/12/29/05/1098122905.db2.gz XBIIPGAARBQUFA-YJBOKZPZSA-N -1 3 325.416 2.963 20 30 EFEDHM C=CCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001609053609 1098122939 /nfs/dbraw/zinc/12/29/39/1098122939.db2.gz NDXFGJFRUVHPDT-UHFFFAOYSA-N -1 3 328.420 2.827 20 30 EFEDHM C=CCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001609053609 1098122942 /nfs/dbraw/zinc/12/29/42/1098122942.db2.gz NDXFGJFRUVHPDT-UHFFFAOYSA-N -1 3 328.420 2.827 20 30 EFEDHM C=CCC[C@@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001609053309 1098122998 /nfs/dbraw/zinc/12/29/98/1098122998.db2.gz FYGXRDFSAGQPCV-JTQLQIEISA-N -1 3 327.310 2.625 20 30 EFEDHM C=CCC[C@@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001609053309 1098123003 /nfs/dbraw/zinc/12/30/03/1098123003.db2.gz FYGXRDFSAGQPCV-JTQLQIEISA-N -1 3 327.310 2.625 20 30 EFEDHM C=CCC1(NC(=O)c2cc(C)c(-c3nnn[n-]3)cn2)CCCCC1 ZINC001609053054 1098123008 /nfs/dbraw/zinc/12/30/08/1098123008.db2.gz AGDCQJHOGQPPJB-UHFFFAOYSA-N -1 3 326.404 2.579 20 30 EFEDHM C=CCC1(NC(=O)c2cc(C)c(-c3nn[n-]n3)cn2)CCCCC1 ZINC001609053054 1098123011 /nfs/dbraw/zinc/12/30/11/1098123011.db2.gz AGDCQJHOGQPPJB-UHFFFAOYSA-N -1 3 326.404 2.579 20 30 EFEDHM C=CCC1(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)CCC1 ZINC001609053646 1098123036 /nfs/dbraw/zinc/12/30/36/1098123036.db2.gz NJGCPIWXPKOUIX-UHFFFAOYSA-N -1 3 337.383 2.909 20 30 EFEDHM C=CCC1(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)CCC1 ZINC001609053646 1098123039 /nfs/dbraw/zinc/12/30/39/1098123039.db2.gz NJGCPIWXPKOUIX-UHFFFAOYSA-N -1 3 337.383 2.909 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609053337 1098123255 /nfs/dbraw/zinc/12/32/55/1098123255.db2.gz IWBVEKQKEMPNOQ-WFASDCNBSA-N -1 3 328.420 2.924 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609053337 1098123257 /nfs/dbraw/zinc/12/32/57/1098123257.db2.gz IWBVEKQKEMPNOQ-WFASDCNBSA-N -1 3 328.420 2.924 20 30 EFEDHM C=CCCCCCSCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001609053161 1098123392 /nfs/dbraw/zinc/12/33/92/1098123392.db2.gz AROGGYJFXNXYNK-UHFFFAOYSA-N -1 3 345.472 2.963 20 30 EFEDHM C=CCCCCCSCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001609053161 1098123397 /nfs/dbraw/zinc/12/33/97/1098123397.db2.gz AROGGYJFXNXYNK-UHFFFAOYSA-N -1 3 345.472 2.963 20 30 EFEDHM C=CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC)C(C)C ZINC001609056235 1098124945 /nfs/dbraw/zinc/12/49/45/1098124945.db2.gz YFWBTMREJUEKIZ-UHFFFAOYSA-N -1 3 330.392 2.694 20 30 EFEDHM C=CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC)C(C)C ZINC001609056235 1098124948 /nfs/dbraw/zinc/12/49/48/1098124948.db2.gz YFWBTMREJUEKIZ-UHFFFAOYSA-N -1 3 330.392 2.694 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NCC1CCC1 ZINC001609056702 1098124975 /nfs/dbraw/zinc/12/49/75/1098124975.db2.gz DKHPJQPUBNCYQH-UHFFFAOYSA-N -1 3 342.472 2.529 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NCC1CCC1 ZINC001609056702 1098124978 /nfs/dbraw/zinc/12/49/78/1098124978.db2.gz DKHPJQPUBNCYQH-UHFFFAOYSA-N -1 3 342.472 2.529 20 30 EFEDHM CC#CCCCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC001609059840 1098125896 /nfs/dbraw/zinc/12/58/96/1098125896.db2.gz MJZFAUYZPJCTME-UHFFFAOYSA-N -1 3 334.763 2.628 20 30 EFEDHM CC#CCCCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC001609059840 1098125902 /nfs/dbraw/zinc/12/59/02/1098125902.db2.gz MJZFAUYZPJCTME-UHFFFAOYSA-N -1 3 334.763 2.628 20 30 EFEDHM CC(=NOCC1CC1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001609061482 1098127242 /nfs/dbraw/zinc/12/72/42/1098127242.db2.gz GWBULFSSQLVYRQ-UHFFFAOYSA-N -1 3 337.387 2.511 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609073610 1098130847 /nfs/dbraw/zinc/13/08/47/1098130847.db2.gz CPSCBDSQGJOFPY-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609073610 1098130849 /nfs/dbraw/zinc/13/08/49/1098130849.db2.gz CPSCBDSQGJOFPY-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609082652 1098135424 /nfs/dbraw/zinc/13/54/24/1098135424.db2.gz UXDCIYGIKHNANA-UHFFFAOYSA-N -1 3 335.371 2.547 20 30 EFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609082652 1098135426 /nfs/dbraw/zinc/13/54/26/1098135426.db2.gz UXDCIYGIKHNANA-UHFFFAOYSA-N -1 3 335.371 2.547 20 30 EFEDHM CC(C)CN(Cc1ccc(C#N)cc1)c1ncccc1-c1nnn[n-]1 ZINC001609095699 1098142987 /nfs/dbraw/zinc/14/29/87/1098142987.db2.gz JLCJIKCKKDSIDL-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)CN(Cc1ccc(C#N)cc1)c1ncccc1-c1nn[n-]n1 ZINC001609095699 1098142992 /nfs/dbraw/zinc/14/29/92/1098142992.db2.gz JLCJIKCKKDSIDL-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC#N ZINC001609095237 1098143288 /nfs/dbraw/zinc/14/32/88/1098143288.db2.gz DRDPWZOTKGPEOW-UHFFFAOYSA-N -1 3 326.404 2.545 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC#N ZINC001609095237 1098143293 /nfs/dbraw/zinc/14/32/93/1098143293.db2.gz DRDPWZOTKGPEOW-UHFFFAOYSA-N -1 3 326.404 2.545 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cn1 ZINC001609095817 1098143335 /nfs/dbraw/zinc/14/33/35/1098143335.db2.gz RLSHDSKHZIOEJU-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cn1 ZINC001609095817 1098143338 /nfs/dbraw/zinc/14/33/38/1098143338.db2.gz RLSHDSKHZIOEJU-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(C#N)c1 ZINC001609102617 1098144681 /nfs/dbraw/zinc/14/46/81/1098144681.db2.gz IXGIMKRQCCBONZ-UHFFFAOYSA-N -1 3 348.366 2.778 20 30 EFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C#N)c1 ZINC001609102617 1098144683 /nfs/dbraw/zinc/14/46/83/1098144683.db2.gz IXGIMKRQCCBONZ-UHFFFAOYSA-N -1 3 348.366 2.778 20 30 EFEDHM C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609121053 1098154636 /nfs/dbraw/zinc/15/46/36/1098154636.db2.gz DKFGMPPCZYKXRA-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609121053 1098154638 /nfs/dbraw/zinc/15/46/38/1098154638.db2.gz DKFGMPPCZYKXRA-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001609126014 1098158221 /nfs/dbraw/zinc/15/82/21/1098158221.db2.gz AIPWFJMSWZMWSZ-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001609126014 1098158225 /nfs/dbraw/zinc/15/82/25/1098158225.db2.gz AIPWFJMSWZMWSZ-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H]1C[C@@H](c2cccnc2)N(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001609159622 1098174214 /nfs/dbraw/zinc/17/42/14/1098174214.db2.gz QNQOROIWYJOYMQ-LRDDRELGSA-N -1 3 331.383 2.721 20 30 EFEDHM C[C@H]1C[C@@H](c2cccnc2)N(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001609159622 1098174221 /nfs/dbraw/zinc/17/42/21/1098174221.db2.gz QNQOROIWYJOYMQ-LRDDRELGSA-N -1 3 331.383 2.721 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCCN(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC001269482590 1098174869 /nfs/dbraw/zinc/17/48/69/1098174869.db2.gz DJJOHXKDUPYCOO-FQEVSTJZSA-N -1 3 342.439 2.813 20 30 EFEDHM CC[C@@H](CC#N)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001609187738 1098187872 /nfs/dbraw/zinc/18/78/72/1098187872.db2.gz NWPPMBPUQDXGIG-QMMMGPOBSA-N -1 3 339.186 2.596 20 30 EFEDHM CC[C@@H](CC#N)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001609187738 1098187879 /nfs/dbraw/zinc/18/78/79/1098187879.db2.gz NWPPMBPUQDXGIG-QMMMGPOBSA-N -1 3 339.186 2.596 20 30 EFEDHM CC[C@H](CC#N)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001609187737 1098188705 /nfs/dbraw/zinc/18/87/05/1098188705.db2.gz NWPPMBPUQDXGIG-MRVPVSSYSA-N -1 3 339.186 2.596 20 30 EFEDHM CC[C@H](CC#N)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001609187737 1098188707 /nfs/dbraw/zinc/18/87/07/1098188707.db2.gz NWPPMBPUQDXGIG-MRVPVSSYSA-N -1 3 339.186 2.596 20 30 EFEDHM CCCC[C@@H](C)N(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609207318 1098202039 /nfs/dbraw/zinc/20/20/39/1098202039.db2.gz CDFLOHDZLJJPKA-CZUORRHYSA-N -1 3 340.431 2.586 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609214693 1098206671 /nfs/dbraw/zinc/20/66/71/1098206671.db2.gz YJDXKCVYMDNAIA-UHFFFAOYSA-N -1 3 346.394 2.791 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609214693 1098206678 /nfs/dbraw/zinc/20/66/78/1098206678.db2.gz YJDXKCVYMDNAIA-UHFFFAOYSA-N -1 3 346.394 2.791 20 30 EFEDHM CCOc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC001609245034 1098220230 /nfs/dbraw/zinc/22/02/30/1098220230.db2.gz XRBLJPGABFDONH-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001609252388 1098225894 /nfs/dbraw/zinc/22/58/94/1098225894.db2.gz VCLYEVYCWLJZKW-KRWDZBQOSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001609252388 1098225899 /nfs/dbraw/zinc/22/58/99/1098225899.db2.gz VCLYEVYCWLJZKW-KRWDZBQOSA-N -1 3 346.394 2.732 20 30 EFEDHM C=C[C@H](NCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC001609272588 1098233121 /nfs/dbraw/zinc/23/31/21/1098233121.db2.gz ULDBAWNJFKKGKS-VIFPVBQESA-N -1 3 336.132 2.779 20 30 EFEDHM CO[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C12CCC2 ZINC001609313655 1098244942 /nfs/dbraw/zinc/24/49/42/1098244942.db2.gz PCZPKPVGPSESOG-ZDUSSCGKSA-N -1 3 332.795 2.877 20 30 EFEDHM CO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCC2 ZINC001609313655 1098244947 /nfs/dbraw/zinc/24/49/47/1098244947.db2.gz PCZPKPVGPSESOG-ZDUSSCGKSA-N -1 3 332.795 2.877 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Cl)cc1C#N ZINC001609338181 1098252520 /nfs/dbraw/zinc/25/25/20/1098252520.db2.gz KDPYCAOHDVXQHF-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(Cl)cc1C#N ZINC001609338181 1098252525 /nfs/dbraw/zinc/25/25/25/1098252525.db2.gz KDPYCAOHDVXQHF-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C=C2CCOc3ccccc3C2=O)ccc1-c1nnn[n-]1 ZINC001609340297 1098254302 /nfs/dbraw/zinc/25/43/02/1098254302.db2.gz DXZWIMRDBGYRQZ-JLHYYAGUSA-N -1 3 348.362 2.924 20 30 EFEDHM COc1cc(C=C2CCOc3ccccc3C2=O)ccc1-c1nn[n-]n1 ZINC001609340297 1098254305 /nfs/dbraw/zinc/25/43/05/1098254305.db2.gz DXZWIMRDBGYRQZ-JLHYYAGUSA-N -1 3 348.362 2.924 20 30 EFEDHM COc1cc(CN=Nc2c(F)cccc2F)ccc1-c1nnn[n-]1 ZINC001609341505 1098254376 /nfs/dbraw/zinc/25/43/76/1098254376.db2.gz UUAJYCDTXBROEI-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1cc(CN=Nc2c(F)cccc2F)ccc1-c1nn[n-]n1 ZINC001609341505 1098254379 /nfs/dbraw/zinc/25/43/79/1098254379.db2.gz UUAJYCDTXBROEI-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1cc(C=CC(=O)c2cnn(C(C)C)c2)ccc1-c1nnn[n-]1 ZINC001609341534 1098254925 /nfs/dbraw/zinc/25/49/25/1098254925.db2.gz WJVGLVGUQJPGML-ALCCZGGFSA-N -1 3 338.371 2.549 20 30 EFEDHM COc1cc(C=CC(=O)c2cnn(C(C)C)c2)ccc1-c1nn[n-]n1 ZINC001609341534 1098254930 /nfs/dbraw/zinc/25/49/30/1098254930.db2.gz WJVGLVGUQJPGML-ALCCZGGFSA-N -1 3 338.371 2.549 20 30 EFEDHM COc1cc(CCNc2c(C#N)cccc2-c2nnn[n-]2)ccc1C ZINC001609341411 1098255361 /nfs/dbraw/zinc/25/53/61/1098255361.db2.gz PAURIRBLCUJTPY-UHFFFAOYSA-N -1 3 334.383 2.710 20 30 EFEDHM COc1cc(CCNc2c(C#N)cccc2-c2nn[n-]n2)ccc1C ZINC001609341411 1098255368 /nfs/dbraw/zinc/25/53/68/1098255368.db2.gz PAURIRBLCUJTPY-UHFFFAOYSA-N -1 3 334.383 2.710 20 30 EFEDHM COc1cc(C=C2COc3ccccc3C2=O)ccc1-c1nnn[n-]1 ZINC001609340675 1098255380 /nfs/dbraw/zinc/25/53/80/1098255380.db2.gz QYCOKNXAKLKJMG-WQLSENKSSA-N -1 3 334.335 2.534 20 30 EFEDHM COc1cc(C=C2COc3ccccc3C2=O)ccc1-c1nn[n-]n1 ZINC001609340675 1098255386 /nfs/dbraw/zinc/25/53/86/1098255386.db2.gz QYCOKNXAKLKJMG-WQLSENKSSA-N -1 3 334.335 2.534 20 30 EFEDHM COc1cc(Oc2nc(C)c(-c3nnn[n-]3)cc2Cl)ccc1C#N ZINC001609348309 1098257846 /nfs/dbraw/zinc/25/78/46/1098257846.db2.gz NWHIMSZDBTYEFM-UHFFFAOYSA-N -1 3 342.746 2.896 20 30 EFEDHM COc1cc(Oc2nc(C)c(-c3nn[n-]n3)cc2Cl)ccc1C#N ZINC001609348309 1098257854 /nfs/dbraw/zinc/25/78/54/1098257854.db2.gz NWHIMSZDBTYEFM-UHFFFAOYSA-N -1 3 342.746 2.896 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)cc1O ZINC001609351840 1098261533 /nfs/dbraw/zinc/26/15/33/1098261533.db2.gz AHYWSAGXHHQARD-QPJJXVBHSA-N -1 3 336.351 2.785 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)cc1O ZINC001609351840 1098261539 /nfs/dbraw/zinc/26/15/39/1098261539.db2.gz AHYWSAGXHHQARD-QPJJXVBHSA-N -1 3 336.351 2.785 20 30 EFEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1C ZINC001609353657 1098261701 /nfs/dbraw/zinc/26/17/01/1098261701.db2.gz LYSDKYYILYUGBB-ZSOIEALJSA-N -1 3 347.378 2.791 20 30 EFEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1C ZINC001609353657 1098261705 /nfs/dbraw/zinc/26/17/05/1098261705.db2.gz LYSDKYYILYUGBB-ZSOIEALJSA-N -1 3 347.378 2.791 20 30 EFEDHM COc1ccc(CCCN(C)c2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001609354621 1098262312 /nfs/dbraw/zinc/26/23/12/1098262312.db2.gz VAQZFXBPSJMPIR-UHFFFAOYSA-N -1 3 348.410 2.816 20 30 EFEDHM COc1ccc(CCCN(C)c2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001609354621 1098262318 /nfs/dbraw/zinc/26/23/18/1098262318.db2.gz VAQZFXBPSJMPIR-UHFFFAOYSA-N -1 3 348.410 2.816 20 30 EFEDHM COc1cccc(O)c1C=NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609362221 1098267231 /nfs/dbraw/zinc/26/72/31/1098267231.db2.gz ACMJTOZRAZYJBJ-GIJQJNRQSA-N -1 3 343.774 2.853 20 30 EFEDHM COc1cccc(O)c1C=NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609362221 1098267232 /nfs/dbraw/zinc/26/72/32/1098267232.db2.gz ACMJTOZRAZYJBJ-GIJQJNRQSA-N -1 3 343.774 2.853 20 30 EFEDHM COc1ccccc1CON=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001609363917 1098267241 /nfs/dbraw/zinc/26/72/41/1098267241.db2.gz GJMYQHMTCHJJIZ-UHFFFAOYSA-N -1 3 335.367 2.742 20 30 EFEDHM COc1ccccc1CON=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609363917 1098267244 /nfs/dbraw/zinc/26/72/44/1098267244.db2.gz GJMYQHMTCHJJIZ-UHFFFAOYSA-N -1 3 335.367 2.742 20 30 EFEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)N[C@@H](C#N)C(C)C ZINC001609380559 1098276276 /nfs/dbraw/zinc/27/62/76/1098276276.db2.gz DGJOBFPVDMULBX-LBPRGKRZSA-N -1 3 340.412 2.668 20 30 EFEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)N[C@@H](C#N)C(C)C ZINC001609380559 1098276283 /nfs/dbraw/zinc/27/62/83/1098276283.db2.gz DGJOBFPVDMULBX-LBPRGKRZSA-N -1 3 340.412 2.668 20 30 EFEDHM Cc1cc(COC(=O)c2cccc(C#N)c2C)ccc1-c1nnn[n-]1 ZINC001609402467 1098291308 /nfs/dbraw/zinc/29/13/08/1098291308.db2.gz GBEOMMJFWLKPHM-UHFFFAOYSA-N -1 3 333.351 2.712 20 30 EFEDHM Cc1cc(COC(=O)c2cccc(C#N)c2C)ccc1-c1nn[n-]n1 ZINC001609402467 1098291311 /nfs/dbraw/zinc/29/13/11/1098291311.db2.gz GBEOMMJFWLKPHM-UHFFFAOYSA-N -1 3 333.351 2.712 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccccc1C#N ZINC001609415617 1098299789 /nfs/dbraw/zinc/29/97/89/1098299789.db2.gz BSHQTPBCAPONOS-CMDGGOBGSA-N -1 3 330.351 2.699 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccccc1C#N ZINC001609415617 1098299795 /nfs/dbraw/zinc/29/97/95/1098299795.db2.gz BSHQTPBCAPONOS-CMDGGOBGSA-N -1 3 330.351 2.699 20 30 EFEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)cc1 ZINC001609460450 1098336970 /nfs/dbraw/zinc/33/69/70/1098336970.db2.gz WDHKKAXVRAQZLU-SFHVURJKSA-N -1 3 343.379 2.881 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cc3ccccc3[nH]2)n1 ZINC001609471929 1098343100 /nfs/dbraw/zinc/34/31/00/1098343100.db2.gz CGVMWGIAJVHGER-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cc3ccccc3[nH]2)n1 ZINC001609471929 1098343106 /nfs/dbraw/zinc/34/31/06/1098343106.db2.gz CGVMWGIAJVHGER-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM N#Cc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c(F)c1 ZINC001609498814 1098362916 /nfs/dbraw/zinc/36/29/16/1098362916.db2.gz PQNZRYFDEDFINI-VGOFMYFVSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c(F)c1 ZINC001609498814 1098362923 /nfs/dbraw/zinc/36/29/23/1098362923.db2.gz PQNZRYFDEDFINI-VGOFMYFVSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001609499494 1098363579 /nfs/dbraw/zinc/36/35/79/1098363579.db2.gz UBDWCPDXIZILAL-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Sc1ccc2c(c1)OCCO2 ZINC001609499931 1098364121 /nfs/dbraw/zinc/36/41/21/1098364121.db2.gz QASZVLJHHRXGLU-UHFFFAOYSA-N -1 3 337.364 2.661 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Sc1ccc2c(c1)OCCO2 ZINC001609499931 1098364128 /nfs/dbraw/zinc/36/41/28/1098364128.db2.gz QASZVLJHHRXGLU-UHFFFAOYSA-N -1 3 337.364 2.661 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609517637 1098366586 /nfs/dbraw/zinc/36/65/86/1098366586.db2.gz HDUQZSKIEITJIN-CMDGGOBGSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609517637 1098366591 /nfs/dbraw/zinc/36/65/91/1098366591.db2.gz HDUQZSKIEITJIN-CMDGGOBGSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609519586 1098367283 /nfs/dbraw/zinc/36/72/83/1098367283.db2.gz BANJPASJYZREEP-LZCJLJQNSA-N -1 3 327.325 2.733 20 30 EFEDHM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609519586 1098367289 /nfs/dbraw/zinc/36/72/89/1098367289.db2.gz BANJPASJYZREEP-LZCJLJQNSA-N -1 3 327.325 2.733 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=C1COc2ccc(F)cc21 ZINC001609585888 1098392503 /nfs/dbraw/zinc/39/25/03/1098392503.db2.gz JCTCVLVPACQOME-CCEZHUSRSA-N -1 3 334.310 2.591 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=C1COc2ccc(F)cc21 ZINC001609585888 1098392506 /nfs/dbraw/zinc/39/25/06/1098392506.db2.gz JCTCVLVPACQOME-CCEZHUSRSA-N -1 3 334.310 2.591 20 30 EFEDHM O=C1C(=Cc2ccc3c(c2)CCO3)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001609585742 1098393184 /nfs/dbraw/zinc/39/31/84/1098393184.db2.gz CUJKTBZCGXBKMN-NVNXTCNLSA-N -1 3 330.347 2.624 20 30 EFEDHM O=C1C(=Cc2ccc3c(c2)CCO3)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001609585742 1098393188 /nfs/dbraw/zinc/39/31/88/1098393188.db2.gz CUJKTBZCGXBKMN-NVNXTCNLSA-N -1 3 330.347 2.624 20 30 EFEDHM O=[N+]([O-])c1ccc(C=NOCc2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC001609601361 1098396301 /nfs/dbraw/zinc/39/63/01/1098396301.db2.gz JTARBCIYSXUCNZ-UHFFFAOYSA-N -1 3 348.706 2.572 20 30 EFEDHM O=[N+]([O-])c1ccc(C=NOCc2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC001609601361 1098396305 /nfs/dbraw/zinc/39/63/05/1098396305.db2.gz JTARBCIYSXUCNZ-UHFFFAOYSA-N -1 3 348.706 2.572 20 30 EFEDHM c1ccc([C@@H]2CCCC2=NNCc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001609616353 1098403042 /nfs/dbraw/zinc/40/30/42/1098403042.db2.gz FRVWWZNHDUMOCV-HNNXBMFYSA-N -1 3 333.399 2.675 20 30 EFEDHM c1ccc([C@@H]2CCCC2=NNCc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001609616353 1098403044 /nfs/dbraw/zinc/40/30/44/1098403044.db2.gz FRVWWZNHDUMOCV-HNNXBMFYSA-N -1 3 333.399 2.675 20 30 EFEDHM c1ccc2c(c1)nncc2NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609618136 1098405650 /nfs/dbraw/zinc/40/56/50/1098405650.db2.gz SXEUVLDPVDZCAD-UHFFFAOYSA-N -1 3 342.366 2.572 20 30 EFEDHM CN(C)[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccc(F)cc1 ZINC001610098361 1098547015 /nfs/dbraw/zinc/54/70/15/1098547015.db2.gz YJPGDOMQVDHYEW-INIZCTEOSA-N -1 3 328.347 2.505 20 30 EFEDHM CN(C1CCCC1)C(C)(C)C(=O)OCc1cccc(C(=O)[O-])c1C#N ZINC001610107509 1098549726 /nfs/dbraw/zinc/54/97/26/1098549726.db2.gz ZLPVKUHIVPRBNU-UHFFFAOYSA-N -1 3 344.411 2.953 20 30 EFEDHM COc1cc(CN2CCC(C#N)(C(=O)[O-])CC2)c(O)c(C(C)(C)C)c1 ZINC001610295883 1098607410 /nfs/dbraw/zinc/60/74/10/1098607410.db2.gz MPYJOZZFBQAYKT-UHFFFAOYSA-N -1 3 346.427 2.889 20 30 EFEDHM Cc1nsc(N[C@H](CNC(=O)c2ccccc2[O-])C(C)C)c1C#N ZINC001105133502 1099779113 /nfs/dbraw/zinc/77/91/13/1099779113.db2.gz FDMWBPADRHFYLO-CQSZACIVSA-N -1 3 344.440 2.895 20 30 EFEDHM CC(C)[C@@H](CNC(=O)c1ccccc1[O-])Nc1ncc(C#N)cc1F ZINC001105134592 1099788925 /nfs/dbraw/zinc/78/89/25/1099788925.db2.gz ZWNGNZGCVWEUNB-OAHLLOKOSA-N -1 3 342.374 2.664 20 30 EFEDHM C=C(Cl)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001628362245 1100092253 /nfs/dbraw/zinc/09/22/53/1100092253.db2.gz PNHZXVMWALQAOO-UHFFFAOYSA-N -1 3 341.592 2.773 20 30 EFEDHM C=CCN1c2ccccc2[C@@]2(CCN(C(=O)c3ccc([O-])cc3)C2)C1=O ZINC001270961033 1100314439 /nfs/dbraw/zinc/31/44/39/1100314439.db2.gz XLHHXPKHGBONEH-NRFANRHFSA-N -1 3 348.402 2.709 20 30 EFEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001642177314 1101195510 /nfs/dbraw/zinc/19/55/10/1101195510.db2.gz YBYVCAUVOCQEME-MRXNPFEDSA-N -1 3 346.394 2.502 20 30 EFEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001642177314 1101195511 /nfs/dbraw/zinc/19/55/11/1101195511.db2.gz YBYVCAUVOCQEME-MRXNPFEDSA-N -1 3 346.394 2.502 20 30 EFEDHM C=CCN1c2ccccc2[C@]2(CCN(C(=O)c3ccccc3[O-])C2)C1=O ZINC001271421045 1101571720 /nfs/dbraw/zinc/57/17/20/1101571720.db2.gz DYXZHVQYFQONTI-OAQYLSRUSA-N -1 3 348.402 2.709 20 30 EFEDHM N#Cc1cccc(-c2nc([N-]C(=O)c3coc4c3C(=O)CCC4)n[nH]2)c1 ZINC001654861673 1101764173 /nfs/dbraw/zinc/76/41/73/1101764173.db2.gz DWXFLCUWSCYRMF-UHFFFAOYSA-N -1 3 347.334 2.708 20 30 EFEDHM Cn1ncc2c1nc(SCc1ccc(C#N)cc1Cl)[n-]c2=O ZINC001656732542 1102184617 /nfs/dbraw/zinc/18/46/17/1102184617.db2.gz LADHHHYWCYXPIG-UHFFFAOYSA-N -1 3 331.788 2.886 20 30 EFEDHM CCOC(Cc1c(=O)[n-]cnc1NC1=CC(=O)CC(C)(C)C1)OCC ZINC001210149941 1102313509 /nfs/dbraw/zinc/31/35/09/1102313509.db2.gz QSQQNPLIECDVRX-UHFFFAOYSA-N -1 3 349.431 2.809 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)CCC)ccc1F ZINC000748120714 1102415420 /nfs/dbraw/zinc/41/54/20/1102415420.db2.gz WCJWYOIRYHOUIK-NSHDSACASA-N -1 3 329.393 2.635 20 30 EFEDHM N#Cc1ccc(CN(C(=O)c2cc3c(cc2[O-])OCO3)C2CC2)cc1 ZINC000436759483 1103032274 /nfs/dbraw/zinc/03/22/74/1103032274.db2.gz YISPIYFTUCIEDW-UHFFFAOYSA-N -1 3 336.347 2.797 20 30 EFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1Cc1ccccc1C#N ZINC001088471500 1103830482 /nfs/dbraw/zinc/83/04/82/1103830482.db2.gz PJZMKMMHTIXDOU-KDOFPFPSSA-N -1 3 335.407 2.657 20 30 EFEDHM C#CCSCCNC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906771554 1104490306 /nfs/dbraw/zinc/49/03/06/1104490306.db2.gz VUOVXSXDTZSZRQ-UHFFFAOYSA-N -1 3 341.458 2.586 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCN(C(=O)c3cc(CC)ccc3[O-])C2)C1=O ZINC001272210180 1107315964 /nfs/dbraw/zinc/31/59/64/1107315964.db2.gz CHRXSTFENHTEKT-HXUWFJFHSA-N -1 3 342.439 2.595 20 30 EFEDHM O=C(N([O-])CCCN1C(=O)c2ccccc2C1=O)C1(F)CCCCC1 ZINC000904186361 1107679394 /nfs/dbraw/zinc/67/93/94/1107679394.db2.gz XHUBAIHSBYDPJL-UHFFFAOYSA-N -1 3 348.374 2.563 20 30 EFEDHM CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904175602 1107692768 /nfs/dbraw/zinc/69/27/68/1107692768.db2.gz VAYHFLVKUJBHGH-AWEZNQCLSA-N -1 3 339.411 2.666 20 30 EFEDHM CC1(c2ncc(C(=O)N([O-])Cc3ccc(F)cc3)s2)OCCO1 ZINC000904177317 1107693663 /nfs/dbraw/zinc/69/36/63/1107693663.db2.gz AWBZRDQJKDYFAR-UHFFFAOYSA-N -1 3 338.360 2.533 20 30 EFEDHM O=C(CCS(=O)(=O)C1CCCC1)N([O-])Cc1ccccc1Cl ZINC000904189034 1107700582 /nfs/dbraw/zinc/70/05/82/1107700582.db2.gz XLQRQGPFAWFGHD-UHFFFAOYSA-N -1 3 345.848 2.805 20 30 EFEDHM O=C(CCCCN1CCOCC1)N([O-])Cc1ccccc1Cl ZINC000904190451 1107703764 /nfs/dbraw/zinc/70/37/64/1107703764.db2.gz MJXDGIVILDFYCO-UHFFFAOYSA-N -1 3 326.824 2.560 20 30 EFEDHM CCCCN([O-])C(=O)[C@@H]1CCc2nnc(-c3cccc(C)c3)n2C1 ZINC000904215016 1107720160 /nfs/dbraw/zinc/72/01/60/1107720160.db2.gz WXPQASOFBNLQHO-OAHLLOKOSA-N -1 3 328.416 2.834 20 30 EFEDHM CCCCN([O-])C(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000904211763 1107735644 /nfs/dbraw/zinc/73/56/44/1107735644.db2.gz DGPXWRCDSBOUPR-CYBMUJFWSA-N -1 3 334.445 2.986 20 30 EFEDHM CCCCN([O-])C(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 ZINC000904214595 1107739233 /nfs/dbraw/zinc/73/92/33/1107739233.db2.gz FIJILDXOYHTKHI-UHFFFAOYSA-N -1 3 340.424 2.983 20 30 EFEDHM O=C(Nc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1)[C@H]1CCCO1 ZINC000914599652 1111283739 /nfs/dbraw/zinc/28/37/39/1111283739.db2.gz KBSKPIFWGHEEJG-OAHLLOKOSA-N -1 3 342.351 2.672 20 30 EFEDHM C=C(Cl)COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000914681681 1111323847 /nfs/dbraw/zinc/32/38/47/1111323847.db2.gz PAWDRVKJGUBXGK-UHFFFAOYSA-N -1 3 349.811 2.812 20 30 EFEDHM N#Cc1cnc(NC/C=C\CNC(=O)c2ccccc2[O-])c(Cl)c1 ZINC001107047520 1120097314 /nfs/dbraw/zinc/09/73/14/1120097314.db2.gz URAPKVNMDHKWRZ-ARJAWSKDSA-N -1 3 342.786 2.710 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc(NC(=O)C2CC2)c1 ZINC000053524383 214187578 /nfs/dbraw/zinc/18/75/78/214187578.db2.gz UZAOXRJVTNSEEE-UHFFFAOYSA-N -1 3 348.366 2.852 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(NC(=O)C2CC2)c1 ZINC000053524383 214187581 /nfs/dbraw/zinc/18/75/81/214187581.db2.gz UZAOXRJVTNSEEE-UHFFFAOYSA-N -1 3 348.366 2.852 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc(NC(=O)C2CC2)c1 ZINC000053524383 214187583 /nfs/dbraw/zinc/18/75/83/214187583.db2.gz UZAOXRJVTNSEEE-UHFFFAOYSA-N -1 3 348.366 2.852 20 30 EFEDHM CSc1nn(-c2ccccc2)c([N-]C(=O)c2cocn2)c1C#N ZINC000125799433 222611273 /nfs/dbraw/zinc/61/12/73/222611273.db2.gz JBOTVQVYDWZOSV-UHFFFAOYSA-N -1 3 325.353 2.706 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000055480870 214325655 /nfs/dbraw/zinc/32/56/55/214325655.db2.gz BMAVVHRQSKDEBC-SWLSCSKDSA-N -1 3 329.444 2.739 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000186425043 529448293 /nfs/dbraw/zinc/44/82/93/529448293.db2.gz DONFUMWUQMIMES-VIFPVBQESA-N -1 3 335.198 2.559 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CCc2ccccc21 ZINC000072245329 216082040 /nfs/dbraw/zinc/08/20/40/216082040.db2.gz GMZDGFWTOKCKMG-LJQANCHMSA-N -1 3 349.434 2.942 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCc2ccccc21 ZINC000072245330 216082679 /nfs/dbraw/zinc/08/26/79/216082679.db2.gz GMZDGFWTOKCKMG-IBGZPJMESA-N -1 3 349.434 2.942 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCc2occc21 ZINC000072273594 216097123 /nfs/dbraw/zinc/09/71/23/216097123.db2.gz YGYLRPWVNVNCOY-MRXNPFEDSA-N -1 3 339.395 2.583 20 30 EFEDHM N#CC(=C([O-])c1ccc(Cl)c(N2CCNC2=O)c1)c1ccccn1 ZINC000076090017 238825168 /nfs/dbraw/zinc/82/51/68/238825168.db2.gz UGCYIEHDAVNZSD-LBPRGKRZSA-N -1 3 340.770 2.755 20 30 EFEDHM Cc1ccc(C(=O)NCCC(=O)N(CCC#N)CCC(C)C)c([O-])c1 ZINC000176321940 239312122 /nfs/dbraw/zinc/31/21/22/239312122.db2.gz XDIHNPZOEBYHDR-UHFFFAOYSA-N -1 3 345.443 2.609 20 30 EFEDHM CCc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c([O-])c1 ZINC000191661882 240000272 /nfs/dbraw/zinc/00/02/72/240000272.db2.gz PDZMYLFOSBRRFO-GOSISDBHSA-N -1 3 349.434 2.805 20 30 EFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192201318 240032540 /nfs/dbraw/zinc/03/25/40/240032540.db2.gz XUGUJAABUJOPFZ-SSDOTTSWSA-N -1 3 337.626 2.683 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[C@H]1C ZINC000193944835 240131795 /nfs/dbraw/zinc/13/17/95/240131795.db2.gz GJGZKESPXWLZNW-IUODEOHRSA-N -1 3 329.444 2.739 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000194059314 240136510 /nfs/dbraw/zinc/13/65/10/240136510.db2.gz JAYCJRZIRFLDLW-LSDHHAIUSA-N -1 3 334.347 2.671 20 30 EFEDHM N#CCCCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230608937 240235087 /nfs/dbraw/zinc/23/50/87/240235087.db2.gz OOZNWJVVMYWNHI-UHFFFAOYSA-N -1 3 335.198 2.560 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(OCC(F)F)c2)c1[O-] ZINC000263714537 240387299 /nfs/dbraw/zinc/38/72/99/240387299.db2.gz XCOCOHCYXAFYGE-DNTJNYDQSA-N -1 3 336.338 2.851 20 30 EFEDHM COc1cncc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)n1 ZINC000277278525 240777586 /nfs/dbraw/zinc/77/75/86/240777586.db2.gz PJLPATBAILEIJT-NSHDSACASA-N -1 3 328.397 2.989 20 30 EFEDHM N#C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)CCN1Cc1ccccc1 ZINC000280921827 240896737 /nfs/dbraw/zinc/89/67/37/240896737.db2.gz GIFVNJWQEXRLGD-OAHLLOKOSA-N -1 3 343.377 2.880 20 30 EFEDHM C[C@H]([N-]C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000288317928 241007592 /nfs/dbraw/zinc/00/75/92/241007592.db2.gz GUKUDQXISVKXFZ-YFKPBYRVSA-N -1 3 346.202 2.850 20 30 EFEDHM Cc1ccc(NC(=O)C2CC2)cc1/N=C/c1c([O-])c(C)ncc1CO ZINC000298682632 241156643 /nfs/dbraw/zinc/15/66/43/241156643.db2.gz WQXXTGHLSWUFGO-ZVBGSRNCSA-N -1 3 339.395 2.995 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000301997808 241191539 /nfs/dbraw/zinc/19/15/39/241191539.db2.gz PFBCDBSYNBTHHJ-OAHLLOKOSA-N -1 3 343.818 2.784 20 30 EFEDHM C[C@@]1(c2ccc(CNC(=O)C3CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000328707008 241224910 /nfs/dbraw/zinc/22/49/10/241224910.db2.gz ZHCLYLSCAMSNHM-KRWDZBQOSA-N -1 3 331.372 2.669 20 30 EFEDHM COc1ccc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)c([O-])c1 ZINC000331282675 241620015 /nfs/dbraw/zinc/62/00/15/241620015.db2.gz VSFFBRAFUJFYKJ-ZDUSSCGKSA-N -1 3 349.431 2.621 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(C#N)CC(C)C ZINC000355726285 242045168 /nfs/dbraw/zinc/04/51/68/242045168.db2.gz IECLKLFEFGQPSV-GOSISDBHSA-N -1 3 328.416 2.653 20 30 EFEDHM C=CCCO[C@@H](C)c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000355779416 242047821 /nfs/dbraw/zinc/04/78/21/242047821.db2.gz YBQUDOUHQWZHSB-NSHDSACASA-N -1 3 337.401 2.762 20 30 EFEDHM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000356026050 242057484 /nfs/dbraw/zinc/05/74/84/242057484.db2.gz YASXZBSXSLQSOM-MRXNPFEDSA-N -1 3 336.395 2.723 20 30 EFEDHM N#CC[C@@H](CC(=O)Nc1nnc(-c2ccccn2)[n-]1)c1ccccc1 ZINC000355038297 242017867 /nfs/dbraw/zinc/01/78/67/242017867.db2.gz KYJSMBZJHDKHLP-AWEZNQCLSA-N -1 3 332.367 2.893 20 30 EFEDHM N#CC[C@@H](CC(=O)Nc1nc(-c2ccccn2)n[n-]1)c1ccccc1 ZINC000355038297 242017871 /nfs/dbraw/zinc/01/78/71/242017871.db2.gz KYJSMBZJHDKHLP-AWEZNQCLSA-N -1 3 332.367 2.893 20 30 EFEDHM N#CC[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000355038297 242017875 /nfs/dbraw/zinc/01/78/75/242017875.db2.gz KYJSMBZJHDKHLP-AWEZNQCLSA-N -1 3 332.367 2.893 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c[nH]nc1-c1ccccn1 ZINC000355120875 242021813 /nfs/dbraw/zinc/02/18/13/242021813.db2.gz URQIATWCGGNXJU-GFCCVEGCSA-N -1 3 342.362 2.848 20 30 EFEDHM Cc1cc(F)cc2c(=O)c(C(=O)NCC#Cc3ccccc3)c[n-]c12 ZINC000359350000 242149100 /nfs/dbraw/zinc/14/91/00/242149100.db2.gz XFKZEGVDAUGLSR-UHFFFAOYSA-N -1 3 334.350 2.757 20 30 EFEDHM N#CC(=C([O-])c1ccc(C(N)=O)cc1)c1cc(C(F)(F)F)ccn1 ZINC000362189454 242246971 /nfs/dbraw/zinc/24/69/71/242246971.db2.gz OXIJOULCNPZKPD-GFCCVEGCSA-N -1 3 333.269 2.689 20 30 EFEDHM N#CCCCOc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000362333794 242249478 /nfs/dbraw/zinc/24/94/78/242249478.db2.gz MPPRMXAGTFLOHB-UHFFFAOYSA-N -1 3 342.311 2.630 20 30 EFEDHM N#CC1(c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000367684072 242387638 /nfs/dbraw/zinc/38/76/38/242387638.db2.gz MQVUOIJBZHEFRQ-UHFFFAOYSA-N -1 3 330.351 2.674 20 30 EFEDHM N#CC1(c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000367684072 242387642 /nfs/dbraw/zinc/38/76/42/242387642.db2.gz MQVUOIJBZHEFRQ-UHFFFAOYSA-N -1 3 330.351 2.674 20 30 EFEDHM N#CC[C@@H]1CC[C@H](NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC000412380334 243297107 /nfs/dbraw/zinc/29/71/07/243297107.db2.gz IHJJGQUPCLNJAP-QWRGUYRKSA-N -1 3 329.787 2.994 20 30 EFEDHM N#CC1(F)CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC000412339779 243276980 /nfs/dbraw/zinc/27/69/80/243276980.db2.gz VLBSAHDPJCQYON-UHFFFAOYSA-N -1 3 333.750 2.649 20 30 EFEDHM Cc1cc(F)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000020007757 212093390 /nfs/dbraw/zinc/09/33/90/212093390.db2.gz OAHVUFGLGUGFPA-UHFFFAOYSA-N -1 3 327.359 2.882 20 30 EFEDHM COc1ccsc1S(=O)(=O)[N-][C@@H]1CCCc2cc(C#N)ccc21 ZINC000416663619 244775634 /nfs/dbraw/zinc/77/56/34/244775634.db2.gz QVBGNZIJDBAHQE-CQSZACIVSA-N -1 3 348.449 2.984 20 30 EFEDHM C[C@H](c1ccc(C#N)cc1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000081019335 217352079 /nfs/dbraw/zinc/35/20/79/217352079.db2.gz FQWDQMFVGKGLPQ-OAHLLOKOSA-N -1 3 335.407 2.783 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCc1cccs1 ZINC000081297152 217379582 /nfs/dbraw/zinc/37/95/82/217379582.db2.gz NETQETYPNOYKSG-UHFFFAOYSA-N -1 3 343.452 2.559 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000425662101 247159881 /nfs/dbraw/zinc/15/98/81/247159881.db2.gz HZOYIBDZZIMHSQ-JTQLQIEISA-N -1 3 349.341 2.540 20 30 EFEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)s1)c1nccs1 ZINC000435428976 248239284 /nfs/dbraw/zinc/23/92/84/248239284.db2.gz UFCAEXNKGZSAQF-LBPRGKRZSA-N -1 3 327.456 2.680 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)s1 ZINC000435428648 248239337 /nfs/dbraw/zinc/23/93/37/248239337.db2.gz SELAPCSOUUFDOC-ZDUSSCGKSA-N -1 3 334.422 2.681 20 30 EFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(C)o1 ZINC000435434282 248239919 /nfs/dbraw/zinc/23/99/19/248239919.db2.gz ROWNUOFTWFCCFR-GFCCVEGCSA-N -1 3 340.426 2.577 20 30 EFEDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H](C)[C@@H]1OC ZINC000435431198 248240229 /nfs/dbraw/zinc/24/02/29/248240229.db2.gz CBUOFXDKSCZSKV-GDLCADMTSA-N -1 3 342.486 2.738 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)s1 ZINC000435434074 248240444 /nfs/dbraw/zinc/24/04/44/248240444.db2.gz WECFQMGBJRZIQK-UHFFFAOYSA-N -1 3 348.449 2.887 20 30 EFEDHM C=C(C)CS(=O)(=O)[N-][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000435429488 248240813 /nfs/dbraw/zinc/24/08/13/248240813.db2.gz XCWZYVOPLFXXQY-KRWDZBQOSA-N -1 3 344.436 2.862 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)s1 ZINC000435438068 248242084 /nfs/dbraw/zinc/24/20/84/248242084.db2.gz NNZINPYXSYRYBP-SKDRFNHKSA-N -1 3 340.376 2.732 20 30 EFEDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1cccnc1 ZINC000435444404 248242493 /nfs/dbraw/zinc/24/24/93/248242493.db2.gz WYWGJNWONYMLNN-AWEZNQCLSA-N -1 3 335.454 2.733 20 30 EFEDHM COc1cccc(CCC[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435445731 248243305 /nfs/dbraw/zinc/24/33/05/248243305.db2.gz GWTNRJCCYYKKGQ-UHFFFAOYSA-N -1 3 336.438 2.539 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC1=CCCCC1 ZINC000012884623 211475074 /nfs/dbraw/zinc/47/50/74/211475074.db2.gz GLLFMCIRWNLLDC-UHFFFAOYSA-N -1 3 327.428 2.803 20 30 EFEDHM CCc1nc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccccc1F ZINC000442643218 250094736 /nfs/dbraw/zinc/09/47/36/250094736.db2.gz GLCDWNJQOYUXLP-GFCCVEGCSA-N -1 3 335.342 2.854 20 30 EFEDHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1(C)C ZINC000443339017 250186441 /nfs/dbraw/zinc/18/64/41/250186441.db2.gz YTSWPGJKUSMIKC-UKRRQHHQSA-N -1 3 342.848 2.694 20 30 EFEDHM Cc1nc(-c2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc2)cc(=O)[n-]1 ZINC000444389290 250297602 /nfs/dbraw/zinc/29/76/02/250297602.db2.gz IKHNSJCLIDMLNI-NSHDSACASA-N -1 3 325.372 2.924 20 30 EFEDHM Cc1ccccc1[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000009314060 211064983 /nfs/dbraw/zinc/06/49/83/211064983.db2.gz XLMYYVJCSIZMMK-AWEZNQCLSA-N -1 3 337.423 2.982 20 30 EFEDHM C=CCC1(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCCC1 ZINC000449642196 251089788 /nfs/dbraw/zinc/08/97/88/251089788.db2.gz WPBKPYZXDMBVLO-GOSISDBHSA-N -1 3 341.411 2.816 20 30 EFEDHM O=c1[n-]c(=O)n(CC#Cc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000433377313 285226488 /nfs/dbraw/zinc/22/64/88/285226488.db2.gz QENSLYUPRAHFKK-UHFFFAOYSA-N -1 3 344.676 2.553 20 30 EFEDHM CS[C@H]1CCC[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000117222243 221037350 /nfs/dbraw/zinc/03/73/50/221037350.db2.gz GJRKPVXPLMUXHZ-KBPBESRZSA-N -1 3 347.484 2.586 20 30 EFEDHM N#Cc1ccccc1N1CCCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263458015 141395896 /nfs/dbraw/zinc/39/58/96/141395896.db2.gz HYQQMVRZRRVXFS-UHFFFAOYSA-N -1 3 335.407 2.969 20 30 EFEDHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000344553934 142039323 /nfs/dbraw/zinc/03/93/23/142039323.db2.gz HBUDWLOOWJZQAT-SECBINFHSA-N -1 3 343.246 2.645 20 30 EFEDHM COCCCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000344755247 142073583 /nfs/dbraw/zinc/07/35/83/142073583.db2.gz REPIQJNMYZTUJM-MRXNPFEDSA-N -1 3 348.424 2.988 20 30 EFEDHM N#Cc1cc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)ccc1Cl ZINC000344957950 142103353 /nfs/dbraw/zinc/10/33/53/142103353.db2.gz TUDZYUHLKWKZFG-UHFFFAOYSA-N -1 3 338.738 2.831 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)cc1Cl ZINC000344960818 142103714 /nfs/dbraw/zinc/10/37/14/142103714.db2.gz ZRYRLGYXESYOBF-UHFFFAOYSA-N -1 3 338.738 2.831 20 30 EFEDHM Cc1sc([N-]C(=O)c2csc(S(C)(=O)=O)c2)c(C#N)c1C ZINC000346364551 142195144 /nfs/dbraw/zinc/19/51/44/142195144.db2.gz BSFUKGCJRSOLND-UHFFFAOYSA-N -1 3 340.451 2.954 20 30 EFEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(C#N)o3)o2)cs1 ZINC000344221386 145395657 /nfs/dbraw/zinc/39/56/57/145395657.db2.gz LSOHQLUFXDBWOV-UHFFFAOYSA-N -1 3 349.393 2.655 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1OC(F)F ZINC000344221028 145395836 /nfs/dbraw/zinc/39/58/36/145395836.db2.gz PWELLHHNUVVUQA-SECBINFHSA-N -1 3 342.323 2.792 20 30 EFEDHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000350972726 146104264 /nfs/dbraw/zinc/10/42/64/146104264.db2.gz SWJWCOZQKCAQOT-UHFFFAOYSA-N -1 3 349.387 2.560 20 30 EFEDHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355636175 147018941 /nfs/dbraw/zinc/01/89/41/147018941.db2.gz RBQFGUQTNZOTCC-NSHDSACASA-N -1 3 335.816 2.516 20 30 EFEDHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(C)C ZINC000355717421 147043586 /nfs/dbraw/zinc/04/35/86/147043586.db2.gz TXOKBYKOBXOTGP-OWYVNGRQSA-N -1 3 342.848 2.549 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)c1 ZINC000355822501 147075305 /nfs/dbraw/zinc/07/53/05/147075305.db2.gz BLVFJFIDGDPPAF-AWEZNQCLSA-N -1 3 348.811 2.883 20 30 EFEDHM Cn1ncc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1C#N ZINC000356444395 147246071 /nfs/dbraw/zinc/24/60/71/147246071.db2.gz HMWNRIREHIPRNK-UHFFFAOYSA-N -1 3 344.787 2.716 20 30 EFEDHM N#Cc1cc([N+](=O)[O-])cnc1Sc1n[n-]c(-c2ccccc2F)n1 ZINC000356731194 147321894 /nfs/dbraw/zinc/32/18/94/147321894.db2.gz UZLGFRITZMOXPK-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM COc1ccc([N-]C(=O)c2ncc(C#N)cc2Cl)c([N+](=O)[O-])c1 ZINC000359713391 148169236 /nfs/dbraw/zinc/16/92/36/148169236.db2.gz INZUQQLMWUUDMV-UHFFFAOYSA-N -1 3 332.703 2.776 20 30 EFEDHM Cc1nc(NCCCNC(=O)c2cccc([O-])c2)c(Cl)cc1C#N ZINC000359905606 148220049 /nfs/dbraw/zinc/22/00/49/148220049.db2.gz UTRCQUORNAIIOG-UHFFFAOYSA-N -1 3 344.802 2.853 20 30 EFEDHM CC(C)(C)c1cc([N-]C(=O)c2cn([C@H]3CCOC3)nn2)c(C#N)s1 ZINC000362535947 148839627 /nfs/dbraw/zinc/83/96/27/148839627.db2.gz VPUHVCXNHOJBEG-JTQLQIEISA-N -1 3 345.428 2.722 20 30 EFEDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000376327180 151695755 /nfs/dbraw/zinc/69/57/55/151695755.db2.gz HEVLRGPQEXMZJU-CLAHSXSESA-N -1 3 338.385 2.559 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2ccco2)C1 ZINC000377611122 151905125 /nfs/dbraw/zinc/90/51/25/151905125.db2.gz HWFHAOPYIVCCNR-AWEZNQCLSA-N -1 3 339.395 2.817 20 30 EFEDHM Cc1cc(F)ccc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000165223182 226116429 /nfs/dbraw/zinc/11/64/29/226116429.db2.gz IMTGCWGWZXYGTI-UHFFFAOYSA-N -1 3 328.343 2.849 20 30 EFEDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000122317992 222061339 /nfs/dbraw/zinc/06/13/39/222061339.db2.gz ZTTVTVSBVKCRPS-SNVBAGLBSA-N -1 3 330.837 2.694 20 30 EFEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)CO2 ZINC000532166730 270035294 /nfs/dbraw/zinc/03/52/94/270035294.db2.gz KHDUMJCUEMLKRZ-HNNXBMFYSA-N -1 3 328.393 2.587 20 30 EFEDHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000272068826 266143365 /nfs/dbraw/zinc/14/33/65/266143365.db2.gz QNKWWMMQWPWHQE-LSDHHAIUSA-N -1 3 340.420 2.569 20 30 EFEDHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000331243757 266347673 /nfs/dbraw/zinc/34/76/73/266347673.db2.gz ZADKLHIOLBFEQW-MNOVXSKESA-N -1 3 330.500 2.962 20 30 EFEDHM Cc1ccc(Cc2nnc([N-]C(=O)c3ccc(C#N)cn3)s2)cc1 ZINC000108249273 273009039 /nfs/dbraw/zinc/00/90/39/273009039.db2.gz QTZNLGZUTLRFPS-UHFFFAOYSA-N -1 3 335.392 2.956 20 30 EFEDHM N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccccc3[O-])C2)c(F)c1 ZINC000109701571 273012104 /nfs/dbraw/zinc/01/21/04/273012104.db2.gz ORVPMLYRDJCRSP-AWEZNQCLSA-N -1 3 339.370 2.802 20 30 EFEDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H]1C ZINC000331283301 267018883 /nfs/dbraw/zinc/01/88/83/267018883.db2.gz RTXINNKEBLHSBE-MDZLAQPJSA-N -1 3 337.401 2.569 20 30 EFEDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531367863 267181429 /nfs/dbraw/zinc/18/14/29/267181429.db2.gz DBBMTMGSPLUOGI-CHWSQXEVSA-N -1 3 328.434 2.650 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000331853737 267187054 /nfs/dbraw/zinc/18/70/54/267187054.db2.gz VQWFDCLMFZSNCP-XMZIXOGTSA-N -1 3 348.449 2.851 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc(C)ccc1C ZINC000528564593 267223187 /nfs/dbraw/zinc/22/31/87/267223187.db2.gz JUVOHMNTYWGTEV-HNNXBMFYSA-N -1 3 329.425 3.000 20 30 EFEDHM CC[C@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C[C@H](CC)O1 ZINC000421964780 267229236 /nfs/dbraw/zinc/22/92/36/267229236.db2.gz YAPBQSZUSNZYHM-GJZGRUSLSA-N -1 3 345.443 2.624 20 30 EFEDHM CN(C)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000525957173 267286427 /nfs/dbraw/zinc/28/64/27/267286427.db2.gz NZDHSWUTYMTTAO-INIZCTEOSA-N -1 3 343.814 2.950 20 30 EFEDHM CN(C)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000525957174 267288634 /nfs/dbraw/zinc/28/86/34/267288634.db2.gz NZDHSWUTYMTTAO-MRXNPFEDSA-N -1 3 343.814 2.950 20 30 EFEDHM COC(=O)CCSc1ncccc1[N-]C(=O)c1cc(C#N)cs1 ZINC000487015731 267361500 /nfs/dbraw/zinc/36/15/00/267361500.db2.gz QXXDWSWUFZFUMF-UHFFFAOYSA-N -1 3 347.421 2.922 20 30 EFEDHM Cc1nc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1C#N ZINC000291588000 267604676 /nfs/dbraw/zinc/60/46/76/267604676.db2.gz HEFWMECNLUAQPD-UHFFFAOYSA-N -1 3 336.395 2.822 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1[O-] ZINC000188411161 268035797 /nfs/dbraw/zinc/03/57/97/268035797.db2.gz OSKVCHRGSWCHOW-GOSISDBHSA-N -1 3 335.407 2.658 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1 ZINC000280409621 268098565 /nfs/dbraw/zinc/09/85/65/268098565.db2.gz AZRKBWCOCFXMDO-SNVBAGLBSA-N -1 3 334.775 2.925 20 30 EFEDHM N#Cc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1C(F)(F)F ZINC000276234014 268149131 /nfs/dbraw/zinc/14/91/31/268149131.db2.gz CZIJTSDXXXWXPB-VIFPVBQESA-N -1 3 329.278 2.667 20 30 EFEDHM N#Cc1ccc(O[C@H]2CCN(Cc3c(F)ccc([O-])c3F)C2)nc1 ZINC000294045571 268184853 /nfs/dbraw/zinc/18/48/53/268184853.db2.gz WRHUKWJUEPMNSO-LBPRGKRZSA-N -1 3 331.322 2.590 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCN(c3ccccc3)CC2)s1 ZINC000332125564 268198038 /nfs/dbraw/zinc/19/80/38/268198038.db2.gz IVEDZYPDXZTMFI-UHFFFAOYSA-N -1 3 347.465 2.567 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)cn1 ZINC000331188946 268203393 /nfs/dbraw/zinc/20/33/93/268203393.db2.gz VSYRYCBICYXKOO-ZWNOBZJWSA-N -1 3 347.362 2.600 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)c(F)c1 ZINC000523572145 268259296 /nfs/dbraw/zinc/25/92/96/268259296.db2.gz PAVCGIYETQXAEQ-QGZVFWFLSA-N -1 3 344.411 2.997 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1c1ccccc1 ZINC000276964551 268330976 /nfs/dbraw/zinc/33/09/76/268330976.db2.gz DWHRVUKXGYICRX-GJZGRUSLSA-N -1 3 327.409 2.568 20 30 EFEDHM Cc1nnc(Sc2nnc([N-]CC(F)(F)F)s2)c(C#N)c1C ZINC000286210126 274154540 /nfs/dbraw/zinc/15/45/40/274154540.db2.gz KSRCWOQBKPCZLG-UHFFFAOYSA-N -1 3 346.363 2.942 20 30 EFEDHM CCN=c1[n-]c(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000420214401 276255129 /nfs/dbraw/zinc/25/51/29/276255129.db2.gz ZVTYVXLZFJXQDW-AWEZNQCLSA-N -1 3 326.425 2.676 20 30 EFEDHM CCOC(=O)c1ccc(NC(=O)[C@]2(C#N)CC23CCCC3)c([O-])c1 ZINC000297502415 276299847 /nfs/dbraw/zinc/29/98/47/276299847.db2.gz NEVOKDASFFENQW-GOSISDBHSA-N -1 3 328.368 2.981 20 30 EFEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)CO2 ZINC000126746205 293048482 /nfs/dbraw/zinc/04/84/82/293048482.db2.gz TVBAQKAKJOQUSN-HNNXBMFYSA-N -1 3 328.393 2.587 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)cc1Cl ZINC000127888845 293084374 /nfs/dbraw/zinc/08/43/74/293084374.db2.gz CVIVHNHAJOSWQL-UHFFFAOYSA-N -1 3 326.736 2.857 20 30 EFEDHM N#Cc1ccsc1[N-]C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000151749659 293300838 /nfs/dbraw/zinc/30/08/38/293300838.db2.gz TVQYTWPQPVRVBI-UHFFFAOYSA-N -1 3 327.344 2.651 20 30 EFEDHM COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153497147 293379002 /nfs/dbraw/zinc/37/90/02/293379002.db2.gz PIOOHZLJUQCDGI-UHFFFAOYSA-N -1 3 332.743 2.943 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153619964 293384887 /nfs/dbraw/zinc/38/48/87/293384887.db2.gz DBWWMUDZSGWMTK-UHFFFAOYSA-N -1 3 345.786 2.794 20 30 EFEDHM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000153619964 293384891 /nfs/dbraw/zinc/38/48/91/293384891.db2.gz DBWWMUDZSGWMTK-UHFFFAOYSA-N -1 3 345.786 2.794 20 30 EFEDHM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1(C)C ZINC000443332479 294154491 /nfs/dbraw/zinc/15/44/91/294154491.db2.gz HUDSGLQMTJMWPI-HIFRSBDPSA-N -1 3 342.848 2.694 20 30 EFEDHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000061890928 303160261 /nfs/dbraw/zinc/16/02/61/303160261.db2.gz URSTVOSICOBSEM-GZMMTYOYSA-N -1 3 347.209 2.559 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000126860303 303175072 /nfs/dbraw/zinc/17/50/72/303175072.db2.gz HPYYXZMTKAZEIB-OAUYIBNBSA-N -1 3 344.823 2.828 20 30 EFEDHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000151093622 310679144 /nfs/dbraw/zinc/67/91/44/310679144.db2.gz ONOUUKGCXYUIEW-UHFFFAOYSA-N -1 3 348.399 2.617 20 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/nfs/dbraw/zinc/39/78/16/318397816.db2.gz CBAIIPIKFADMJO-HOTGVXAUSA-N -1 3 341.436 2.958 20 30 EFEDHM CSc1nc(C2CC2)cc(C(=O)N=c2cc3ccccn3[n-]2)c1C#N ZINC000557538238 318441097 /nfs/dbraw/zinc/44/10/97/318441097.db2.gz YWTMSDRWPKBDMA-UHFFFAOYSA-N -1 3 349.419 2.874 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cnc(C2CC2)o1 ZINC000569197269 319356547 /nfs/dbraw/zinc/35/65/47/319356547.db2.gz XKOQOVZNXINSPQ-UHFFFAOYSA-N -1 3 337.788 2.556 20 30 EFEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2cn([C@@H]3CCOC3)nn2)s1 ZINC000573303492 319752475 /nfs/dbraw/zinc/75/24/75/319752475.db2.gz CZDZHYYKEVLAML-LLVKDONJSA-N -1 3 345.428 2.722 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2Cc2ccccc2)c(F)c1 ZINC000578569361 320217342 /nfs/dbraw/zinc/21/73/42/320217342.db2.gz CENIHPJJHONFNJ-HOCLYGCPSA-N -1 3 330.384 2.607 20 30 EFEDHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000578581919 320217998 /nfs/dbraw/zinc/21/79/98/320217998.db2.gz MWXMTCRHYZMJIY-HNNXBMFYSA-N -1 3 332.400 2.997 20 30 EFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000182603026 323291482 /nfs/dbraw/zinc/29/14/82/323291482.db2.gz DMJPRDUJUBTTKZ-UHFFFAOYSA-N -1 3 347.378 2.935 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)s1 ZINC000579547686 323978060 /nfs/dbraw/zinc/97/80/60/323978060.db2.gz QWYPJCDKZOPQQP-AULYBMBSSA-N -1 3 336.413 2.983 20 30 EFEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccnc1C#N)CCC2 ZINC000581107689 324304973 /nfs/dbraw/zinc/30/49/73/324304973.db2.gz JGDSRJALEMBHNO-OAHLLOKOSA-N -1 3 327.409 2.618 20 30 EFEDHM COc1cc(C(=O)N(C)Cc2cccc(C#N)c2)cc(OC)c1[O-] ZINC000161415456 473233317 /nfs/dbraw/zinc/23/33/17/473233317.db2.gz RVXVKHVYSWTAHG-UHFFFAOYSA-N -1 3 326.352 2.553 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000081731005 473246895 /nfs/dbraw/zinc/24/68/95/473246895.db2.gz WVPKDVUTLZTOCR-UHFFFAOYSA-N -1 3 325.278 2.874 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000081731005 473246898 /nfs/dbraw/zinc/24/68/98/473246898.db2.gz WVPKDVUTLZTOCR-UHFFFAOYSA-N -1 3 325.278 2.874 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000081731005 473246903 /nfs/dbraw/zinc/24/69/03/473246903.db2.gz WVPKDVUTLZTOCR-UHFFFAOYSA-N -1 3 325.278 2.874 20 30 EFEDHM O=C(COC[C@@H]1CCCO1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731314 473247348 /nfs/dbraw/zinc/24/73/48/473247348.db2.gz ANCJNSFTXKNIJZ-VIFPVBQESA-N -1 3 338.314 2.534 20 30 EFEDHM O=C(COC[C@@H]1CCCO1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731314 473247353 /nfs/dbraw/zinc/24/73/53/473247353.db2.gz ANCJNSFTXKNIJZ-VIFPVBQESA-N -1 3 338.314 2.534 20 30 EFEDHM O=C(COC[C@@H]1CCCO1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731314 473247357 /nfs/dbraw/zinc/24/73/57/473247357.db2.gz ANCJNSFTXKNIJZ-VIFPVBQESA-N -1 3 338.314 2.534 20 30 EFEDHM N#Cc1c(F)cccc1-n1ccc(NC(=O)/C=C/c2cncc([O-])c2)n1 ZINC000492450587 467640506 /nfs/dbraw/zinc/64/05/06/467640506.db2.gz RMKYGWZUOCLRMD-SNAWJCMRSA-N -1 3 349.325 2.636 20 30 EFEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c1C ZINC000161757051 473258240 /nfs/dbraw/zinc/25/82/40/473258240.db2.gz QFHXNIJUDVESLO-UHFFFAOYSA-N -1 3 345.380 2.562 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(c2ccccn2)CC1 ZINC000184903750 473269387 /nfs/dbraw/zinc/26/93/87/473269387.db2.gz ASCLWJROFJAILT-UHFFFAOYSA-N -1 3 347.827 2.617 20 30 EFEDHM CCOC(=O)c1cc(NC(=O)C[C@H](CC#N)c2ccccc2)n[n-]1 ZINC000530432308 467983930 /nfs/dbraw/zinc/98/39/30/467983930.db2.gz IXFXBBIYQOZIAN-ZDUSSCGKSA-N -1 3 326.356 2.612 20 30 EFEDHM CCOC(=O)c1cc(NC(=O)C[C@H](CC#N)c2ccccc2)[n-]n1 ZINC000530432308 467983933 /nfs/dbraw/zinc/98/39/33/467983933.db2.gz IXFXBBIYQOZIAN-ZDUSSCGKSA-N -1 3 326.356 2.612 20 30 EFEDHM COCCC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000185041183 473309237 /nfs/dbraw/zinc/30/92/37/473309237.db2.gz ILVGBAOWACEEBB-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM N#C[C@]1([N-]S(=O)(=O)c2ccc(F)c(F)c2)CCc2ccccc2C1 ZINC000185146082 473343368 /nfs/dbraw/zinc/34/33/68/473343368.db2.gz YIONMZHLQAVQCX-KRWDZBQOSA-N -1 3 348.374 2.694 20 30 EFEDHM Cc1cccc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)c1F ZINC000185142575 473342328 /nfs/dbraw/zinc/34/23/28/473342328.db2.gz DGUCIIKMVHIOGL-SFHVURJKSA-N -1 3 344.411 2.864 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)c(F)c1 ZINC000185147212 473343767 /nfs/dbraw/zinc/34/37/67/473343767.db2.gz AOAOXCDZRHQRDS-SFHVURJKSA-N -1 3 344.411 2.864 20 30 EFEDHM C=C(C)COc1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000150854230 473366806 /nfs/dbraw/zinc/36/68/06/473366806.db2.gz RFAIJRGEVWHCSC-INIZCTEOSA-N -1 3 325.430 2.952 20 30 EFEDHM N#Cc1csc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 ZINC000084073105 473387459 /nfs/dbraw/zinc/38/74/59/473387459.db2.gz NFQLAKZBZRZLFN-UHFFFAOYSA-N -1 3 345.336 2.942 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000619752963 479875533 /nfs/dbraw/zinc/87/55/33/479875533.db2.gz FYZHIWZOVZGYAN-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM N#CCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c(Cl)c1 ZINC000416601615 477235264 /nfs/dbraw/zinc/23/52/64/477235264.db2.gz ZGXCLLWJQGPCSD-CHWSQXEVSA-N -1 3 330.812 2.965 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000015661750 471913608 /nfs/dbraw/zinc/91/36/08/471913608.db2.gz YOUGQWIJVYYCMH-XWCIJXRUSA-N -1 3 329.444 2.737 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccs1 ZINC000017842408 471965098 /nfs/dbraw/zinc/96/50/98/471965098.db2.gz IJDSANOBHGGFNN-GFCCVEGCSA-N -1 3 329.425 2.735 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000054184945 472065211 /nfs/dbraw/zinc/06/52/11/472065211.db2.gz ADYNYPGXMWNXIS-VIFPVBQESA-N -1 3 335.198 2.559 20 30 EFEDHM CCOc1cc(C([O-])=C(C#N)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000041493102 472066506 /nfs/dbraw/zinc/06/65/06/472066506.db2.gz VDEPPAFXDFIFFB-LBPRGKRZSA-N -1 3 341.323 2.887 20 30 EFEDHM CCOc1cc(C([O-])=C(C#N)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000041493103 472066776 /nfs/dbraw/zinc/06/67/76/472066776.db2.gz VDEPPAFXDFIFFB-GFCCVEGCSA-N -1 3 341.323 2.887 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(N3CCCC3=O)c2)nc(C)n1 ZINC000041562442 472069336 /nfs/dbraw/zinc/06/93/36/472069336.db2.gz PHHXXEZNJLMUOT-MRXNPFEDSA-N -1 3 334.379 2.710 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(NC(=O)C3CC3)c2)nc(C)n1 ZINC000041574466 472071225 /nfs/dbraw/zinc/07/12/25/472071225.db2.gz BYPMPKDUMDGJJO-INIZCTEOSA-N -1 3 334.379 2.932 20 30 EFEDHM Cn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccc21 ZINC000054726576 472112082 /nfs/dbraw/zinc/11/20/82/472112082.db2.gz JEXQROGHJDYWNX-CQSZACIVSA-N -1 3 333.395 2.986 20 30 EFEDHM O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000029352876 472271535 /nfs/dbraw/zinc/27/15/35/472271535.db2.gz ZANXQRXLWHGLKO-UHFFFAOYSA-N -1 3 331.313 2.783 20 30 EFEDHM CCN(CC)C(=O)CCC(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000087168048 472311985 /nfs/dbraw/zinc/31/19/85/472311985.db2.gz KLAFEKKWDGFVPS-UHFFFAOYSA-N -1 3 345.403 2.717 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000030359924 472329530 /nfs/dbraw/zinc/32/95/30/472329530.db2.gz ZNEJHCWTDCLKFR-NSHDSACASA-N -1 3 331.353 2.506 20 30 EFEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1OC ZINC000069442987 472344135 /nfs/dbraw/zinc/34/41/35/472344135.db2.gz DRJWOCNXFMMDPS-UHFFFAOYSA-N -1 3 336.344 2.515 20 30 EFEDHM COC(=O)c1sc([N-]C(=O)c2c(F)cc(C#N)cc2F)nc1C ZINC000154270787 472409721 /nfs/dbraw/zinc/40/97/21/472409721.db2.gz BHQNYMJTOIKOPI-UHFFFAOYSA-N -1 3 337.307 2.640 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000128341482 472438344 /nfs/dbraw/zinc/43/83/44/472438344.db2.gz AHFDIMBRRXMFIU-CGTJXYLNSA-N -1 3 342.395 2.704 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000116905618 472447487 /nfs/dbraw/zinc/44/74/87/472447487.db2.gz KBMQOOQIEXNHFA-QMMMGPOBSA-N -1 3 334.800 2.680 20 30 EFEDHM N#CC(=C([O-])c1cccc(-n2cccn2)c1)c1nnc2n1CCCCC2 ZINC000117084169 472453776 /nfs/dbraw/zinc/45/37/76/472453776.db2.gz IWGBTVCVFBMRKL-INIZCTEOSA-N -1 3 346.394 2.680 20 30 EFEDHM N#Cc1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000128743951 472491175 /nfs/dbraw/zinc/49/11/75/472491175.db2.gz KNTJUKGFNWDONO-UHFFFAOYSA-N -1 3 341.845 2.664 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC(c2ccccc2)C1 ZINC000077339822 472507701 /nfs/dbraw/zinc/50/77/01/472507701.db2.gz PDLZCPLDVBFGPM-UHFFFAOYSA-N -1 3 349.434 2.858 20 30 EFEDHM N#CCCCC[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000070940711 472527182 /nfs/dbraw/zinc/52/71/82/472527182.db2.gz IMFBUXFMFMJCCE-UHFFFAOYSA-N -1 3 335.198 2.560 20 30 EFEDHM CCc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)[nH]c(C)c1C(C)=O ZINC000058289295 472536487 /nfs/dbraw/zinc/53/64/87/472536487.db2.gz UNXUGYGYNDUIJK-UHFFFAOYSA-N -1 3 338.371 2.905 20 30 EFEDHM CCc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)[nH]c(C)c1C(C)=O ZINC000058289295 472536492 /nfs/dbraw/zinc/53/64/92/472536492.db2.gz UNXUGYGYNDUIJK-UHFFFAOYSA-N -1 3 338.371 2.905 20 30 EFEDHM CCc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)[nH]c(C)c1C(C)=O ZINC000058289295 472536498 /nfs/dbraw/zinc/53/64/98/472536498.db2.gz UNXUGYGYNDUIJK-UHFFFAOYSA-N -1 3 338.371 2.905 20 30 EFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c([O-])cccc1F ZINC000119810152 472584819 /nfs/dbraw/zinc/58/48/19/472584819.db2.gz SDYACZDOCNRMMX-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM O=C(CCCNC(=O)c1ccccc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000071869386 472591566 /nfs/dbraw/zinc/59/15/66/472591566.db2.gz IPPUAXFRCPDCRX-UHFFFAOYSA-N -1 3 341.293 2.622 20 30 EFEDHM O=C(CCCNC(=O)c1ccccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000071869386 472591569 /nfs/dbraw/zinc/59/15/69/472591569.db2.gz IPPUAXFRCPDCRX-UHFFFAOYSA-N -1 3 341.293 2.622 20 30 EFEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1F ZINC000103026106 472606857 /nfs/dbraw/zinc/60/68/57/472606857.db2.gz OXQUAJRJWPFRIO-UHFFFAOYSA-N -1 3 327.359 2.882 20 30 EFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000130461423 472608093 /nfs/dbraw/zinc/60/80/93/472608093.db2.gz BEMPLHCPVUHFJD-NHYWBVRUSA-N -1 3 337.401 2.654 20 30 EFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000130461640 472608264 /nfs/dbraw/zinc/60/82/64/472608264.db2.gz BEMPLHCPVUHFJD-IAQYHMDHSA-N -1 3 337.401 2.654 20 30 EFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000130557863 472613508 /nfs/dbraw/zinc/61/35/08/472613508.db2.gz QSDQWUAAKHAGSS-LKFCYVNXSA-N -1 3 332.347 2.855 20 30 EFEDHM C=CCCS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000120083826 472628062 /nfs/dbraw/zinc/62/80/62/472628062.db2.gz JJDPBYIOVOMEDF-UHFFFAOYSA-N -1 3 328.821 2.550 20 30 EFEDHM Cc1cccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1[O-] ZINC000155984405 472650859 /nfs/dbraw/zinc/65/08/59/472650859.db2.gz GCRXUQYKBKAQLK-UHFFFAOYSA-N -1 3 339.370 2.674 20 30 EFEDHM O=C([N-]Cc1noc(C(F)(F)F)n1)c1c(F)c(F)cc(F)c1F ZINC000622565432 480001598 /nfs/dbraw/zinc/00/15/98/480001598.db2.gz GVBWQLVPPMBBFT-UHFFFAOYSA-N -1 3 343.158 2.575 20 30 EFEDHM Cc1ccc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c([O-])c1 ZINC000104137656 472657912 /nfs/dbraw/zinc/65/79/12/472657912.db2.gz UXCZMDPKZHKLML-UHFFFAOYSA-N -1 3 333.351 2.593 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc2c1oc(=O)n2C ZINC000156206637 472677236 /nfs/dbraw/zinc/67/72/36/472677236.db2.gz KTYFSMWOAGBKAL-LBPRGKRZSA-N -1 3 346.346 2.508 20 30 EFEDHM COc1cc(C)ccc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000060952220 472685020 /nfs/dbraw/zinc/68/50/20/472685020.db2.gz GULSKBQACOOYNS-UHFFFAOYSA-N -1 3 340.379 2.719 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c(F)cccc1F ZINC000060944292 472685253 /nfs/dbraw/zinc/68/52/53/472685253.db2.gz CZWLEHUIJDYQBJ-UHFFFAOYSA-N -1 3 331.322 2.713 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2ccccc21 ZINC000060943341 472685289 /nfs/dbraw/zinc/68/52/89/472685289.db2.gz OBNUEIGZGJKXIF-UHFFFAOYSA-N -1 3 335.407 2.775 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120690202 472730824 /nfs/dbraw/zinc/73/08/24/472730824.db2.gz UXYIRRJIHPTUIQ-MRVPVSSYSA-N -1 3 349.206 2.600 20 30 EFEDHM C=CCN(CC=C)C(=O)CSc1nc2nc(C)cc(C)c2c(=O)[n-]1 ZINC000078540247 472730992 /nfs/dbraw/zinc/73/09/92/472730992.db2.gz NYAJLUIERSDUGP-UHFFFAOYSA-N -1 3 344.440 2.640 20 30 EFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N(CCC#N)CC1CC1)c2=O ZINC000156718303 472743588 /nfs/dbraw/zinc/74/35/88/472743588.db2.gz NCQUUTTZXQSZSG-UHFFFAOYSA-N -1 3 327.359 2.742 20 30 EFEDHM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000157136070 472789244 /nfs/dbraw/zinc/78/92/44/472789244.db2.gz HJSGSZOYQWUYBO-UHFFFAOYSA-N -1 3 348.399 2.617 20 30 EFEDHM COc1ccc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000064307893 472841546 /nfs/dbraw/zinc/84/15/46/472841546.db2.gz OXEZOZAAWRJFHF-LFYBBSHMSA-N -1 3 331.393 2.963 20 30 EFEDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000157697322 472849740 /nfs/dbraw/zinc/84/97/40/472849740.db2.gz XMZWMJQYJJXFSC-OLZOCXBDSA-N -1 3 328.434 2.650 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065061156 472895151 /nfs/dbraw/zinc/89/51/51/472895151.db2.gz CZAREKRGQUOWOJ-UHFFFAOYSA-N -1 3 349.310 2.893 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065061156 472895158 /nfs/dbraw/zinc/89/51/58/472895158.db2.gz CZAREKRGQUOWOJ-UHFFFAOYSA-N -1 3 349.310 2.893 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065061156 472895161 /nfs/dbraw/zinc/89/51/61/472895161.db2.gz CZAREKRGQUOWOJ-UHFFFAOYSA-N -1 3 349.310 2.893 20 30 EFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000121746763 472905026 /nfs/dbraw/zinc/90/50/26/472905026.db2.gz APWNLCMOUXDPOF-LLVKDONJSA-N -1 3 349.225 2.805 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2ccc3c(c2)CCO3)cc1 ZINC000065576246 472979820 /nfs/dbraw/zinc/97/98/20/472979820.db2.gz VGEOHTDGUCBKHB-KRXBUXKQSA-N -1 3 343.404 2.889 20 30 EFEDHM CCOC(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000074294124 472981583 /nfs/dbraw/zinc/98/15/83/472981583.db2.gz ZBSAOPZSENNFHV-SNVBAGLBSA-N -1 3 333.348 2.521 20 30 EFEDHM CCOC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000074294124 472981588 /nfs/dbraw/zinc/98/15/88/472981588.db2.gz ZBSAOPZSENNFHV-SNVBAGLBSA-N -1 3 333.348 2.521 20 30 EFEDHM CCOC(=O)N1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000074294124 472981594 /nfs/dbraw/zinc/98/15/94/472981594.db2.gz ZBSAOPZSENNFHV-SNVBAGLBSA-N -1 3 333.348 2.521 20 30 EFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000122269815 472995695 /nfs/dbraw/zinc/99/56/95/472995695.db2.gz FRKQUKHEBDGOLO-UHFFFAOYSA-N -1 3 341.845 2.764 20 30 EFEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000122283579 472996900 /nfs/dbraw/zinc/99/69/00/472996900.db2.gz DYGADKMHZKKSEE-CQSZACIVSA-N -1 3 333.347 2.850 20 30 EFEDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000122318418 473000345 /nfs/dbraw/zinc/00/03/45/473000345.db2.gz JSJNDYHZFMIVCK-SNVBAGLBSA-N -1 3 330.837 2.694 20 30 EFEDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2cc(C#N)ccc2F)cc1F ZINC000122342949 473002479 /nfs/dbraw/zinc/00/24/79/473002479.db2.gz XYYOKDNAVFQMIC-UHFFFAOYSA-N -1 3 340.326 2.763 20 30 EFEDHM Cc1ccc([O-])c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 ZINC000122636990 473040815 /nfs/dbraw/zinc/04/08/15/473040815.db2.gz ALRWBEQKTDPYKL-GOSISDBHSA-N -1 3 335.407 2.723 20 30 EFEDHM N#Cc1cccc(CS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)c1 ZINC000108592795 473044616 /nfs/dbraw/zinc/04/46/16/473044616.db2.gz DGGYYWGHANFGRR-UHFFFAOYSA-N -1 3 344.440 2.773 20 30 EFEDHM N#Cc1cccc(CS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)c1 ZINC000108592795 473044622 /nfs/dbraw/zinc/04/46/22/473044622.db2.gz DGGYYWGHANFGRR-UHFFFAOYSA-N -1 3 344.440 2.773 20 30 EFEDHM Cc1cc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)o1 ZINC000075124489 473132177 /nfs/dbraw/zinc/13/21/77/473132177.db2.gz PHOPSPALNLCJBZ-ZDUSSCGKSA-N -1 3 341.411 2.883 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2cccs2)c1 ZINC000160760515 473172306 /nfs/dbraw/zinc/17/23/06/473172306.db2.gz ACZRLJYWWBHLEN-UHFFFAOYSA-N -1 3 326.830 2.794 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000094541205 473186237 /nfs/dbraw/zinc/18/62/37/473186237.db2.gz CTCDMUNQDLITGV-QMMMGPOBSA-N -1 3 337.264 2.790 20 30 EFEDHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151071418 473404340 /nfs/dbraw/zinc/40/43/40/473404340.db2.gz QZOPZFWPWNNVHH-IUODEOHRSA-N -1 3 340.420 2.571 20 30 EFEDHM N#Cc1cccc(OC2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)c1 ZINC000171552401 473409113 /nfs/dbraw/zinc/40/91/13/473409113.db2.gz OKSRBDLSFRPFRM-UHFFFAOYSA-N -1 3 347.378 2.513 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc(C)cs1 ZINC000151160743 473417626 /nfs/dbraw/zinc/41/76/26/473417626.db2.gz LETIICYPFCPQKB-GFCCVEGCSA-N -1 3 339.417 2.892 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000151173759 473420287 /nfs/dbraw/zinc/42/02/87/473420287.db2.gz PGWCQESCETWGLG-ZDUSSCGKSA-N -1 3 346.383 2.542 20 30 EFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151179791 473421402 /nfs/dbraw/zinc/42/14/02/473421402.db2.gz GSVUYGVXLGCLPN-UHFFFAOYSA-N -1 3 346.383 2.741 20 30 EFEDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000151205008 473425092 /nfs/dbraw/zinc/42/50/92/473425092.db2.gz WAPAROVEXZGBCQ-VXGBXAGGSA-N -1 3 328.434 2.650 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c1 ZINC000177998546 473457315 /nfs/dbraw/zinc/45/73/15/473457315.db2.gz GJIAZNNSDIGYSL-CYBMUJFWSA-N -1 3 332.812 2.830 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nccs1 ZINC000185820188 473523564 /nfs/dbraw/zinc/52/35/64/473523564.db2.gz RKTNXMPQHZRHFM-SECBINFHSA-N -1 3 341.845 2.750 20 30 EFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000126603353 473529946 /nfs/dbraw/zinc/52/99/46/473529946.db2.gz WMOPDQZLIBWICS-UHFFFAOYSA-N -1 3 346.811 2.519 20 30 EFEDHM C=CCCOCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000127020190 473569190 /nfs/dbraw/zinc/56/91/90/473569190.db2.gz FQNRQNQIKKWBFZ-UHFFFAOYSA-N -1 3 343.221 2.547 20 30 EFEDHM COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000178808775 473569247 /nfs/dbraw/zinc/56/92/47/473569247.db2.gz DTUNNZCXAZHXSY-UHFFFAOYSA-N -1 3 336.344 2.515 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000186166627 473606237 /nfs/dbraw/zinc/60/62/37/473606237.db2.gz SPWBRXHOJXYWLF-GFCCVEGCSA-N -1 3 342.848 2.839 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000186276368 473636023 /nfs/dbraw/zinc/63/60/23/473636023.db2.gz ZUNBPUVAMPPFGN-LBPRGKRZSA-N -1 3 332.347 2.556 20 30 EFEDHM CSc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1 ZINC000116241353 473641830 /nfs/dbraw/zinc/64/18/30/473641830.db2.gz SFWBVGYXINSFCE-UHFFFAOYSA-N -1 3 342.424 2.552 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2Cc3ccccc3C2)c(Cl)c1 ZINC000186374360 473662387 /nfs/dbraw/zinc/66/23/87/473662387.db2.gz DRAIASVOCADCDP-UHFFFAOYSA-N -1 3 332.812 2.657 20 30 EFEDHM N#CCOc1ccc(/C=C/C(=O)[N-]OCc2ccc(F)cc2)cc1 ZINC000186468243 473678201 /nfs/dbraw/zinc/67/82/01/473678201.db2.gz TUBJZRBCVSCCSS-BJMVGYQFSA-N -1 3 326.327 2.989 20 30 EFEDHM N#Cc1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)ccc1F ZINC000172892491 473698135 /nfs/dbraw/zinc/69/81/35/473698135.db2.gz RJFHQYKFGICEIB-UHFFFAOYSA-N -1 3 338.335 2.657 20 30 EFEDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)s1 ZINC000186724677 473743464 /nfs/dbraw/zinc/74/34/64/473743464.db2.gz DHFHBEFYMZDAIA-VIFPVBQESA-N -1 3 339.417 2.544 20 30 EFEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000281534116 473756079 /nfs/dbraw/zinc/75/60/79/473756079.db2.gz WJZARCHXWBZCRL-MRVPVSSYSA-N -1 3 337.626 2.683 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000281699145 473810457 /nfs/dbraw/zinc/81/04/57/473810457.db2.gz PPNDOTFIGAOBTM-SECBINFHSA-N -1 3 334.775 2.925 20 30 EFEDHM CCCCCCCS(=O)(=O)[N-]c1ccccc1SCC(N)=O ZINC000193840418 473813094 /nfs/dbraw/zinc/81/30/94/473813094.db2.gz JTPCENOHUDZRRX-UHFFFAOYSA-N -1 3 344.502 2.976 20 30 EFEDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C#N)cc2C)o1 ZINC000173352295 473814132 /nfs/dbraw/zinc/81/41/32/473814132.db2.gz VCSPQUPYRQVZDX-HNNXBMFYSA-N -1 3 348.424 2.688 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000269467509 473820783 /nfs/dbraw/zinc/82/07/83/473820783.db2.gz JOTNWTVGYQPSMV-QMMMGPOBSA-N -1 3 349.206 2.600 20 30 EFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000281874670 473868467 /nfs/dbraw/zinc/86/84/67/473868467.db2.gz MMYAVCRFQZCFGU-SSDOTTSWSA-N -1 3 337.626 2.683 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000288245446 473885635 /nfs/dbraw/zinc/88/56/35/473885635.db2.gz BAQKKXGPUHQUKT-ZCFIWIBFSA-N -1 3 346.252 2.806 20 30 EFEDHM N#Cc1ccc(OC(F)F)c(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000274753897 473945030 /nfs/dbraw/zinc/94/50/30/473945030.db2.gz BTPDWSXFZNAUAD-LBPRGKRZSA-N -1 3 327.287 2.739 20 30 EFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000274753897 473945038 /nfs/dbraw/zinc/94/50/38/473945038.db2.gz BTPDWSXFZNAUAD-LBPRGKRZSA-N -1 3 327.287 2.739 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000180857119 473978475 /nfs/dbraw/zinc/97/84/75/473978475.db2.gz XEBJBKRQDBNPKO-NSHDSACASA-N -1 3 328.390 2.627 20 30 EFEDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000274831116 473978656 /nfs/dbraw/zinc/97/86/56/473978656.db2.gz ZIVWMQCIRLLNIE-OCCSQVGLSA-N -1 3 342.848 2.694 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C1CC1)C(F)(F)F ZINC000288565208 473982789 /nfs/dbraw/zinc/98/27/89/473982789.db2.gz KWIOMJRXDBERTI-AWEZNQCLSA-N -1 3 341.333 2.665 20 30 EFEDHM Cc1cccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)c1 ZINC000181292126 474024187 /nfs/dbraw/zinc/02/41/87/474024187.db2.gz LEWRLTOICQBOLI-SNVBAGLBSA-N -1 3 338.289 2.694 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[O-] ZINC000188232894 474027222 /nfs/dbraw/zinc/02/72/22/474027222.db2.gz WAEGNUWDLOHFAN-OAHLLOKOSA-N -1 3 341.436 2.892 20 30 EFEDHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000188295280 474049334 /nfs/dbraw/zinc/04/93/34/474049334.db2.gz ALGJQWGCEKEMKY-UHFFFAOYSA-N -1 3 342.848 2.695 20 30 EFEDHM N#Cc1ccc(C(=O)NC2CCN(CCc3ccccc3)CC2)cc1[O-] ZINC000188298535 474049614 /nfs/dbraw/zinc/04/96/14/474049614.db2.gz KZKQOUVBLRWEGK-UHFFFAOYSA-N -1 3 349.434 2.701 20 30 EFEDHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(C)C ZINC000188384667 474078456 /nfs/dbraw/zinc/07/84/56/474078456.db2.gz KZYJCDKMKZJTSW-CYBMUJFWSA-N -1 3 330.837 2.551 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000282478185 474080359 /nfs/dbraw/zinc/08/03/59/474080359.db2.gz XJFUKYBKEQAFTO-SNVBAGLBSA-N -1 3 332.347 2.801 20 30 EFEDHM C=CCN(CC=C)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)C(C)C ZINC000188398712 474082697 /nfs/dbraw/zinc/08/26/97/474082697.db2.gz ZQROHTXLPDXDAK-KRWDZBQOSA-N -1 3 327.428 2.692 20 30 EFEDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCSC[C@H]3C#N)c(=O)c2c1 ZINC000275163459 474090906 /nfs/dbraw/zinc/09/09/06/474090906.db2.gz VCDVKAZZSJZKMQ-GFCCVEGCSA-N -1 3 327.409 2.638 20 30 EFEDHM COc1ccc(C[C@H](C)C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000270396487 474104286 /nfs/dbraw/zinc/10/42/86/474104286.db2.gz DFQRUWDSEXTAOY-HSWQHBDASA-N -1 3 328.412 2.894 20 30 EFEDHM Cc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1[O-] ZINC000265123621 474167847 /nfs/dbraw/zinc/16/78/47/474167847.db2.gz HVVNCBKBMPZLCA-QGZVFWFLSA-N -1 3 335.407 2.551 20 30 EFEDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183670402 474408938 /nfs/dbraw/zinc/40/89/38/474408938.db2.gz ROSIESAYMSPBGD-GFCCVEGCSA-N -1 3 330.837 2.695 20 30 EFEDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183670385 474409946 /nfs/dbraw/zinc/40/99/46/474409946.db2.gz ROSIESAYMSPBGD-LBPRGKRZSA-N -1 3 330.837 2.695 20 30 EFEDHM Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(F)ccc3[O-])CC2)o1 ZINC000189477001 474410962 /nfs/dbraw/zinc/41/09/62/474410962.db2.gz JLXNYVWOFLLDMT-UHFFFAOYSA-N -1 3 344.346 2.555 20 30 EFEDHM C=CCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000276097169 474416333 /nfs/dbraw/zinc/41/63/33/474416333.db2.gz DVIPGXFUKHSQEW-UHFFFAOYSA-N -1 3 342.436 2.551 20 30 EFEDHM CCOC(=O)[C@](C)(C/N=C/c1ccc(O)c([O-])c1O)c1ccccc1 ZINC000276107346 474419030 /nfs/dbraw/zinc/41/90/30/474419030.db2.gz AAVTWTUPTGFGNB-YBCYLVPRSA-N -1 3 343.379 2.743 20 30 EFEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3ccccn3)cn2)C[C@@H](C)O1 ZINC000248775021 474432993 /nfs/dbraw/zinc/43/29/93/474432993.db2.gz RXGVFODNBUDELA-IIAWOOMASA-N -1 3 336.395 2.580 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000189531168 474433315 /nfs/dbraw/zinc/43/33/15/474433315.db2.gz JJCILYAQTFVZPU-QGZVFWFLSA-N -1 3 331.372 2.517 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000189531168 474433322 /nfs/dbraw/zinc/43/33/22/474433322.db2.gz JJCILYAQTFVZPU-QGZVFWFLSA-N -1 3 331.372 2.517 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C2CCC(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000271232120 474454505 /nfs/dbraw/zinc/45/45/05/474454505.db2.gz UUPOYBSMTHAWFV-UFFVCSGVSA-N -1 3 348.443 2.907 20 30 EFEDHM CO[C@H](c1ccc(F)cc1)[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000271245404 474457874 /nfs/dbraw/zinc/45/78/74/474457874.db2.gz CBHRZEPZCDQHTE-GCFCWTNHSA-N -1 3 332.375 2.922 20 30 EFEDHM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1cnc2ccccc2n1 ZINC000241466061 474556094 /nfs/dbraw/zinc/55/60/94/474556094.db2.gz NUJJDZADFPEOMH-CQSZACIVSA-N -1 3 340.346 2.905 20 30 EFEDHM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1cnc2ccccc2n1 ZINC000241466060 474556271 /nfs/dbraw/zinc/55/62/71/474556271.db2.gz NUJJDZADFPEOMH-AWEZNQCLSA-N -1 3 340.346 2.905 20 30 EFEDHM CC(C)(CNC(=O)c1ccc(C#N)c([O-])c1)N1CCc2ccccc2C1 ZINC000190262451 474571588 /nfs/dbraw/zinc/57/15/88/474571588.db2.gz FWUDMEKWWQOAON-UHFFFAOYSA-N -1 3 349.434 2.831 20 30 EFEDHM Cc1cc(C/N=C/c2c([O-])c(C)ncc2CO)cc(N2CCCC2)n1 ZINC000290526367 474575809 /nfs/dbraw/zinc/57/58/09/474575809.db2.gz KJWUNKMRMAVHMP-RGVLZGJSSA-N -1 3 340.427 2.511 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000271752766 474589393 /nfs/dbraw/zinc/58/93/93/474589393.db2.gz ZOGWRTKEZXWHNB-RHSMWYFYSA-N -1 3 345.443 2.528 20 30 EFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000291000587 474589798 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476504446 /nfs/dbraw/zinc/50/44/46/476504446.db2.gz YRLOUNHOKSBBIZ-UHFFFAOYSA-N -1 3 348.366 2.527 20 30 EFEDHM CCOC(=O)c1nc(-c2cccc(CNc3cccc(C#N)n3)c2)n[n-]1 ZINC000357634590 476504453 /nfs/dbraw/zinc/50/44/53/476504453.db2.gz YRLOUNHOKSBBIZ-UHFFFAOYSA-N -1 3 348.366 2.527 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC ZINC000352088941 476521979 /nfs/dbraw/zinc/52/19/79/476521979.db2.gz FGGWXPODNZFAJG-LLVKDONJSA-N -1 3 329.418 2.652 20 30 EFEDHM N#CC(=C([O-])c1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccncn1 ZINC000352366430 476666069 /nfs/dbraw/zinc/66/60/69/476666069.db2.gz FINQZCQAQIYVSI-AWEZNQCLSA-N -1 3 330.351 2.629 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000365758960 476687249 /nfs/dbraw/zinc/68/72/49/476687249.db2.gz IPVFYAUBDWQYDA-SFHVURJKSA-N -1 3 339.439 2.999 20 30 EFEDHM CC(C)(C)CC[C@H]([N-]S(=O)(=O)CCCC#N)C(=O)OC(C)(C)C ZINC000451901688 476710185 /nfs/dbraw/zinc/71/01/85/476710185.db2.gz MKLCNVBAHQEMJK-ZDUSSCGKSA-N -1 3 346.493 2.746 20 30 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20 30 EFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)CC(C)C ZINC000416650770 477250194 /nfs/dbraw/zinc/25/01/94/477250194.db2.gz QYGKIWZPBCHCOU-LBPRGKRZSA-N -1 3 330.837 2.551 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@@H]1CC1(C)C ZINC000416656000 477251564 /nfs/dbraw/zinc/25/15/64/477251564.db2.gz WVNSLKFQYUOIKC-NWDGAFQWSA-N -1 3 337.401 2.569 20 30 EFEDHM Cc1ncc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000416662721 477254694 /nfs/dbraw/zinc/25/46/94/477254694.db2.gz PDMYIQBJYYMWDN-AWEZNQCLSA-N -1 3 333.438 2.679 20 30 EFEDHM N#CCCCOc1cccc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424059431 477277671 /nfs/dbraw/zinc/27/76/71/477277671.db2.gz BOKQTXMHKJSNKG-UHFFFAOYSA-N -1 3 338.429 2.537 20 30 EFEDHM N#CCc1cc(Cl)ccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424060338 477277776 /nfs/dbraw/zinc/27/77/76/477277776.db2.gz CVLYUCHTMCQQJC-UHFFFAOYSA-N -1 3 328.821 2.574 20 30 EFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1C#N ZINC000424063547 477279138 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CCOCCOCc1cccc([N-]S(=O)(=O)[C@@H](C#N)CC)c1C ZINC000416961897 477388506 /nfs/dbraw/zinc/38/85/06/477388506.db2.gz STMIWAYYHRTFMS-OAHLLOKOSA-N -1 3 340.445 2.592 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000436189048 477437675 /nfs/dbraw/zinc/43/76/75/477437675.db2.gz SOAUKLXUNCHTSK-UHFFFAOYSA-N -1 3 335.157 2.858 20 30 EFEDHM C=CCn1c(S[C@H](Cc2ccc(F)cc2F)C(C)=O)n[n-]c1=O ZINC000436212621 477443666 /nfs/dbraw/zinc/44/36/66/477443666.db2.gz VVBREHMQLQMTSX-CYBMUJFWSA-N -1 3 339.367 2.740 20 30 EFEDHM COc1ccc([C@H](CCC(=O)[O-])NCc2cc(C#N)n(C)c2)cc1 ZINC000417572902 477457813 /nfs/dbraw/zinc/45/78/13/477457813.db2.gz HAJSFKUQQVMALQ-KRWDZBQOSA-N -1 3 327.384 2.601 20 30 EFEDHM COc1ccc(CNCC2(C#N)CCC2)c(Br)c1[O-] ZINC000418135583 477466255 /nfs/dbraw/zinc/46/62/55/477466255.db2.gz BBNKFOLAKCIHLD-UHFFFAOYSA-N -1 3 325.206 2.947 20 30 EFEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000424678020 477477265 /nfs/dbraw/zinc/47/72/65/477477265.db2.gz IADZMTQORVEWTH-UHFFFAOYSA-N -1 3 340.420 2.807 20 30 EFEDHM C[C@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000367449978 477516345 /nfs/dbraw/zinc/51/63/45/477516345.db2.gz FZKABHYWMOMSSF-DIFFPNOSSA-N -1 3 346.383 2.639 20 30 EFEDHM C=C(C)C(C)(C)C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000424893462 477557382 /nfs/dbraw/zinc/55/73/82/477557382.db2.gz OYVQSMWTLBVKPN-ZDUSSCGKSA-N -1 3 337.391 2.582 20 30 EFEDHM C=CCC1(C(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)CCC1 ZINC000436949421 477645094 /nfs/dbraw/zinc/64/50/94/477645094.db2.gz RWIVXMIAWOEUMP-UHFFFAOYSA-N -1 3 342.439 2.859 20 30 EFEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)s1 ZINC000425186503 477663519 /nfs/dbraw/zinc/66/35/19/477663519.db2.gz ATDNAQDGYYVOFV-DTWKUNHWSA-N -1 3 349.275 2.790 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)c(F)c2)C1 ZINC000425188933 477664531 /nfs/dbraw/zinc/66/45/31/477664531.db2.gz KVOSLLGGVWHNLU-DTWKUNHWSA-N -1 3 347.209 2.559 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2F)C1 ZINC000425191488 477665129 /nfs/dbraw/zinc/66/51/29/477665129.db2.gz WMSOWSFNVNXZQP-WCBMZHEXSA-N -1 3 347.209 2.559 20 30 EFEDHM N#Cc1ccc(C2=CCN(C(=O)/C=C/c3cncc([O-])c3)CC2)cc1 ZINC000367901930 477744902 /nfs/dbraw/zinc/74/49/02/477744902.db2.gz IIJQIPONGQODPF-ZZXKWVIFSA-N -1 3 331.375 2.988 20 30 EFEDHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1C#N ZINC000451083611 477814774 /nfs/dbraw/zinc/81/47/74/477814774.db2.gz ICQKIWYTVLOSCY-CQSZACIVSA-N -1 3 338.429 2.656 20 30 EFEDHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(CC#N)c2)no1 ZINC000451118682 477833470 /nfs/dbraw/zinc/83/34/70/477833470.db2.gz YFOPKPVVDHQAKV-UHFFFAOYSA-N -1 3 333.413 2.980 20 30 EFEDHM COCCN(Cc1ccc(C#N)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459331750 477847386 /nfs/dbraw/zinc/84/73/86/477847386.db2.gz WMLWGZXWLKXRAF-UHFFFAOYSA-N -1 3 338.411 2.580 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1Cl ZINC000428238054 477848565 /nfs/dbraw/zinc/84/85/65/477848565.db2.gz CLKUSGGFOMUOGN-UHFFFAOYSA-N -1 3 349.843 2.863 20 30 EFEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000451169471 477857445 /nfs/dbraw/zinc/85/74/45/477857445.db2.gz FZWSBPYRRUTPDC-UHFFFAOYSA-N -1 3 348.443 2.908 20 30 EFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428373925 477880548 /nfs/dbraw/zinc/88/05/48/477880548.db2.gz MBNFUWJNUMUNLI-OAHLLOKOSA-N -1 3 327.409 2.939 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000428390435 477883286 /nfs/dbraw/zinc/88/32/86/477883286.db2.gz BWVCPVKOOVPNJM-UHFFFAOYSA-N -1 3 333.800 2.574 20 30 EFEDHM C[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428397144 477885461 /nfs/dbraw/zinc/88/54/61/477885461.db2.gz HBTHINXBPYALEX-SJCJKPOMSA-N -1 3 327.409 2.555 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc2cccc(F)c2o1 ZINC000428408354 477888076 /nfs/dbraw/zinc/88/80/76/477888076.db2.gz SUDDUQQNLBHEDC-JTQLQIEISA-N -1 3 345.355 2.878 20 30 EFEDHM C=C(C)[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)c(F)c1 ZINC000428410467 477888211 /nfs/dbraw/zinc/88/82/11/477888211.db2.gz FFFFLYQWPBGSSS-INIZCTEOSA-N -1 3 349.362 2.827 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c(F)c1 ZINC000558594551 477892120 /nfs/dbraw/zinc/89/21/20/477892120.db2.gz WRSIWUSLRUQRJY-LLVKDONJSA-N -1 3 332.347 2.801 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1cncs1 ZINC000439194619 477940909 /nfs/dbraw/zinc/94/09/09/477940909.db2.gz XCLQMIQOIILBDP-QMMMGPOBSA-N -1 3 327.818 2.708 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000532765777 477985853 /nfs/dbraw/zinc/98/58/53/477985853.db2.gz YTCFQLHEALXYPQ-VIFPVBQESA-N -1 3 335.198 2.559 20 30 EFEDHM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421156183 477987714 /nfs/dbraw/zinc/98/77/14/477987714.db2.gz OSCMVYZMGJKDJM-CQSZACIVSA-N -1 3 339.461 2.793 20 30 EFEDHM CCCC[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)OC(C)(C)C ZINC000451392691 477990250 /nfs/dbraw/zinc/99/02/50/477990250.db2.gz MRLDMQJKPUEFSP-ZDUSSCGKSA-N -1 3 346.493 2.746 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000451394718 477991066 /nfs/dbraw/zinc/99/10/66/477991066.db2.gz TWYCWCHIJOJTSR-CZUORRHYSA-N -1 3 329.400 2.673 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000451394718 477991073 /nfs/dbraw/zinc/99/10/73/477991073.db2.gz TWYCWCHIJOJTSR-CZUORRHYSA-N -1 3 329.400 2.673 20 30 EFEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(C)cc(C#N)c1 ZINC000421163474 477991329 /nfs/dbraw/zinc/99/13/29/477991329.db2.gz HYIMQLAJYRNBCY-GOSISDBHSA-N -1 3 344.436 2.866 20 30 EFEDHM C=CC1CCN(C(=O)N=c2cc3ccc(Br)cn3[n-]2)CC1 ZINC000482171363 478027132 /nfs/dbraw/zinc/02/71/32/478027132.db2.gz VAUUBMGMACQDDQ-UHFFFAOYSA-N -1 3 349.232 2.949 20 30 EFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000451801947 478207749 /nfs/dbraw/zinc/20/77/49/478207749.db2.gz JRECJOFRHFGPOW-UHFFFAOYSA-N -1 3 334.800 2.682 20 30 EFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000451807904 478211490 /nfs/dbraw/zinc/21/14/90/478211490.db2.gz BYVXXMYABUBCCH-UHFFFAOYSA-N -1 3 331.821 2.617 20 30 EFEDHM C=CCn1c(SCc2ncccc2[O-])nnc1-c1ccccn1 ZINC000519526772 478229648 /nfs/dbraw/zinc/22/96/48/478229648.db2.gz ZSCUZPCBWIGPCA-UHFFFAOYSA-N -1 3 325.397 2.919 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Br)CC1 ZINC000562374539 478240067 /nfs/dbraw/zinc/24/00/67/478240067.db2.gz LKHRDACOQHBTLC-UHFFFAOYSA-N -1 3 349.637 2.685 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489493144 478251236 /nfs/dbraw/zinc/25/12/36/478251236.db2.gz DOOJJTLZZRSNHY-MRVPVSSYSA-N -1 3 327.299 2.967 20 30 EFEDHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OCC)c1cccc(C)c1C ZINC000489631497 478261388 /nfs/dbraw/zinc/26/13/88/478261388.db2.gz HTQYMYNNIDNDHZ-INIZCTEOSA-N -1 3 339.457 2.793 20 30 EFEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489632919 478261662 /nfs/dbraw/zinc/26/16/62/478261662.db2.gz QXPMRQSVWHOGFE-UHFFFAOYSA-N -1 3 340.298 2.552 20 30 EFEDHM N#C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000579849973 478348316 /nfs/dbraw/zinc/34/83/16/478348316.db2.gz JBOZUHNRYMQMTC-CYBMUJFWSA-N -1 3 328.759 2.708 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc2c(cn1)CCC2 ZINC000570556745 478387168 /nfs/dbraw/zinc/38/71/68/478387168.db2.gz CFAIIUNNWKHFBJ-UHFFFAOYSA-N -1 3 336.395 2.731 20 30 EFEDHM Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc([O-])c3F)CC2)o1 ZINC000526009822 478401373 /nfs/dbraw/zinc/40/13/73/478401373.db2.gz KMQSWYWLYBIJGU-UHFFFAOYSA-N -1 3 344.346 2.555 20 30 EFEDHM COc1ccc(CN(C)C)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000526942884 478407825 /nfs/dbraw/zinc/40/78/25/478407825.db2.gz HQYUEPLFDCCAQH-UHFFFAOYSA-N -1 3 325.368 2.586 20 30 EFEDHM C#C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)C ZINC000490963564 478413243 /nfs/dbraw/zinc/41/32/43/478413243.db2.gz VZQLVOSMVYGDFL-LBPRGKRZSA-N -1 3 347.212 2.678 20 30 EFEDHM C#C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)C ZINC000490963563 478413663 /nfs/dbraw/zinc/41/36/63/478413663.db2.gz VZQLVOSMVYGDFL-GFCCVEGCSA-N -1 3 347.212 2.678 20 30 EFEDHM Cn1ncc2c1nc(SCCCOc1cccc(C#N)c1)[n-]c2=O ZINC000600586063 478428613 /nfs/dbraw/zinc/42/86/13/478428613.db2.gz JSQFWRCQVPHNEF-UHFFFAOYSA-N -1 3 341.396 2.502 20 30 EFEDHM C[C@H](CON=C([O-])Nc1cccc(CC#N)c1)NC(=O)OC(C)(C)C ZINC000495974952 478449817 /nfs/dbraw/zinc/44/98/17/478449817.db2.gz JJOPVEPQJJLIOF-GFCCVEGCSA-N -1 3 348.403 2.719 20 30 EFEDHM C[C@H](CO[N-]C(=O)Nc1cccc(CC#N)c1)NC(=O)OC(C)(C)C ZINC000495974952 478449826 /nfs/dbraw/zinc/44/98/26/478449826.db2.gz JJOPVEPQJJLIOF-GFCCVEGCSA-N -1 3 348.403 2.719 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)CCc1c(F)cccc1F ZINC000600669103 478459999 /nfs/dbraw/zinc/45/99/99/478459999.db2.gz ZGXJKEGYRJZMQQ-OAHLLOKOSA-N -1 3 330.400 2.755 20 30 EFEDHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](OC)C1CCCC1 ZINC000594705816 478504252 /nfs/dbraw/zinc/50/42/52/478504252.db2.gz NKWWPRDNRHJESS-INIZCTEOSA-N -1 3 337.445 2.547 20 30 EFEDHM Cc1cc(-c2ccc(C#N)cc2[O-])ccc1OCCN1CCOCC1 ZINC000600778705 478516602 /nfs/dbraw/zinc/51/66/02/478516602.db2.gz GEFHPSZJTSOTPP-UHFFFAOYSA-N -1 3 338.407 2.950 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc2c(s1)CCC2 ZINC000591330011 478524749 /nfs/dbraw/zinc/52/47/49/478524749.db2.gz BYRKPCHDIDGSLC-JTQLQIEISA-N -1 3 333.438 2.543 20 30 EFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ccc(C)nn2)cc1 ZINC000591339007 478527441 /nfs/dbraw/zinc/52/74/41/478527441.db2.gz SHEGJTFXNWNNIE-AWEZNQCLSA-N -1 3 332.385 2.621 20 30 EFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594779127 478539162 /nfs/dbraw/zinc/53/91/62/478539162.db2.gz MGAUWCBHNLZBRC-UHFFFAOYSA-N -1 3 335.385 2.634 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C)C1 ZINC000594794943 478543134 /nfs/dbraw/zinc/54/31/34/478543134.db2.gz MKPCGODJNMNKBG-CABZTGNLSA-N -1 3 336.438 2.537 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CO[C@@H](C)C1 ZINC000594794945 478543472 /nfs/dbraw/zinc/54/34/72/478543472.db2.gz MKPCGODJNMNKBG-JOYOIKCWSA-N -1 3 336.438 2.537 20 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/nfs/dbraw/zinc/70/03/46/478700346.db2.gz MMNCLHFEHGOGTE-LJQANCHMSA-N -1 3 349.434 2.653 20 30 EFEDHM N#CC(=C([O-])c1cc2c(cn1)OCCO2)c1ccc(C(F)(F)F)cn1 ZINC000564446370 478745004 /nfs/dbraw/zinc/74/50/04/478745004.db2.gz HNZMCXFOGWUHLN-SNVBAGLBSA-N -1 3 349.268 2.757 20 30 EFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CCCC1 ZINC000595364583 478748474 /nfs/dbraw/zinc/74/84/74/478748474.db2.gz HTJVXURFTWLEAT-AWEZNQCLSA-N -1 3 342.848 2.695 20 30 EFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCCC1 ZINC000595366458 478750491 /nfs/dbraw/zinc/75/04/91/478750491.db2.gz VECZOBGGJYWISE-AWEZNQCLSA-N -1 3 342.848 2.695 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000564496751 478751357 /nfs/dbraw/zinc/75/13/57/478751357.db2.gz NTLSZAVCUAVXKP-HIFRSBDPSA-N -1 3 334.347 2.671 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000572103617 478751818 /nfs/dbraw/zinc/75/18/18/478751818.db2.gz GYWXRJCUWLAKLA-LBPRGKRZSA-N -1 3 331.235 2.561 20 30 EFEDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCCCC1 ZINC000595375821 478752778 /nfs/dbraw/zinc/75/27/78/478752778.db2.gz DSRNCFYKBMURLD-OAHLLOKOSA-N -1 3 340.420 2.571 20 30 EFEDHM CC1(C)C[C@@]1([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000595409832 478764911 /nfs/dbraw/zinc/76/49/11/478764911.db2.gz JCQMTMHTYSYFBO-QGZVFWFLSA-N -1 3 327.409 2.557 20 30 EFEDHM C=CCSCC[N-]S(=O)(=O)c1cscc1Br ZINC000601321632 478786153 /nfs/dbraw/zinc/78/61/53/478786153.db2.gz QJQFORXJUCCQBP-UHFFFAOYSA-N -1 3 342.305 2.708 20 30 EFEDHM CCNc1ccc(C#N)cc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000583397103 478842784 /nfs/dbraw/zinc/84/27/84/478842784.db2.gz GYEPITVGOZYEQU-UHFFFAOYSA-N -1 3 341.367 2.965 20 30 EFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000583686515 478916469 /nfs/dbraw/zinc/91/64/69/478916469.db2.gz HDTZZSZDVCPVRM-MRVPVSSYSA-N -1 3 340.298 2.695 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCO[C@H]2c2ccccc2)CCCC1 ZINC000545356210 478928847 /nfs/dbraw/zinc/92/88/47/478928847.db2.gz OHUUQXVIMQQMOC-HOTGVXAUSA-N -1 3 334.441 2.520 20 30 EFEDHM CC1CC(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000598622980 478931576 /nfs/dbraw/zinc/93/15/76/478931576.db2.gz PXUDWKKNAOILSK-UHFFFAOYSA-N -1 3 332.347 2.901 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)c[n-]c1=O ZINC000598691562 478974480 /nfs/dbraw/zinc/97/44/80/478974480.db2.gz UXVZYDQOKFWOKP-HZPDHXFCSA-N -1 3 325.343 2.838 20 30 EFEDHM C=CCN(CC=C)[C@@H](CNC(=O)c1cccc(C(=O)[O-])c1)C(C)C ZINC000573119153 478995943 /nfs/dbraw/zinc/99/59/43/478995943.db2.gz BGFHNKGBPLRGBL-KRWDZBQOSA-N -1 3 330.428 2.813 20 30 EFEDHM CC[C@H](C#N)NC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000492620938 479010054 /nfs/dbraw/zinc/01/00/54/479010054.db2.gz UGTWTHURWXGSAB-ORAHPGNNSA-N -1 3 339.189 2.595 20 30 EFEDHM CC[C@@H](C#N)NC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000492711871 479014994 /nfs/dbraw/zinc/01/49/94/479014994.db2.gz UGTWTHURWXGSAB-YEZKRMTDSA-N -1 3 339.189 2.595 20 30 EFEDHM N#C[C@H]([N-]S(=O)(=O)CCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000546567855 479035118 /nfs/dbraw/zinc/03/51/18/479035118.db2.gz NXBDEKJTSLBBJS-ZDUSSCGKSA-N -1 3 332.347 2.990 20 30 EFEDHM COc1cc(/C=C/C(=O)Nc2nc(C)ccc2[O-])ccc1OCC#N ZINC000493165280 479037513 /nfs/dbraw/zinc/03/75/13/479037513.db2.gz WVPNNOCRVOFAIZ-VMPITWQZSA-N -1 3 339.351 2.659 20 30 EFEDHM CC(C)(C)c1csc([N-]C(=O)c2ccn3nnnc3c2)c1C#N ZINC000598837926 479049302 /nfs/dbraw/zinc/04/93/02/479049302.db2.gz JGKLKGFJVSPTRY-UHFFFAOYSA-N -1 3 326.385 2.607 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000565991930 479082791 /nfs/dbraw/zinc/08/27/91/479082791.db2.gz ANIHMEJUNOIOHF-BDAKNGLRSA-N -1 3 341.376 2.779 20 30 EFEDHM N#Cc1ccc(N2[N-]C(=O)CC3(CCCC3)C2=O)cc1C(F)(F)F ZINC000601940124 479083283 /nfs/dbraw/zinc/08/32/83/479083283.db2.gz OSOHKFCLCOQYJX-UHFFFAOYSA-N -1 3 337.301 2.905 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc([O-])cc(Br)c1 ZINC000529247723 479101210 /nfs/dbraw/zinc/10/12/10/479101210.db2.gz YDXFAHRYZWSUBD-YGRLFVJLSA-N -1 3 340.217 2.866 20 30 EFEDHM C=CC[C@H]1N(C(=O)CNC(=O)c2ccc([O-])cc2)CCCC1(C)C ZINC000567439007 479107095 /nfs/dbraw/zinc/10/70/95/479107095.db2.gz YYXRBCVEEYSPAX-MRXNPFEDSA-N -1 3 330.428 2.715 20 30 EFEDHM CC(C)(CC#N)CS(=O)(=O)[N-]Cc1ncc(-c2ccccc2)o1 ZINC000573792184 479143949 /nfs/dbraw/zinc/14/39/49/479143949.db2.gz RFTCOLFFENGLEC-UHFFFAOYSA-N -1 3 333.413 2.701 20 30 EFEDHM C=CCc1ccc(OCC(=O)N=c2cc3ccccn3[n-]2)c(OC)c1 ZINC000552999560 479153104 /nfs/dbraw/zinc/15/31/04/479153104.db2.gz MJYLZHVZAZUEMN-UHFFFAOYSA-N -1 3 337.379 2.511 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3nn(C)c4c3CCCC4)nc21 ZINC000556480361 479171143 /nfs/dbraw/zinc/17/11/43/479171143.db2.gz XSSJZFHKWQCZBG-ZDUSSCGKSA-N -1 3 333.395 2.974 20 30 EFEDHM N#Cc1[n-]c(=NCC2CCN(CC(F)(F)F)CC2)sc1Cl ZINC000596201955 479196602 /nfs/dbraw/zinc/19/66/02/479196602.db2.gz MXPYBXYEDAHARU-UHFFFAOYSA-N -1 3 338.786 2.776 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000574270515 479253469 /nfs/dbraw/zinc/25/34/69/479253469.db2.gz WVORNUMBIPIYCJ-KGLIPLIRSA-N -1 3 339.388 2.892 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](OC(C)C)C1 ZINC000593239886 479256104 /nfs/dbraw/zinc/25/61/04/479256104.db2.gz DHSHJCFHBIAWCM-OAHLLOKOSA-N -1 3 345.443 2.624 20 30 EFEDHM CC[C@H]1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@@H](CC)CO1 ZINC000593256488 479262682 /nfs/dbraw/zinc/26/26/82/479262682.db2.gz JLULSEDESWCZAV-GJZGRUSLSA-N -1 3 345.443 2.624 20 30 EFEDHM Cc1occc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000611015773 479264822 /nfs/dbraw/zinc/26/48/22/479264822.db2.gz XEHJVRSKUHDGSE-UHFFFAOYSA-N -1 3 344.314 2.957 20 30 EFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000611029026 479265455 /nfs/dbraw/zinc/26/54/55/479265455.db2.gz YGOASMGCTZMAIU-MRVPVSSYSA-N -1 3 337.264 2.790 20 30 EFEDHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000611024900 479265912 /nfs/dbraw/zinc/26/59/12/479265912.db2.gz PMMMFBPMPRNTMJ-DLBZAZTESA-N -1 3 330.384 2.706 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000611028909 479266424 /nfs/dbraw/zinc/26/64/24/479266424.db2.gz HNRZJUBYYWYPOY-QMMMGPOBSA-N -1 3 335.198 2.559 20 30 EFEDHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@]1(C#N)CC1(C)C ZINC000593281481 479273798 /nfs/dbraw/zinc/27/37/98/479273798.db2.gz SPPLBRZPEIZVIL-NSHDSACASA-N -1 3 349.275 2.790 20 30 EFEDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)nc1 ZINC000599410379 479287406 /nfs/dbraw/zinc/28/74/06/479287406.db2.gz JFWCTINREHLNKW-UHFFFAOYSA-N -1 3 347.415 2.657 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1C(F)(F)F ZINC000602388396 479307665 /nfs/dbraw/zinc/30/76/65/479307665.db2.gz RDNFRMMRUTYWIT-ZDUSSCGKSA-N -1 3 341.333 2.762 20 30 EFEDHM COc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc(OC)c1[O-] ZINC000611210618 479311432 /nfs/dbraw/zinc/31/14/32/479311432.db2.gz URUGYVSBCKYHRT-NSHDSACASA-N -1 3 326.352 2.772 20 30 EFEDHM Cc1cccc([O-])c1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000599501858 479314788 /nfs/dbraw/zinc/31/47/88/479314788.db2.gz YVGKHYHUAGPZIS-QGZVFWFLSA-N -1 3 335.407 2.551 20 30 EFEDHM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611291991 479339301 /nfs/dbraw/zinc/33/93/01/479339301.db2.gz APRWUCJIMNBRQQ-NSHDSACASA-N -1 3 335.816 2.955 20 30 EFEDHM N#CCCC[C@H](N)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000574808734 479351161 /nfs/dbraw/zinc/35/11/61/479351161.db2.gz GOJXYLSYFNHZPD-VIFPVBQESA-N -1 3 346.612 2.768 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588096203 479392464 /nfs/dbraw/zinc/39/24/64/479392464.db2.gz UTUBHVYNLHLDIA-INIZCTEOSA-N -1 3 341.791 3.000 20 30 EFEDHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000593576610 479392554 /nfs/dbraw/zinc/39/25/54/479392554.db2.gz VTAJQCGFKWJEQI-UHFFFAOYSA-N -1 3 337.264 2.647 20 30 EFEDHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC1(C#N)CCC1 ZINC000593610492 479401761 /nfs/dbraw/zinc/40/17/61/479401761.db2.gz ZYGFNYCULFVYLI-UHFFFAOYSA-N -1 3 349.275 2.791 20 30 EFEDHM CCC1(O)CCC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000611540333 479409526 /nfs/dbraw/zinc/40/95/26/479409526.db2.gz XCEZRJLQLKARHR-UHFFFAOYSA-N -1 3 342.848 2.574 20 30 EFEDHM N#CC1([N-]S(=O)(=O)Cc2cc(Cl)ccc2Br)CC1 ZINC000575802961 479477139 /nfs/dbraw/zinc/47/71/39/479477139.db2.gz VWMCTSDONJSMMV-UHFFFAOYSA-N -1 3 349.637 2.578 20 30 EFEDHM CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589187125 479492339 /nfs/dbraw/zinc/49/23/39/479492339.db2.gz YVXAGRDYADCNAY-GOSISDBHSA-N -1 3 335.407 2.610 20 30 EFEDHM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000589196566 479496259 /nfs/dbraw/zinc/49/62/59/479496259.db2.gz NUDNOVVLXZBPEZ-CVEARBPZSA-N -1 3 349.434 2.999 20 30 EFEDHM CC(C)N1CCc2nc(NC(=O)c3cc([O-])cc(C#N)c3)sc2C1 ZINC000589201126 479497771 /nfs/dbraw/zinc/49/77/71/479497771.db2.gz XIJNCSGHOUXDEK-UHFFFAOYSA-N -1 3 342.424 2.739 20 30 EFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000618606599 479512986 /nfs/dbraw/zinc/51/29/86/479512986.db2.gz RRVSMEIPDSUAQF-ZDUSSCGKSA-N -1 3 345.262 2.807 20 30 EFEDHM N#Cc1cccc(C(=O)[N-]c2nnc(Cc3cccc(F)c3)s2)n1 ZINC000589400060 479520943 /nfs/dbraw/zinc/52/09/43/479520943.db2.gz ABYINLNHJBSGNZ-UHFFFAOYSA-N -1 3 339.355 2.787 20 30 EFEDHM COc1ccccc1-c1cc(=NC(=O)CCc2ccc(C#N)cc2)[nH][n-]1 ZINC000604498935 479528505 /nfs/dbraw/zinc/52/85/05/479528505.db2.gz XBJWFRLZXGIYPJ-UHFFFAOYSA-N -1 3 346.390 2.950 20 30 EFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(C)(C)CC(F)(F)F ZINC000614856977 479530061 /nfs/dbraw/zinc/53/00/61/479530061.db2.gz UVRWPQQSHUDNDN-UHFFFAOYSA-N -1 3 336.335 2.576 20 30 EFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)CC2(CC#N)CC2)C2CC2)s1 ZINC000576076519 479532616 /nfs/dbraw/zinc/53/26/16/479532616.db2.gz WYVCPEVSJUBSCG-LBPRGKRZSA-N -1 3 325.459 2.516 20 30 EFEDHM CCn1c(SCc2c(C#N)c(C)nn2-c2ccccc2)n[n-]c1=O ZINC000604537395 479535608 /nfs/dbraw/zinc/53/56/08/479535608.db2.gz RGZXSEQJFHILQO-UHFFFAOYSA-N -1 3 340.412 2.662 20 30 EFEDHM C[C@]([N-]S(=O)(=O)c1cccc(CC#N)c1)(C1CC1)C(F)(F)F ZINC000589591522 479541859 /nfs/dbraw/zinc/54/18/59/479541859.db2.gz WLCXOLVQXXPJSW-ZDUSSCGKSA-N -1 3 332.347 2.762 20 30 EFEDHM CCC[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)OCC ZINC000600173966 479561699 /nfs/dbraw/zinc/56/16/99/479561699.db2.gz ICMAIWCIGCBKIS-CQSZACIVSA-N -1 3 333.432 2.530 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cccc(F)c1F ZINC000618716290 479563297 /nfs/dbraw/zinc/56/32/97/479563297.db2.gz OMTRAOVKJZMLSF-CQSZACIVSA-N -1 3 334.347 2.802 20 30 EFEDHM Cc1cccc(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)c1F ZINC000618716944 479563517 /nfs/dbraw/zinc/56/35/17/479563517.db2.gz UIRHKCNVLUWOGZ-HNNXBMFYSA-N -1 3 330.384 2.972 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)c(F)c1 ZINC000618716112 479563656 /nfs/dbraw/zinc/56/36/56/479563656.db2.gz GTEWEFXHABCENZ-MRXNPFEDSA-N -1 3 330.384 2.972 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576476608 479580099 /nfs/dbraw/zinc/58/00/99/479580099.db2.gz LOVQHKIDNZWLLM-RDJZCZTQSA-N -1 3 348.406 2.972 20 30 EFEDHM C[C@H]1[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)CCN1Cc1ccccc1 ZINC000589941631 479583376 /nfs/dbraw/zinc/58/33/76/479583376.db2.gz ZFPKRFGMJAYRKL-LIRRHRJNSA-N -1 3 335.407 2.657 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1ccc([O-])c(F)c1 ZINC000618816363 479603904 /nfs/dbraw/zinc/60/39/04/479603904.db2.gz QBKXLOAVYOGHJF-MRXNPFEDSA-N -1 3 325.343 2.890 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1ccc([O-])c(F)c1 ZINC000618816362 479604593 /nfs/dbraw/zinc/60/45/93/479604593.db2.gz QBKXLOAVYOGHJF-INIZCTEOSA-N -1 3 325.343 2.890 20 30 EFEDHM Cc1cnc2c(c1)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2 ZINC000590610646 479669721 /nfs/dbraw/zinc/66/97/21/479669721.db2.gz QAEDLDFNFCIFFG-UHFFFAOYSA-N -1 3 336.395 2.501 20 30 EFEDHM CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000615428929 479672784 /nfs/dbraw/zinc/67/27/84/479672784.db2.gz FUNSMOICVBGOIV-SFHVURJKSA-N -1 3 335.407 2.610 20 30 EFEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000619482148 479807822 /nfs/dbraw/zinc/80/78/22/479807822.db2.gz VALUKVQCLDWEEV-UHFFFAOYSA-N -1 3 349.481 2.985 20 30 EFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cccc(CC#N)c2)C2CC2)s1 ZINC000619486865 479808516 /nfs/dbraw/zinc/80/85/16/479808516.db2.gz DXZNVNSVHGLQQA-HNNXBMFYSA-N -1 3 347.465 2.947 20 30 EFEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2cccc(CC#N)c2)C2CC2)n1 ZINC000619486897 479809604 /nfs/dbraw/zinc/80/96/04/479809604.db2.gz IDYSQVGOZBHYEZ-HNNXBMFYSA-N -1 3 347.465 2.947 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000616030136 479812255 /nfs/dbraw/zinc/81/22/55/479812255.db2.gz MIQXYBUALWZJFJ-UHFFFAOYSA-N -1 3 335.407 2.612 20 30 EFEDHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610081794 480234724 /nfs/dbraw/zinc/23/47/24/480234724.db2.gz ZDTWVNSLTQEKON-CYBMUJFWSA-N -1 3 332.400 2.997 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000614293435 480257077 /nfs/dbraw/zinc/25/70/77/480257077.db2.gz QDYITGAPEDXMBJ-KRWDZBQOSA-N -1 3 339.395 2.814 20 30 EFEDHM Cc1ccccc1CN1CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614296694 480258183 /nfs/dbraw/zinc/25/81/83/480258183.db2.gz MLPRLGDXLCFINP-UHFFFAOYSA-N -1 3 349.434 2.967 20 30 EFEDHM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610265546 480266294 /nfs/dbraw/zinc/26/62/94/480266294.db2.gz SMFVXVYMCZRDRW-DLBZAZTESA-N -1 3 330.384 2.706 20 30 EFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000610338859 480283123 /nfs/dbraw/zinc/28/31/23/480283123.db2.gz WJNLPKLKEQWEJK-LBPRGKRZSA-N -1 3 345.380 2.814 20 30 EFEDHM C=CCC1(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCOCC1 ZINC000618249062 480586551 /nfs/dbraw/zinc/58/65/51/480586551.db2.gz DVDGVMVRMBIUIA-UHFFFAOYSA-N -1 3 348.349 2.661 20 30 EFEDHM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3nnc4n3CCCCC4)n21 ZINC000651268187 481669701 /nfs/dbraw/zinc/66/97/01/481669701.db2.gz AAVLQWMMTVHHBK-QWHCGFSZSA-N -1 3 338.415 2.588 20 30 EFEDHM N#CC(=C([O-])c1cn(-c2ccccc2)cn1)c1nnc2n1CCCCC2 ZINC000651269170 481670932 /nfs/dbraw/zinc/67/09/32/481670932.db2.gz ZGABFLSKEFTXKG-HNNXBMFYSA-N -1 3 346.394 2.680 20 30 EFEDHM C=CCN1CCC(NC(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000654747620 482035172 /nfs/dbraw/zinc/03/51/72/482035172.db2.gz JGGWICLARXBXBG-UHFFFAOYSA-N -1 3 328.334 2.791 20 30 EFEDHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCCC#N)cc1Cl ZINC000170940571 533943187 /nfs/dbraw/zinc/94/31/87/533943187.db2.gz KKGAELDZWTXTSQ-UHFFFAOYSA-N -1 3 337.228 2.974 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000435598453 534353025 /nfs/dbraw/zinc/35/30/25/534353025.db2.gz RMVWKGCQOVEYKA-IAQYHMDHSA-N -1 3 345.848 2.608 20 30 EFEDHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000154989183 519822442 /nfs/dbraw/zinc/82/24/42/519822442.db2.gz BNVWLNSKPGJLDV-AWEZNQCLSA-N -1 3 344.864 2.533 20 30 EFEDHM N#CC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCC1 ZINC000158063144 534545549 /nfs/dbraw/zinc/54/55/49/534545549.db2.gz FZDNYDGGHYELAR-HNNXBMFYSA-N -1 3 347.846 2.820 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 ZINC000294450213 534577656 /nfs/dbraw/zinc/57/76/56/534577656.db2.gz GWWMPOPVCAAJSO-JSGCOSHPSA-N -1 3 344.308 2.564 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1c(C)noc1C ZINC000119363617 522683447 /nfs/dbraw/zinc/68/34/47/522683447.db2.gz GNMOLQVJWHAXNP-AWEZNQCLSA-N -1 3 333.413 2.901 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1c(C)noc1C ZINC000119363734 522905174 /nfs/dbraw/zinc/90/51/74/522905174.db2.gz GNMOLQVJWHAXNP-CQSZACIVSA-N -1 3 333.413 2.901 20 30 EFEDHM COCCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCC1 ZINC000180146474 523061781 /nfs/dbraw/zinc/06/17/81/523061781.db2.gz MEGUZVWBFYOWBZ-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000120959597 523951159 /nfs/dbraw/zinc/95/11/59/523951159.db2.gz COCUTIKVAWZCHY-QGZVFWFLSA-N -1 3 348.399 2.504 20 30 EFEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C#N)c(C)n3)cc2)n1 ZINC000195488892 526117683 /nfs/dbraw/zinc/11/76/83/526117683.db2.gz RJDBVOAHLXYBDY-UHFFFAOYSA-N -1 3 345.362 2.573 20 30 EFEDHM C=CCNC(=O)[C@H](C)N(CC)Cc1cc(Br)ccc1[O-] ZINC000174424948 526630403 /nfs/dbraw/zinc/63/04/03/526630403.db2.gz SBEQEFXCYWTFJQ-NSHDSACASA-N -1 3 341.249 2.667 20 30 EFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000173742670 526638633 /nfs/dbraw/zinc/63/86/33/526638633.db2.gz ARFNYWIKKINSHX-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM C=CCSCC[N-]S(=O)(=O)c1cc(C(C)=O)ccc1Cl ZINC000177846641 527005570 /nfs/dbraw/zinc/00/55/70/527005570.db2.gz OSZLWLAJZVIMKB-UHFFFAOYSA-N -1 3 333.862 2.740 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000175292293 527031586 /nfs/dbraw/zinc/03/15/86/527031586.db2.gz ODIGZSXUALUQLU-SECBINFHSA-N -1 3 334.235 2.701 20 30 EFEDHM CCCN(CC#N)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000171632377 527879740 /nfs/dbraw/zinc/87/97/40/527879740.db2.gz LPMXWBHROVFUIE-UHFFFAOYSA-N -1 3 328.397 2.980 20 30 EFEDHM CC(C)OCCS(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000176464504 527994679 /nfs/dbraw/zinc/99/46/79/527994679.db2.gz UDONSSRSAFKVNS-UHFFFAOYSA-N -1 3 326.418 2.536 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000176339215 528746024 /nfs/dbraw/zinc/74/60/24/528746024.db2.gz QJJXCLKMNPUVBC-UHFFFAOYSA-N -1 3 342.399 2.754 20 30 EFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000160853134 529269769 /nfs/dbraw/zinc/26/97/69/529269769.db2.gz LEBAKDYVQPXPLB-QMMMGPOBSA-N -1 3 337.626 2.683 20 30 EFEDHM CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccccc2[O-])C1=O ZINC000298064736 534989790 /nfs/dbraw/zinc/98/97/90/534989790.db2.gz BUYKSURFLQNZNY-GOSISDBHSA-N -1 3 347.415 2.708 20 30 EFEDHM CN(CCCC[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435430148 536339048 /nfs/dbraw/zinc/33/90/48/536339048.db2.gz YQUFRSRRAYVXOW-UHFFFAOYSA-N -1 3 349.481 2.815 20 30 EFEDHM COc1ccc(-c2nc(C(=O)[N-]c3ccncc3C#N)cs2)cc1 ZINC000358614172 536509291 /nfs/dbraw/zinc/50/92/91/536509291.db2.gz ARHILXNHTQXNNB-UHFFFAOYSA-N -1 3 336.376 2.760 20 30 EFEDHM COc1cc(C(=O)[N-]c2sccc2C#N)cc([N+](=O)[O-])c1OC ZINC000356579180 536540484 /nfs/dbraw/zinc/54/04/84/536540484.db2.gz FKNWJQPAAFWDMX-UHFFFAOYSA-N -1 3 333.325 2.797 20 30 EFEDHM CO[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000358890181 536640346 /nfs/dbraw/zinc/64/03/46/536640346.db2.gz WTBHCNAOSLWAQJ-MRXNPFEDSA-N -1 3 336.457 2.768 20 30 EFEDHM C=CCC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000657077582 547025688 /nfs/dbraw/zinc/02/56/88/547025688.db2.gz UVCMKIUMFYIDKQ-NSHDSACASA-N -1 3 333.837 2.608 20 30 EFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000675035704 548197185 /nfs/dbraw/zinc/19/71/85/548197185.db2.gz QSIRZDJXBKBNCT-VIFPVBQESA-N -1 3 334.235 2.701 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1nc(-c2ccccc2C)no1 ZINC000675296693 548249740 /nfs/dbraw/zinc/24/97/40/548249740.db2.gz PCJMXDBTOJITIJ-UHFFFAOYSA-N -1 3 329.385 2.820 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000678845295 549001778 /nfs/dbraw/zinc/00/17/78/549001778.db2.gz JYGCBEWXCNEVLO-VXGBXAGGSA-N -1 3 344.502 2.968 20 30 EFEDHM C=CCCCC[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000681156372 549474713 /nfs/dbraw/zinc/47/47/13/549474713.db2.gz AYBLTOJSOYMQSE-NSHDSACASA-N -1 3 330.475 2.580 20 30 EFEDHM O=C1[N-][C@@H](CC(F)(F)F)C(=O)N1Cc1c(F)c(F)cc(F)c1F ZINC000683327196 549883648 /nfs/dbraw/zinc/88/36/48/549883648.db2.gz CCBFEIBKYVKHLS-ZETCQYMHSA-N -1 3 344.186 2.616 20 30 EFEDHM Cc1ccc(F)c(NC(=S)NN=C2C(=O)[N-]c3c2cccc3F)c1 ZINC000753958952 575366608 /nfs/dbraw/zinc/36/66/08/575366608.db2.gz BZMSPRHPBSBWIX-UHFFFAOYSA-N -1 3 346.362 2.916 20 30 EFEDHM C=CCn1c(SCc2nc(C)cc(=O)[n-]2)nc2sccc2c1=O ZINC000754452632 575437612 /nfs/dbraw/zinc/43/76/12/575437612.db2.gz VCDXQILQMXJAFU-UHFFFAOYSA-N -1 3 346.437 2.740 20 30 EFEDHM C=CCn1c(SCc2nc(C)cc(=O)[n-]2)nc2ccccc2c1=O ZINC000754459238 575438478 /nfs/dbraw/zinc/43/84/78/575438478.db2.gz YRANWPDLZICOFI-UHFFFAOYSA-N -1 3 340.408 2.679 20 30 EFEDHM C=CCc1cc(OC)cc(CN2CCO[C@H](C(F)(F)F)C2)c1[O-] ZINC000754740932 575481281 /nfs/dbraw/zinc/48/12/81/575481281.db2.gz JSGFCFRGKDDERZ-AWEZNQCLSA-N -1 3 331.334 2.892 20 30 EFEDHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2ccc(Cl)c(C#N)c2)on1 ZINC000754906463 575512164 /nfs/dbraw/zinc/51/21/64/575512164.db2.gz RTQKDMNAUYTPDX-VIFPVBQESA-N -1 3 333.731 2.692 20 30 EFEDHM C=CCN(C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-])C(C)C ZINC000755245582 575564919 /nfs/dbraw/zinc/56/49/19/575564919.db2.gz OZDATVDGQCUBSK-UHFFFAOYSA-N -1 3 343.383 2.978 20 30 EFEDHM C=C(C)[C@@H](CC(=O)OCC(=O)[N-]c1cc(C(C)(C)C)no1)OCC ZINC000756477038 575745721 /nfs/dbraw/zinc/74/57/21/575745721.db2.gz MUZVNOBEBYMIQT-GFCCVEGCSA-N -1 3 338.404 2.825 20 30 EFEDHM COc1cccc([O-])c1/C=N/[C@H]1CCN(c2ccccc2OC)C1=O ZINC000756773379 575785762 /nfs/dbraw/zinc/78/57/62/575785762.db2.gz AANYMJHSABLBNG-PVGUKEHMSA-N -1 3 340.379 2.634 20 30 EFEDHM C#CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000756975066 575806956 /nfs/dbraw/zinc/80/69/56/575806956.db2.gz JWPFXNNGXKJVCJ-HNNXBMFYSA-N -1 3 348.355 2.777 20 30 EFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000756975943 575807222 /nfs/dbraw/zinc/80/72/22/575807222.db2.gz QSOYWSNWMSFEIM-MRXNPFEDSA-N -1 3 328.368 2.740 20 30 EFEDHM Cc1cc(CN=Nc2nc3ccccc3c(=O)[n-]2)ccc1-n1cncn1 ZINC000757584072 575843368 /nfs/dbraw/zinc/84/33/68/575843368.db2.gz KMAWCWRGNDTCOG-UHFFFAOYSA-N -1 3 345.366 2.671 20 30 EFEDHM Cc1ccc(F)c2c1C(=NNc1nc3ccccc3c(=O)[nH]1)C(=O)[N-]2 ZINC000757588693 575843594 /nfs/dbraw/zinc/84/35/94/575843594.db2.gz GOQUYJRZPQTCSX-UHFFFAOYSA-N -1 3 337.314 2.551 20 30 EFEDHM [O-]c1c(O)ccc(/C=N\CCCc2ccc3c(c2)OCCO3)c1O ZINC000758360727 575867734 /nfs/dbraw/zinc/86/77/34/575867734.db2.gz ZXRADBWMKPRXDU-ODLFYWEKSA-N -1 3 329.352 2.626 20 30 EFEDHM CC(C)(C)c1cc([N-]C(=O)COC(=O)c2ccc(CC#N)cc2)on1 ZINC000758678291 575875461 /nfs/dbraw/zinc/87/54/61/575875461.db2.gz GBZXLULELGPZHE-UHFFFAOYSA-N -1 3 341.367 2.834 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCC#Cc2ccccc2)cc1 ZINC000759382900 575890592 /nfs/dbraw/zinc/89/05/92/575890592.db2.gz AMOWFUBCFBLGLU-UHFFFAOYSA-N -1 3 343.404 2.657 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc3nccnc3c2)cc1 ZINC000760183440 575987970 /nfs/dbraw/zinc/98/79/70/575987970.db2.gz LOZBDMAWIMEEAE-HNNXBMFYSA-N -1 3 345.362 2.548 20 30 EFEDHM N#CC(=C([O-])c1cc(Cl)nc(N2CCCC2)c1)c1ccncn1 ZINC000760337723 576007699 /nfs/dbraw/zinc/00/76/99/576007699.db2.gz AZNQYBSFQJABKU-LBPRGKRZSA-N -1 3 327.775 2.615 20 30 EFEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cncnc1 ZINC000761098080 576113395 /nfs/dbraw/zinc/11/33/95/576113395.db2.gz FPMZXXRFHFLPOV-LBPRGKRZSA-N -1 3 348.334 2.752 20 30 EFEDHM CN(C)c1ccc2c(c1)NC(=O)C2=N[N-]c1ncnc2ccsc21 ZINC000761827534 576216026 /nfs/dbraw/zinc/21/60/26/576216026.db2.gz IGFFFIDTYGADEW-UHFFFAOYSA-N -1 3 338.396 2.526 20 30 EFEDHM C=CCn1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1ccncc1 ZINC000761862220 576221957 /nfs/dbraw/zinc/22/19/57/576221957.db2.gz QYTXLASBROZSCJ-UHFFFAOYSA-N -1 3 340.412 2.622 20 30 EFEDHM CCOc1cc(C=NNc2cnn(C)c2)cc(Br)c1[O-] ZINC000761867283 576223051 /nfs/dbraw/zinc/22/30/51/576223051.db2.gz PPUYZNFFERQSOF-UHFFFAOYSA-N -1 3 339.193 2.733 20 30 EFEDHM COc1cc(C(=O)Nc2ccccc2O[C@H](C)C#N)cc(OC)c1[O-] ZINC000762663136 576322362 /nfs/dbraw/zinc/32/23/62/576322362.db2.gz VZUFNEMLNSPCNF-LLVKDONJSA-N -1 3 342.351 2.953 20 30 EFEDHM CCOc1ccc(/C=N\[C@@H]2CCCC[C@@H]2N2CCOCC2)c([O-])c1 ZINC000763098750 576361487 /nfs/dbraw/zinc/36/14/87/576361487.db2.gz YWQXFUQNRSKQMN-LDQQFAMPSA-N -1 3 332.444 2.853 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccnc(N(C)C)c2)cc1 ZINC000763273953 576370571 /nfs/dbraw/zinc/37/05/71/576370571.db2.gz DQSUFFAJBHUZKM-INIZCTEOSA-N -1 3 336.395 2.671 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1c[nH]c2cccc(F)c12 ZINC000763355322 576373878 /nfs/dbraw/zinc/37/38/78/576373878.db2.gz CJZHEAJRGUTIFA-UHFFFAOYSA-N -1 3 331.372 2.761 20 30 EFEDHM CCc1ncncc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000764303686 576446939 /nfs/dbraw/zinc/44/69/39/576446939.db2.gz ZYVSKAMSYLPZAP-UHFFFAOYSA-N -1 3 331.719 2.725 20 30 EFEDHM O=c1[n-]c(N=NC2CCN(c3nccs3)CC2)nc2ccccc12 ZINC000764696649 576489878 /nfs/dbraw/zinc/48/98/78/576489878.db2.gz OTZJTRHRFXBUNO-UHFFFAOYSA-N -1 3 340.412 2.860 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCO[C@H](c3ccccc3)C2)c1[O-] ZINC000764888596 576518080 /nfs/dbraw/zinc/51/80/80/576518080.db2.gz NBOCPQFHQNVMGF-AWQMZRMQSA-N -1 3 326.396 2.927 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2[nH]ccc2c1 ZINC000765917052 577087008 /nfs/dbraw/zinc/08/70/08/577087008.db2.gz WSXOVUZSXUCCPQ-PKYBCLHXSA-N -1 3 330.347 2.924 20 30 EFEDHM C#CCCCSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1 ZINC000766294666 577132139 /nfs/dbraw/zinc/13/21/39/577132139.db2.gz LQJDETVLTMGXLA-UHFFFAOYSA-N -1 3 342.424 2.610 20 30 EFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000766504451 577159274 /nfs/dbraw/zinc/15/92/74/577159274.db2.gz GPWPORIFDISGOD-LBPRGKRZSA-N -1 3 346.865 2.656 20 30 EFEDHM Cc1nc(CCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000767547954 577213048 /nfs/dbraw/zinc/21/30/48/577213048.db2.gz KDKJDFMAVFPISW-UHFFFAOYSA-N -1 3 345.424 2.759 20 30 EFEDHM COc1ccc(NN=C2C(=O)[N-]c3c2cccc3F)c([N+](=O)[O-])c1 ZINC000767795927 577234570 /nfs/dbraw/zinc/23/45/70/577234570.db2.gz FRPKYZZFNVJNPO-UHFFFAOYSA-N -1 3 330.275 2.511 20 30 EFEDHM Cc1cc(NCc2cc(=O)oc3c(C)c([O-])ccc23)nn1CCC#N ZINC000767989402 577247796 /nfs/dbraw/zinc/24/77/96/577247796.db2.gz IWMYBWAKLAKVGK-UHFFFAOYSA-N -1 3 338.367 2.838 20 30 EFEDHM COc1cccc([O-])c1CN1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000768137748 577257098 /nfs/dbraw/zinc/25/70/98/577257098.db2.gz NVZMVWRPWKJYBA-KRWDZBQOSA-N -1 3 337.423 2.611 20 30 EFEDHM CC(=NNC(=S)NCCc1ccccn1)c1cc(Cl)ccc1[O-] ZINC000726422750 577364307 /nfs/dbraw/zinc/36/43/07/577364307.db2.gz DIJICYVULDQBAL-UHFFFAOYSA-N -1 3 348.859 2.871 20 30 EFEDHM CCOc1cc(C=NN2CCCC2=O)cc(Br)c1[O-] ZINC000769593492 577373828 /nfs/dbraw/zinc/37/38/28/577373828.db2.gz NDLOJXVTWXIYGJ-UHFFFAOYSA-N -1 3 327.178 2.510 20 30 EFEDHM CCSc1cccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC000769780493 577384718 /nfs/dbraw/zinc/38/47/18/577384718.db2.gz WZADIYDTFVNDNZ-UHFFFAOYSA-N -1 3 328.401 2.627 20 30 EFEDHM Cn1ncc2c1nc(N=NCc1ccc(C(F)(F)F)cc1)[n-]c2=O ZINC000769809673 577386998 /nfs/dbraw/zinc/38/69/98/577386998.db2.gz ZGDJCZAIXZGUIH-UHFFFAOYSA-N -1 3 336.277 2.534 20 30 EFEDHM Cn1ncc2c1nc(N=NCc1cccc(-c3cccnc3)c1)[n-]c2=O ZINC000769816291 577387481 /nfs/dbraw/zinc/38/74/81/577387481.db2.gz DRXUBCQGYHQIBI-UHFFFAOYSA-N -1 3 345.366 2.577 20 30 EFEDHM COc1cc(C=NNCC(F)(F)F)cc(Br)c1[O-] ZINC000769825337 577388145 /nfs/dbraw/zinc/38/81/45/577388145.db2.gz RASANQXQOLYIIL-UHFFFAOYSA-N -1 3 327.100 2.649 20 30 EFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000770363741 577413020 /nfs/dbraw/zinc/41/30/20/577413020.db2.gz GMGWOTKNUNESDF-SNVBAGLBSA-N -1 3 326.780 2.717 20 30 EFEDHM COc1cccc([O-])c1/C=N/[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000770569757 581111534 /nfs/dbraw/zinc/11/15/34/581111534.db2.gz YEUDTLLDWHJQTQ-CPOBKIPGSA-N -1 3 346.333 2.903 20 30 EFEDHM C=CCNc1ncc(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])s1 ZINC000771016937 581163534 /nfs/dbraw/zinc/16/35/34/581163534.db2.gz QYGUEXCTTKSGPJ-UHFFFAOYSA-N -1 3 347.396 2.876 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cscc1Cl ZINC000771878666 581253944 /nfs/dbraw/zinc/25/39/44/581253944.db2.gz LDIRPIYKJNKMEF-UHFFFAOYSA-N -1 3 328.846 2.898 20 30 EFEDHM Cc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cn1 ZINC000772670806 581354007 /nfs/dbraw/zinc/35/40/07/581354007.db2.gz UIYKJUIHQXNUIJ-UHFFFAOYSA-N -1 3 325.368 2.655 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)[C@H]1CCCO1 ZINC000773059321 581391891 /nfs/dbraw/zinc/39/18/91/581391891.db2.gz WEOAGKPHHZMVKT-NWDGAFQWSA-N -1 3 348.251 2.761 20 30 EFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNCc1cccc(Cl)c1 ZINC000774389446 581490695 /nfs/dbraw/zinc/49/06/95/581490695.db2.gz WJWSDOGNMHLJIC-UHFFFAOYSA-N -1 3 348.721 2.833 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCNc2ccccc21 ZINC000774392761 581490766 /nfs/dbraw/zinc/49/07/66/581490766.db2.gz HZSRDIDEHQDCDB-UHFFFAOYSA-N -1 3 343.452 2.759 20 30 EFEDHM COc1c([O-])c(CN(C)Cc2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000774836542 581501988 /nfs/dbraw/zinc/50/19/88/581501988.db2.gz SNBNKPRPJGWGLN-UHFFFAOYSA-N -1 3 327.340 2.813 20 30 EFEDHM Cc1cn2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2n1 ZINC000598470838 581505527 /nfs/dbraw/zinc/50/55/27/581505527.db2.gz YRRXXUVYHNYCTA-UHFFFAOYSA-N -1 3 349.394 2.803 20 30 EFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccccc2n1 ZINC000819718773 607252366 /nfs/dbraw/zinc/25/23/66/607252366.db2.gz PNJGIWVGEWMQTN-UHFFFAOYSA-N -1 3 329.367 2.539 20 30 EFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccccc2n1 ZINC000819718773 607252367 /nfs/dbraw/zinc/25/23/67/607252367.db2.gz PNJGIWVGEWMQTN-UHFFFAOYSA-N -1 3 329.367 2.539 20 30 EFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(F)c1 ZINC000819772746 607252402 /nfs/dbraw/zinc/25/24/02/607252402.db2.gz KXWNUQAVSJCXLP-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)c(F)c1 ZINC000819772746 607252403 /nfs/dbraw/zinc/25/24/03/607252403.db2.gz KXWNUQAVSJCXLP-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM C[C@H](C#N)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735505118 598894030 /nfs/dbraw/zinc/89/40/30/598894030.db2.gz SIOYXHSDOFCTGH-GFCCVEGCSA-N -1 3 348.366 2.544 20 30 EFEDHM C[C@H](C#N)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735505118 598894031 /nfs/dbraw/zinc/89/40/31/598894031.db2.gz SIOYXHSDOFCTGH-GFCCVEGCSA-N -1 3 348.366 2.544 20 30 EFEDHM N#Cc1cc(NC(=O)c2c(F)cccc2Cl)ccc1-c1nnn[n-]1 ZINC000737709795 598915701 /nfs/dbraw/zinc/91/57/01/598915701.db2.gz QOSMUQQEGMIHGM-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)c2c(F)cccc2Cl)ccc1-c1nn[n-]n1 ZINC000737709795 598915702 /nfs/dbraw/zinc/91/57/02/598915702.db2.gz QOSMUQQEGMIHGM-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1-c1nnn[n-]1 ZINC000737704364 598927077 /nfs/dbraw/zinc/92/70/77/598927077.db2.gz HPCCALZFOYUDPA-UHFFFAOYSA-N -1 3 348.410 2.893 20 30 EFEDHM N#Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1-c1nn[n-]n1 ZINC000737704364 598927080 /nfs/dbraw/zinc/92/70/80/598927080.db2.gz HPCCALZFOYUDPA-UHFFFAOYSA-N -1 3 348.410 2.893 20 30 EFEDHM CCC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1ccc([O-])c(F)c1 ZINC000820833243 607254240 /nfs/dbraw/zinc/25/42/40/607254240.db2.gz UXEWNMPJEZQCGA-UHFFFAOYSA-N -1 3 340.362 2.615 20 30 EFEDHM C=CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735410235 599101401 /nfs/dbraw/zinc/10/14/01/599101401.db2.gz XYQOCBGVZKIKJZ-HNNXBMFYSA-N -1 3 335.371 2.701 20 30 EFEDHM C=CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735410235 599101403 /nfs/dbraw/zinc/10/14/03/599101403.db2.gz XYQOCBGVZKIKJZ-HNNXBMFYSA-N -1 3 335.371 2.701 20 30 EFEDHM C=CCOCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819751498 599146127 /nfs/dbraw/zinc/14/61/27/599146127.db2.gz WFNOGUOBITXIPO-UHFFFAOYSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCOCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819751498 599146130 /nfs/dbraw/zinc/14/61/30/599146130.db2.gz WFNOGUOBITXIPO-UHFFFAOYSA-N -1 3 343.431 2.587 20 30 EFEDHM COc1ccc(C=C2COc3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000737084825 599154102 /nfs/dbraw/zinc/15/41/02/599154102.db2.gz WONIJHVKFVCDPS-XYOKQWHBSA-N -1 3 334.335 2.534 20 30 EFEDHM COc1ccc(C=C2COc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000737084825 599154104 /nfs/dbraw/zinc/15/41/04/599154104.db2.gz WONIJHVKFVCDPS-XYOKQWHBSA-N -1 3 334.335 2.534 20 30 EFEDHM COc1ccc(C=C2COc3c(C)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737081048 599155543 /nfs/dbraw/zinc/15/55/43/599155543.db2.gz AUYRRROCEGSKOG-MDWZMJQESA-N -1 3 348.362 2.842 20 30 EFEDHM COc1ccc(C=C2COc3c(C)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737081048 599155545 /nfs/dbraw/zinc/15/55/45/599155545.db2.gz AUYRRROCEGSKOG-MDWZMJQESA-N -1 3 348.362 2.842 20 30 EFEDHM COc1ccc(C=CC(=O)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000737081983 599156157 /nfs/dbraw/zinc/15/61/57/599156157.db2.gz SOYZSKYJUJNFLZ-FNORWQNLSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(C=CC(=O)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000737081983 599156159 /nfs/dbraw/zinc/15/61/59/599156159.db2.gz SOYZSKYJUJNFLZ-FNORWQNLSA-N -1 3 331.335 2.643 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1-c1nnn[n-]1 ZINC000737719578 599195963 /nfs/dbraw/zinc/19/59/63/599195963.db2.gz SNBUASUFISUIOE-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc3cc(F)ccc3o2)cc1-c1nn[n-]n1 ZINC000737719578 599195965 /nfs/dbraw/zinc/19/59/65/599195965.db2.gz SNBUASUFISUIOE-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM CCOc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1C ZINC000736626858 599197048 /nfs/dbraw/zinc/19/70/48/599197048.db2.gz MAJAWDUGNJFYMR-UHFFFAOYSA-N -1 3 348.366 2.698 20 30 EFEDHM CCOc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1C ZINC000736626858 599197051 /nfs/dbraw/zinc/19/70/51/599197051.db2.gz MAJAWDUGNJFYMR-UHFFFAOYSA-N -1 3 348.366 2.698 20 30 EFEDHM N#Cc1cc(NC(=O)c2cncc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737710116 599200634 /nfs/dbraw/zinc/20/06/34/599200634.db2.gz REGARANUFSABSJ-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(NC(=O)c2cncc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737710116 599200636 /nfs/dbraw/zinc/20/06/36/599200636.db2.gz REGARANUFSABSJ-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822016101 607268790 /nfs/dbraw/zinc/26/87/90/607268790.db2.gz VFZZAOQPVOTYLA-KTKRTIGZSA-N -1 3 330.351 2.699 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822016101 607268791 /nfs/dbraw/zinc/26/87/91/607268791.db2.gz VFZZAOQPVOTYLA-KTKRTIGZSA-N -1 3 330.351 2.699 20 30 EFEDHM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817733516 597085518 /nfs/dbraw/zinc/08/55/18/597085518.db2.gz DTYVJMGJABGKQP-JKSUJKDBSA-N -1 3 343.427 2.508 20 30 EFEDHM CCCCCCCCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000736448299 599296602 /nfs/dbraw/zinc/29/66/02/599296602.db2.gz LLEHGAHSQAZAHY-UHFFFAOYSA-N -1 3 349.464 2.858 20 30 EFEDHM CCCCCCCCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000736448299 599296603 /nfs/dbraw/zinc/29/66/03/599296603.db2.gz LLEHGAHSQAZAHY-UHFFFAOYSA-N -1 3 349.464 2.858 20 30 EFEDHM C[C@H](NC(=O)Nc1sccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736117498 598332683 /nfs/dbraw/zinc/33/26/83/598332683.db2.gz PREAJIYDLUYETK-VIFPVBQESA-N -1 3 339.384 2.683 20 30 EFEDHM C[C@H](NC(=O)Nc1sccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736117498 598332685 /nfs/dbraw/zinc/33/26/85/598332685.db2.gz PREAJIYDLUYETK-VIFPVBQESA-N -1 3 339.384 2.683 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000735438292 598585712 /nfs/dbraw/zinc/58/57/12/598585712.db2.gz ZQZAXIIYKZZXNB-UHFFFAOYSA-N -1 3 339.330 2.823 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000735438292 598585714 /nfs/dbraw/zinc/58/57/14/598585714.db2.gz ZQZAXIIYKZZXNB-UHFFFAOYSA-N -1 3 339.330 2.823 20 30 EFEDHM C=CCN(CC=C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735419574 598647570 /nfs/dbraw/zinc/64/75/70/598647570.db2.gz WEYRHBLHOLXVKN-UHFFFAOYSA-N -1 3 341.415 2.616 20 30 EFEDHM C=CCN(CC=C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735419574 598647572 /nfs/dbraw/zinc/64/75/72/598647572.db2.gz WEYRHBLHOLXVKN-UHFFFAOYSA-N -1 3 341.415 2.616 20 30 EFEDHM C=CCOc1ccccc1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000735436917 598677740 /nfs/dbraw/zinc/67/77/40/598677740.db2.gz UEFGCTSXTFMXLS-UHFFFAOYSA-N -1 3 348.410 2.927 20 30 EFEDHM C=CCOc1ccccc1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000735436917 598677742 /nfs/dbraw/zinc/67/77/42/598677742.db2.gz UEFGCTSXTFMXLS-UHFFFAOYSA-N -1 3 348.410 2.927 20 30 EFEDHM C=CCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccccc1 ZINC000819733704 607379748 /nfs/dbraw/zinc/37/97/48/607379748.db2.gz AMHVRILEBJLQEH-HNNXBMFYSA-N -1 3 336.399 2.643 20 30 EFEDHM C=CCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccccc1 ZINC000819733704 607379750 /nfs/dbraw/zinc/37/97/50/607379750.db2.gz AMHVRILEBJLQEH-HNNXBMFYSA-N -1 3 336.399 2.643 20 30 EFEDHM Cc1cccc2c1CC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737408704 599464225 /nfs/dbraw/zinc/46/42/25/599464225.db2.gz KKNITKMFDWEWQE-QPEQYQDCSA-N -1 3 342.362 2.645 20 30 EFEDHM Cc1cccc2c1CC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737408704 599464226 /nfs/dbraw/zinc/46/42/26/599464226.db2.gz KKNITKMFDWEWQE-QPEQYQDCSA-N -1 3 342.362 2.645 20 30 EFEDHM CC#CCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819766319 599661776 /nfs/dbraw/zinc/66/17/76/599661776.db2.gz WOIMIGQEYNWZRV-UHFFFAOYSA-N -1 3 333.351 2.790 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826257088 607401548 /nfs/dbraw/zinc/40/15/48/607401548.db2.gz MYEMIKMIJZYQSL-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826257088 607401550 /nfs/dbraw/zinc/40/15/50/607401550.db2.gz MYEMIKMIJZYQSL-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM C=CCN1CCC(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000736106575 599951522 /nfs/dbraw/zinc/95/15/22/599951522.db2.gz FNBLKRLSKRILPS-CYBMUJFWSA-N -1 3 348.468 2.632 20 30 EFEDHM CC(C)N(CCC(=O)[O-])CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736465353 600444605 /nfs/dbraw/zinc/44/46/05/600444605.db2.gz AIVVVDLWPLFNEB-GFCCVEGCSA-N -1 3 345.424 2.658 20 30 EFEDHM C=CCN(CC(=O)NC1(C(=O)[O-])CCCCC1)CC1CCCCC1 ZINC000736108041 600461709 /nfs/dbraw/zinc/46/17/09/600461709.db2.gz HSRPWXDOZQCQJO-UHFFFAOYSA-N -1 3 336.476 2.958 20 30 EFEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(CCc3ccccc3)CC2)cc1 ZINC000739106262 600564085 /nfs/dbraw/zinc/56/40/85/600564085.db2.gz RDBMXVDOLLZBLR-FQEVSTJZSA-N -1 3 349.434 2.544 20 30 EFEDHM CC(=O)Nc1cccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736167897 600591922 /nfs/dbraw/zinc/59/19/22/600591922.db2.gz ODVNGXQGOWLSGX-SGTLLEGYSA-N -1 3 337.379 2.993 20 30 EFEDHM N#Cc1ccc([C@H](NCc2cccc(N3CCCC3=O)c2)C(=O)[O-])cc1 ZINC000739106564 600594052 /nfs/dbraw/zinc/59/40/52/600594052.db2.gz NNEAXYAKTCJLSW-IBGZPJMESA-N -1 3 349.390 2.601 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000736663185 600597476 /nfs/dbraw/zinc/59/74/76/600597476.db2.gz WBRPVGSBLFARQP-BUXKBTBVSA-N -1 3 349.390 2.554 20 30 EFEDHM C=CCCCCCN(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000736097329 600622462 /nfs/dbraw/zinc/62/24/62/600622462.db2.gz HKWKHHWEIOWNCJ-GOSISDBHSA-N -1 3 344.455 2.703 20 30 EFEDHM COc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821877409 607459639 /nfs/dbraw/zinc/45/96/39/607459639.db2.gz IXUNMJPVUJREAS-GHXNOFRVSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821877409 607459641 /nfs/dbraw/zinc/45/96/41/607459641.db2.gz IXUNMJPVUJREAS-GHXNOFRVSA-N -1 3 336.326 2.837 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000830253865 601236092 /nfs/dbraw/zinc/23/60/92/601236092.db2.gz OSIRVBPVNGPREM-IJEWVQPXSA-N -1 3 342.395 2.787 20 30 EFEDHM CC(=O)Nc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000825913371 601299238 /nfs/dbraw/zinc/29/92/38/601299238.db2.gz QMGXKROETWBAOO-KZULUSFZSA-N -1 3 337.379 2.993 20 30 EFEDHM N#Cc1cccc([C@H](NCc2ccc(Cn3cccn3)cc2)C(=O)[O-])c1 ZINC000833075189 601299920 /nfs/dbraw/zinc/29/99/20/601299920.db2.gz ISDSSVFNJUQBTD-IBGZPJMESA-N -1 3 346.390 2.719 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000827717924 601300343 /nfs/dbraw/zinc/30/03/43/601300343.db2.gz MZQOCZMWVODIKT-HXPMCKFVSA-N -1 3 349.390 2.919 20 30 EFEDHM COCc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000831812939 601304050 /nfs/dbraw/zinc/30/40/50/601304050.db2.gz GXFVCLBCNYRFEN-KRWDZBQOSA-N -1 3 328.343 2.759 20 30 EFEDHM CN(Cc1ccc2c(c1)OCCO2)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830839979 601309642 /nfs/dbraw/zinc/30/96/42/601309642.db2.gz GWCKTTVTSMINEO-SFHVURJKSA-N -1 3 338.363 2.587 20 30 EFEDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000826055110 601654366 /nfs/dbraw/zinc/65/43/66/601654366.db2.gz VYHUGJZHZPCCPT-XHDPSFHLSA-N -1 3 343.408 2.610 20 30 EFEDHM CC[C@H](C#N)Oc1cc(CNCc2c[nH]c(C(=O)[O-])c2)ccc1OC ZINC000828586638 601833090 /nfs/dbraw/zinc/83/30/90/601833090.db2.gz HIJMDNNIRGVJRH-CQSZACIVSA-N -1 3 343.383 2.692 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1OCC#Cc1ccccc1Cl ZINC000826174422 607540721 /nfs/dbraw/zinc/54/07/21/607540721.db2.gz WGXUZWMLPWBFBF-UHFFFAOYSA-N -1 3 340.770 2.959 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1OCC#Cc1ccccc1Cl ZINC000826174422 607540722 /nfs/dbraw/zinc/54/07/22/607540722.db2.gz WGXUZWMLPWBFBF-UHFFFAOYSA-N -1 3 340.770 2.959 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826044660 607681020 /nfs/dbraw/zinc/68/10/20/607681020.db2.gz ITZCNRKMPHIQPO-OQFOIZHKSA-N -1 3 331.379 2.755 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826044660 607681021 /nfs/dbraw/zinc/68/10/21/607681021.db2.gz ITZCNRKMPHIQPO-OQFOIZHKSA-N -1 3 331.379 2.755 20 30 EFEDHM CC(C)[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000736359590 604376217 /nfs/dbraw/zinc/37/62/17/604376217.db2.gz HTMSPKLTCOOQDQ-SKDRFNHKSA-N -1 3 335.360 2.904 20 30 EFEDHM C[C@]1(NCc2nnc(-c3cccc(C#N)c3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833568910 605071582 /nfs/dbraw/zinc/07/15/82/605071582.db2.gz IIFRAUIBSVSFBB-KDOFPFPSSA-N -1 3 340.383 2.731 20 30 EFEDHM FC(F)(F)c1cccc(NN=Cc2cc(-c3nn[n-]n3)cs2)n1 ZINC000822728716 606206324 /nfs/dbraw/zinc/20/63/24/606206324.db2.gz KMEHIIQXNLBZAH-UHFFFAOYSA-N -1 3 339.306 2.788 20 30 EFEDHM C=CCCCCCN(C)[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000819740448 606328730 /nfs/dbraw/zinc/32/87/30/606328730.db2.gz ZRSWSIJCBPQKTC-MRXNPFEDSA-N -1 3 343.431 2.759 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821770442 606388615 /nfs/dbraw/zinc/38/86/15/606388615.db2.gz UEYRVGPENPXZQG-HWKANZROSA-N -1 3 330.344 2.972 20 30 EFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1O ZINC000821703058 606388709 /nfs/dbraw/zinc/38/87/09/606388709.db2.gz MVYASJGETRWYIR-UTCJRWHESA-N -1 3 328.353 2.539 20 30 EFEDHM COC[C@H](C)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821681988 606703760 /nfs/dbraw/zinc/70/37/60/606703760.db2.gz XPGMETIEYYYOAH-MRVPVSSYSA-N -1 3 328.298 2.566 20 30 EFEDHM COC[C@H](C)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821681988 606703762 /nfs/dbraw/zinc/70/37/62/606703762.db2.gz XPGMETIEYYYOAH-MRVPVSSYSA-N -1 3 328.298 2.566 20 30 EFEDHM C#CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000819697881 606833813 /nfs/dbraw/zinc/83/38/13/606833813.db2.gz NBVKGBAQXXIJKV-CYBMUJFWSA-N -1 3 338.415 2.515 20 30 EFEDHM C#CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819697881 606833815 /nfs/dbraw/zinc/83/38/15/606833815.db2.gz NBVKGBAQXXIJKV-CYBMUJFWSA-N -1 3 338.415 2.515 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NCCCOc1cccc(C#N)c1 ZINC000822220592 606863602 /nfs/dbraw/zinc/86/36/02/606863602.db2.gz YFYKTERQOOKJBM-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NCCCOc1cccc(C#N)c1 ZINC000822220592 606863604 /nfs/dbraw/zinc/86/36/04/606863604.db2.gz YFYKTERQOOKJBM-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM N#CC1(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CCCCC1 ZINC000822802002 607080915 /nfs/dbraw/zinc/08/09/15/607080915.db2.gz TXCFHIKBEXVAKB-UHFFFAOYSA-N -1 3 329.335 2.523 20 30 EFEDHM N#CC1(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CCCCC1 ZINC000822802002 607080917 /nfs/dbraw/zinc/08/09/17/607080917.db2.gz TXCFHIKBEXVAKB-UHFFFAOYSA-N -1 3 329.335 2.523 20 30 EFEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821588373 607097075 /nfs/dbraw/zinc/09/70/75/607097075.db2.gz OYRGJYZZGKMJPJ-BJMVGYQFSA-N -1 3 337.358 2.968 20 30 EFEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821588373 607097076 /nfs/dbraw/zinc/09/70/76/607097076.db2.gz OYRGJYZZGKMJPJ-BJMVGYQFSA-N -1 3 337.358 2.968 20 30 EFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826401393 607916143 /nfs/dbraw/zinc/91/61/43/607916143.db2.gz XJKRDJLLGNRWJU-WAPJZHGLSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000826401393 607916144 /nfs/dbraw/zinc/91/61/44/607916144.db2.gz XJKRDJLLGNRWJU-WAPJZHGLSA-N -1 3 339.286 2.810 20 30 EFEDHM C=CCCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000823894260 608333029 /nfs/dbraw/zinc/33/30/29/608333029.db2.gz LPKOIWXKGBMYSK-CHWSQXEVSA-N -1 3 330.388 2.922 20 30 EFEDHM C=CCCC[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000823894260 608333031 /nfs/dbraw/zinc/33/30/31/608333031.db2.gz LPKOIWXKGBMYSK-CHWSQXEVSA-N -1 3 330.388 2.922 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cccc(C#N)c1F ZINC000826252805 608453751 /nfs/dbraw/zinc/45/37/51/608453751.db2.gz SBDWUOXACYQIQU-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cccc(C#N)c1F ZINC000826252805 608453754 /nfs/dbraw/zinc/45/37/54/608453754.db2.gz SBDWUOXACYQIQU-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM O=C1c2cc(F)ccc2OC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475253 608881028 /nfs/dbraw/zinc/88/10/28/608881028.db2.gz ABUMDAUULLKYPR-NSIKDUERSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1c2cc(F)ccc2OC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475253 608881029 /nfs/dbraw/zinc/88/10/29/608881029.db2.gz ABUMDAUULLKYPR-NSIKDUERSA-N -1 3 326.262 2.761 20 30 EFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824929478 609299371 /nfs/dbraw/zinc/29/93/71/609299371.db2.gz XWOWDIQUFBOGQU-MGPLVRAMSA-N -1 3 344.806 2.722 20 30 EFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824929478 609299373 /nfs/dbraw/zinc/29/93/73/609299373.db2.gz XWOWDIQUFBOGQU-MGPLVRAMSA-N -1 3 344.806 2.722 20 30 EFEDHM COC[C@@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826148165 609305627 /nfs/dbraw/zinc/30/56/27/609305627.db2.gz AUUUJVNSSNIYBP-MRVPVSSYSA-N -1 3 342.325 2.956 20 30 EFEDHM COC[C@@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826148165 609305629 /nfs/dbraw/zinc/30/56/29/609305629.db2.gz AUUUJVNSSNIYBP-MRVPVSSYSA-N -1 3 342.325 2.956 20 30 EFEDHM C#CCN(CC)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823846120 609314131 /nfs/dbraw/zinc/31/41/31/609314131.db2.gz ZECUYRBSRLXFPG-UHFFFAOYSA-N -1 3 347.378 2.754 20 30 EFEDHM C#CCN(CC)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823846120 609314133 /nfs/dbraw/zinc/31/41/33/609314133.db2.gz ZECUYRBSRLXFPG-UHFFFAOYSA-N -1 3 347.378 2.754 20 30 EFEDHM C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824612257 609343089 /nfs/dbraw/zinc/34/30/89/609343089.db2.gz LQVXLJNSHIMBPF-SNVBAGLBSA-N -1 3 340.337 2.867 20 30 EFEDHM C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824612257 609343091 /nfs/dbraw/zinc/34/30/91/609343091.db2.gz LQVXLJNSHIMBPF-SNVBAGLBSA-N -1 3 340.337 2.867 20 30 EFEDHM C#C[C@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823838747 609384452 /nfs/dbraw/zinc/38/44/52/609384452.db2.gz TZAZDQGGTHYVHK-LBPRGKRZSA-N -1 3 334.335 2.838 20 30 EFEDHM C#C[C@H](C)OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823838747 609384453 /nfs/dbraw/zinc/38/44/53/609384453.db2.gz TZAZDQGGTHYVHK-LBPRGKRZSA-N -1 3 334.335 2.838 20 30 EFEDHM Clc1cc(NN=Cc2ccc3c(c2)CCO3)ccc1-c1nnn[n-]1 ZINC000826351638 609471778 /nfs/dbraw/zinc/47/17/78/609471778.db2.gz UNSYAXIMTFTJGJ-UHFFFAOYSA-N -1 3 340.774 2.901 20 30 EFEDHM Clc1cc(NN=Cc2ccc3c(c2)CCO3)ccc1-c1nn[n-]n1 ZINC000826351638 609471779 /nfs/dbraw/zinc/47/17/79/609471779.db2.gz UNSYAXIMTFTJGJ-UHFFFAOYSA-N -1 3 340.774 2.901 20 30 EFEDHM C=C(Br)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000700829953 1250184458 /nfs/dbraw/zinc/18/44/58/1250184458.db2.gz FHJQGIBCTQNJTK-UHFFFAOYSA-N -1 3 334.995 2.793 20 30 EFEDHM C[C@]1(CNc2ccc(C#N)cn2)CCN(C(=O)c2ccccc2[O-])C1 ZINC001065390247 1265631380 /nfs/dbraw/zinc/63/13/80/1265631380.db2.gz QLFSASYSRNEQCZ-LJQANCHMSA-N -1 3 336.395 2.623 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000945655450 1253701314 /nfs/dbraw/zinc/70/13/14/1253701314.db2.gz XPTIPQMDBWSHHS-GJZGRUSLSA-N -1 3 344.455 2.961 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC000946001674 1254335336 /nfs/dbraw/zinc/33/53/36/1254335336.db2.gz NUNGBLUSWSMUPE-GDBMZVCRSA-N -1 3 342.439 2.667 20 30 EFEDHM N#Cc1c(F)cccc1NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001060810769 1257161503 /nfs/dbraw/zinc/16/15/03/1257161503.db2.gz GXTGKNHPVPSTON-ZDUSSCGKSA-N -1 3 339.370 2.977 20 30 EFEDHM C=CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065861823 1266238475 /nfs/dbraw/zinc/23/84/75/1266238475.db2.gz AKWJWTVZZLDIDJ-OAHLLOKOSA-N -1 3 330.428 2.859 20 30 EFEDHM CC(C)(C)C#CC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065864341 1266241964 /nfs/dbraw/zinc/24/19/64/1266241964.db2.gz HEKDNOQFUYPLMT-OAHLLOKOSA-N -1 3 342.439 2.553 20 30 EFEDHM C=C1CCC(C(=O)NCC[C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001078214815 1261516681 /nfs/dbraw/zinc/51/66/81/1261516681.db2.gz YNMDMJDMXGCPPI-AWEZNQCLSA-N -1 3 330.428 2.763 20 30 EFEDHM C=CCC1(C(=O)NCC[C@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001078225934 1261550114 /nfs/dbraw/zinc/55/01/14/1261550114.db2.gz FEXXOLWMBLNNOM-AWEZNQCLSA-N -1 3 330.428 2.763 20 30 EFEDHM N#Cc1cccnc1N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001061046697 1262799643 /nfs/dbraw/zinc/79/96/43/1262799643.db2.gz DFLIEGQLGLTWSO-HUUCEWRRSA-N -1 3 336.395 2.812 20 30 EFEDHM N#Cc1cccnc1N[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001061046696 1262800026 /nfs/dbraw/zinc/80/00/26/1262800026.db2.gz DFLIEGQLGLTWSO-GJZGRUSLSA-N -1 3 336.395 2.812 20 30 EFEDHM N#Cc1cccc(CN2CC[C@@H]3CN(C(=O)c4ccccc4[O-])[C@@H]3C2)c1 ZINC001084196529 1263696585 /nfs/dbraw/zinc/69/65/85/1263696585.db2.gz MNTIXKQSAHIYRI-IEBWSBKVSA-N -1 3 347.418 2.610 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001002768021 1264031461 /nfs/dbraw/zinc/03/14/61/1264031461.db2.gz ATDNBHICWRCJHD-CQSZACIVSA-N -1 3 330.428 2.667 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCN(c3ccc(F)cc3F)C2)c1[O-] ZINC000730146661 1264214274 /nfs/dbraw/zinc/21/42/74/1264214274.db2.gz CXOZHTVWAYJRMW-SQCFBGSYSA-N -1 3 347.365 2.564 20 30 EFEDHM COc1cc(C=NNc2cn[nH]c(=O)c2Cl)cc(Cl)c1[O-] ZINC000730568421 1264379618 /nfs/dbraw/zinc/37/96/18/1264379618.db2.gz WOFYBHFVEJLVEP-UHFFFAOYSA-N -1 3 329.143 2.649 20 30 EFEDHM C#CCOc1cccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000730695520 1264425799 /nfs/dbraw/zinc/42/57/99/1264425799.db2.gz JDHIECGZXBNOHP-UHFFFAOYSA-N -1 3 337.291 2.702 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000730995931 1264508856 /nfs/dbraw/zinc/50/88/56/1264508856.db2.gz DGTRRGKWWWUHEF-UHFFFAOYSA-N -1 3 329.377 2.530 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000730996220 1264509268 /nfs/dbraw/zinc/50/92/68/1264509268.db2.gz IPGCQSBJQQVRKB-UHFFFAOYSA-N -1 3 327.405 2.988 20 30 EFEDHM C=CCCCC(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089989882 1264558465 /nfs/dbraw/zinc/55/84/65/1264558465.db2.gz DNULQIPZFOCWNF-UHFFFAOYSA-N -1 3 348.403 2.750 20 30 EFEDHM N#Cc1c(F)cccc1N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001061294614 1265024946 /nfs/dbraw/zinc/02/49/46/1265024946.db2.gz KAFSLAGBJZFJPO-CYBMUJFWSA-N -1 3 339.370 2.802 20 30 EFEDHM C=CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001273000869 1265068188 /nfs/dbraw/zinc/06/81/88/1265068188.db2.gz ZUVLFJMLTBARCD-HNNXBMFYSA-N -1 3 348.830 2.590 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000733748916 1265401104 /nfs/dbraw/zinc/40/11/04/1265401104.db2.gz NJTLFEZHFVEMDS-NBZOHKLQSA-N -1 3 339.395 2.888 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1N[C@@H]1CCc2c1cccc2C#N ZINC001171064047 1278267179 /nfs/dbraw/zinc/26/71/79/1278267179.db2.gz XTVKTXCSMJJABX-OAHLLOKOSA-N -1 3 332.367 2.846 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCc2c1cccc2C#N ZINC001171064047 1278267185 /nfs/dbraw/zinc/26/71/85/1278267185.db2.gz XTVKTXCSMJJABX-OAHLLOKOSA-N -1 3 332.367 2.846 20 30 EFEDHM COCCN(C)c1ccc(/C=C/C(=O)c2cc(C)c([O-])c(O)c2)cn1 ZINC000824406286 1266888047 /nfs/dbraw/zinc/88/80/47/1266888047.db2.gz QQOUBEQCQFXYKI-GQCTYLIASA-N -1 3 342.395 2.780 20 30 EFEDHM CC(C)(C)N1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1=O ZINC000843265616 1267070796 /nfs/dbraw/zinc/07/07/96/1267070796.db2.gz HGESOJQYHYZOPY-CHROMADKSA-N -1 3 339.233 2.973 20 30 EFEDHM COC(=O)N(C)Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000735228881 1267232206 /nfs/dbraw/zinc/23/22/06/1267232206.db2.gz KAWDJPXJMICSJP-UHFFFAOYSA-N -1 3 330.340 2.752 20 30 EFEDHM COc1cncc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)n1 ZINC000791770949 1278317679 /nfs/dbraw/zinc/31/76/79/1278317679.db2.gz HCJGIJCZODBWML-AWEZNQCLSA-N -1 3 346.346 2.600 20 30 EFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cnn(-c4ccccc4)n3)[nH]c21 ZINC000735791879 1267426020 /nfs/dbraw/zinc/42/60/20/1267426020.db2.gz DAAWIRYFUWWZDI-CQSZACIVSA-N -1 3 342.362 2.942 20 30 EFEDHM Cc1cc(C)c(NC(=O)[C@@H](C)n2ccc(C=N[O-])nc2=O)c(Cl)c1 ZINC000736306090 1267574520 /nfs/dbraw/zinc/57/45/20/1267574520.db2.gz AYSFKKWWLXCSMO-LLVKDONJSA-N -1 3 348.790 2.521 20 30 EFEDHM CN(C[C@@H]1CCN1Cc1cccc(C#N)c1)C(=O)c1ccccc1[O-] ZINC001085488663 1267629545 /nfs/dbraw/zinc/62/95/45/1267629545.db2.gz DMNUTWXVAYFDSJ-KRWDZBQOSA-N -1 3 335.407 2.610 20 30 EFEDHM C=C1c2ccccc2C(=O)N1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389661 1267802012 /nfs/dbraw/zinc/80/20/12/1267802012.db2.gz CQRIIIWPOSRROT-UHFFFAOYSA-N -1 3 337.261 2.538 20 30 EFEDHM C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029389661 1267802024 /nfs/dbraw/zinc/80/20/24/1267802024.db2.gz CQRIIIWPOSRROT-UHFFFAOYSA-N -1 3 337.261 2.538 20 30 EFEDHM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(F)cc1[O-] ZINC001273374041 1269140350 /nfs/dbraw/zinc/14/03/50/1269140350.db2.gz JYJFUMQWDUHBDX-HZPDHXFCSA-N -1 3 349.381 2.539 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCCN2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273374416 1269145072 /nfs/dbraw/zinc/14/50/72/1269145072.db2.gz MTTRQIGHSDKLHQ-SFHVURJKSA-N -1 3 336.382 2.813 20 30 EFEDHM C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001273375031 1269159356 /nfs/dbraw/zinc/15/93/56/1269159356.db2.gz SSQJRWLYTMIWMI-SFHVURJKSA-N -1 3 336.382 2.813 20 30 EFEDHM C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cc(F)c(F)cc1[O-] ZINC001273375029 1269159634 /nfs/dbraw/zinc/15/96/34/1269159634.db2.gz SSQJRWLYTMIWMI-GOSISDBHSA-N -1 3 336.382 2.813 20 30 EFEDHM C[C@@H](CNc1nc(Cl)c(C#N)s1)NC(=O)c1ccccc1[O-] ZINC001108252628 1270461633 /nfs/dbraw/zinc/46/16/33/1270461633.db2.gz PGCQZFQZRNKLGK-QMMMGPOBSA-N -1 3 336.804 2.604 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1csc(C2CC2)n1 ZINC000743448295 1270582891 /nfs/dbraw/zinc/58/28/91/1270582891.db2.gz ITFIANORMVVIRX-UHFFFAOYSA-N -1 3 335.454 2.517 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1Cc2ccc(Cl)cc2C1 ZINC000743435505 1270589029 /nfs/dbraw/zinc/58/90/29/1270589029.db2.gz FXNRCLADHFVDAN-UHFFFAOYSA-N -1 3 334.828 2.914 20 30 EFEDHM C=CCCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066458154 1270679875 /nfs/dbraw/zinc/67/98/75/1270679875.db2.gz BKLMCVHRLDGDHS-OAHLLOKOSA-N -1 3 330.428 2.859 20 30 EFEDHM N#Cc1sc([N-]C(=O)c2cc(-c3ccccn3)no2)nc1Cl ZINC001128834292 1271099925 /nfs/dbraw/zinc/09/99/25/1271099925.db2.gz SSZXFAOYGIZNEN-UHFFFAOYSA-N -1 3 331.744 2.970 20 30 EFEDHM CC#CCOC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000744736291 1271163664 /nfs/dbraw/zinc/16/36/64/1271163664.db2.gz IFNGFRPQBJYCSF-SFHVURJKSA-N -1 3 337.375 2.820 20 30 EFEDHM CC(C)(C)c1cc(C=NN2CC(=O)[N-]C2=O)c(O)c(C(C)(C)C)c1 ZINC000744810185 1271178917 /nfs/dbraw/zinc/17/89/17/1271178917.db2.gz MYOCOFCXEVIOCA-UHFFFAOYSA-N -1 3 331.416 2.873 20 30 EFEDHM Cc1cc(C=NN2CC(=O)[N-]C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000744806949 1271192776 /nfs/dbraw/zinc/19/27/76/1271192776.db2.gz DDJFGKRSOSCGDW-UHFFFAOYSA-N -1 3 330.775 2.633 20 30 EFEDHM COc1ccccc1C(C)(C)C/N=C/c1c([O-])c(C)ncc1CO ZINC000745020111 1271274172 /nfs/dbraw/zinc/27/41/72/1271274172.db2.gz BSCHDYAHWYWOTH-KEBDBYFISA-N -1 3 328.412 2.993 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(Br)c2)c1[O-] ZINC000745624137 1271531996 /nfs/dbraw/zinc/53/19/96/1271531996.db2.gz GXSLTAOYBKMTOE-CAOOACKPSA-N -1 3 335.201 2.970 20 30 EFEDHM Cc1ccc(NC(=O)C/N=C/c2c([O-])c(C)ncc2CO)c(Cl)c1 ZINC000745623987 1271533588 /nfs/dbraw/zinc/53/35/88/1271533588.db2.gz DLGWBWQDUYVQAZ-FBCYGCLPSA-N -1 3 347.802 2.607 20 30 EFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001324503790 1271987457 /nfs/dbraw/zinc/98/74/57/1271987457.db2.gz WOUJMIUUUWFCGD-UHFFFAOYSA-N -1 3 328.743 2.998 20 30 EFEDHM CCc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000746491201 1273734517 /nfs/dbraw/zinc/73/45/17/1273734517.db2.gz BMMRFSSZWFOEID-UHFFFAOYSA-N -1 3 347.396 2.611 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2nc(CCCC)[n-]c2C(=O)OCC)cn1 ZINC000792556453 1278855568 /nfs/dbraw/zinc/85/55/68/1278855568.db2.gz VWHOZGURKIKWEV-UHFFFAOYSA-N -1 3 340.383 2.558 20 30 EFEDHM C=CCCC1(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001109620109 1274478254 /nfs/dbraw/zinc/47/82/54/1274478254.db2.gz MDAFUTVGISJATR-UHFFFAOYSA-N -1 3 348.403 2.702 20 30 EFEDHM N#Cc1cccc(CNC(=O)COC(=O)c2cc3ccsc3[n-]2)c1 ZINC000746553626 1275134812 /nfs/dbraw/zinc/13/48/12/1275134812.db2.gz ZRBJRFBMYYBLBD-UHFFFAOYSA-N -1 3 339.376 2.574 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCOC(C)(C)C1 ZINC000785906861 1275241214 /nfs/dbraw/zinc/24/12/14/1275241214.db2.gz RJKXGGRJBZUZIP-CYBMUJFWSA-N -1 3 332.400 2.709 20 30 EFEDHM COc1cc(C([O-])=C(C#N)c2ccccn2)cnc1Br ZINC000788350963 1276143436 /nfs/dbraw/zinc/14/34/36/1276143436.db2.gz JMDHRTXIZCHLON-JTQLQIEISA-N -1 3 332.157 2.738 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000788322442 1276144621 /nfs/dbraw/zinc/14/46/21/1276144621.db2.gz XFKMCCXOCRUPIS-YQODDJSKSA-N -1 3 339.439 2.923 20 30 EFEDHM Cc1nsc(N[C@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])c1C#N ZINC001112911347 1276232370 /nfs/dbraw/zinc/23/23/70/1276232370.db2.gz ONYHQDJMLCJUPY-NXEZZACHSA-N -1 3 330.413 2.648 20 30 EFEDHM C[C@@H](Nc1ncc(C#N)cc1Cl)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001112912086 1276233876 /nfs/dbraw/zinc/23/38/76/1276233876.db2.gz VMZBWLFBTGJKGM-MNOVXSKESA-N -1 3 344.802 2.931 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788627177 1276246959 /nfs/dbraw/zinc/24/69/59/1276246959.db2.gz PLBGEOFAUVYARP-SSDOTTSWSA-N -1 3 337.850 2.739 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788679967 1276257637 /nfs/dbraw/zinc/25/76/37/1276257637.db2.gz KZHOLCQMHPEPRD-VIFPVBQESA-N -1 3 349.861 2.577 20 30 EFEDHM C=CC(C)(C)CC(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062569076 1276271622 /nfs/dbraw/zinc/27/16/22/1276271622.db2.gz FNEGUQPVFPYJHJ-UHFFFAOYSA-N -1 3 330.428 2.763 20 30 EFEDHM C=C[C@H](CC)CC(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062568862 1276271626 /nfs/dbraw/zinc/27/16/26/1276271626.db2.gz CNUPBUDKZHURCY-CQSZACIVSA-N -1 3 330.428 2.763 20 30 EFEDHM C#CCCCCCC(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062569607 1276271747 /nfs/dbraw/zinc/27/17/47/1276271747.db2.gz KREJMZNPMNQJFY-UHFFFAOYSA-N -1 3 342.439 2.745 20 30 EFEDHM C=CCC[C@H](C)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC001113078504 1276840341 /nfs/dbraw/zinc/84/03/41/1276840341.db2.gz LDTZQISBHPVZPS-HNNXBMFYSA-N -1 3 339.439 2.641 20 30 EFEDHM CC1(C)CC[C@H](C(=O)N[C@H]2CCN([O-])C2=O)[C@H](c2ccccc2)C1 ZINC000820128578 1277039757 /nfs/dbraw/zinc/03/97/57/1277039757.db2.gz YZKMIXLSJZFAHY-JYJNAYRXSA-N -1 3 330.428 2.703 20 30 EFEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccco1 ZINC000790042156 1277178793 /nfs/dbraw/zinc/17/87/93/1277178793.db2.gz WXOCMVXACKMVRX-INIZCTEOSA-N -1 3 348.424 2.847 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2ccc(F)cc2)CCCCC1 ZINC000820470686 1277186216 /nfs/dbraw/zinc/18/62/16/1277186216.db2.gz DHCVYJXGIWKWNX-HNNXBMFYSA-N -1 3 334.391 2.524 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1occc1CSc1ccccc1 ZINC000820471046 1277186567 /nfs/dbraw/zinc/18/65/67/1277186567.db2.gz LSZQBCBARZUNDU-CQSZACIVSA-N -1 3 346.408 2.682 20 30 EFEDHM O=C(CCCc1csc2ccccc12)N[C@@H]1CCCN([O-])C1=O ZINC000820471591 1277186891 /nfs/dbraw/zinc/18/68/91/1277186891.db2.gz ZZZMQPREXNOLHX-CQSZACIVSA-N -1 3 332.425 2.720 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000820476169 1277188927 /nfs/dbraw/zinc/18/89/27/1277188927.db2.gz JBHLOJMPAHOLOS-JTQLQIEISA-N -1 3 342.182 2.585 20 30 EFEDHM O=C(Cc1cc2c(ccc3ccccc23)o1)N[C@@H]1CCCN([O-])C1=O ZINC000820482987 1277191744 /nfs/dbraw/zinc/19/17/44/1277191744.db2.gz VTXFFCWJBORZKZ-MRXNPFEDSA-N -1 3 338.363 2.625 20 30 EFEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])c1nnnn1C1CC1 ZINC000790097826 1277252669 /nfs/dbraw/zinc/25/26/69/1277252669.db2.gz AGHIBMAHGPGXQQ-IIVQSHCLSA-N -1 3 336.193 2.656 20 30 EFEDHM CC(=NNc1nccn1C)c1cc(Br)cc(F)c1[O-] ZINC000790301578 1277438523 /nfs/dbraw/zinc/43/85/23/1277438523.db2.gz GTVIWAWTCYGYFQ-UHFFFAOYSA-N -1 3 327.157 2.863 20 30 EFEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790511632 1277622403 /nfs/dbraw/zinc/62/24/03/1277622403.db2.gz JIJYSRLQJXYKEW-UHFFFAOYSA-N -1 3 327.340 2.658 20 30 EFEDHM C[C@H](CNC(=O)c1ccccc1[O-])N(C)c1ncc(C#N)cc1Cl ZINC001113496413 1277960661 /nfs/dbraw/zinc/96/06/61/1277960661.db2.gz MOLPFEUGATVMSF-LLVKDONJSA-N -1 3 344.802 2.567 20 30 EFEDHM C[C@@H](CNC(=O)c1ccccc1[O-])N(C)c1ncc(C#N)cc1Cl ZINC001113496414 1277961127 /nfs/dbraw/zinc/96/11/27/1277961127.db2.gz MOLPFEUGATVMSF-NSHDSACASA-N -1 3 344.802 2.567 20 30 EFEDHM CCOC(=O)c1nn(C)cc1/C=C1\C(=O)c2c(c(F)ccc2[O-])[C@H]1C ZINC000792871353 1279206450 /nfs/dbraw/zinc/20/64/50/1279206450.db2.gz VQVABKWCYIDUJR-MKVDPYIPSA-N -1 3 344.342 2.825 20 30 EFEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(Cl)n1 ZINC000793415554 1279660637 /nfs/dbraw/zinc/66/06/37/1279660637.db2.gz MJVQNXLIUBTPIN-UHFFFAOYSA-N -1 3 341.751 2.555 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000846549481 1280242661 /nfs/dbraw/zinc/24/26/61/1280242661.db2.gz KVSHPBQEULIIJT-JKSUJKDBSA-N -1 3 330.428 2.778 20 30 EFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000846538303 1280254003 /nfs/dbraw/zinc/25/40/03/1280254003.db2.gz PBHVSMIBRLIASJ-OAHLLOKOSA-N -1 3 331.416 2.863 20 30 EFEDHM COC(=O)c1cc(Cl)cc(NC(=O)C#Cc2ccccc2)c1[O-] ZINC000804899590 1280401401 /nfs/dbraw/zinc/40/14/01/1280401401.db2.gz HDHFBZLMCPAWDX-UHFFFAOYSA-N -1 3 329.739 2.822 20 30 EFEDHM N#Cc1cnn(-c2ccccc2)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428090 1287425040 /nfs/dbraw/zinc/42/50/40/1287425040.db2.gz HOEVWCQGSJWATB-UHFFFAOYSA-N -1 3 328.339 2.668 20 30 EFEDHM N#Cc1cc(Br)ccc1COC(=O)c1cncc([O-])c1 ZINC000805450879 1280585095 /nfs/dbraw/zinc/58/50/95/1280585095.db2.gz SMWQQJFVRLVSQY-UHFFFAOYSA-N -1 3 333.141 2.778 20 30 EFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(Br)cs1 ZINC001147912579 1281358067 /nfs/dbraw/zinc/35/80/67/1281358067.db2.gz QNJROMWGGLVLMH-UHFFFAOYSA-N -1 3 340.202 2.950 20 30 EFEDHM N#Cc1ccc(O[C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC001148218563 1281456748 /nfs/dbraw/zinc/45/67/48/1281456748.db2.gz FVFLJNMPLFDVJG-HNNXBMFYSA-N -1 3 338.363 2.653 20 30 EFEDHM COc1cc(C=NNc2nccnc2C2CCC2)c([N+](=O)[O-])cc1[O-] ZINC000807994380 1281487406 /nfs/dbraw/zinc/48/74/06/1281487406.db2.gz OGLLJGZNFYAWLQ-UHFFFAOYSA-N -1 3 343.343 2.813 20 30 EFEDHM CCCC1N=NC(=S)N1N=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000808007423 1281492518 /nfs/dbraw/zinc/49/25/18/1281492518.db2.gz CQQSWKVQKZKOMN-UHFFFAOYSA-N -1 3 326.809 2.769 20 30 EFEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590432 1281663820 /nfs/dbraw/zinc/66/38/20/1281663820.db2.gz JRVCLONILQWTJG-LLVKDONJSA-N -1 3 329.352 2.859 20 30 EFEDHM COc1cc(C#N)c(F)cc1NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148663594 1281720171 /nfs/dbraw/zinc/72/01/71/1281720171.db2.gz AAJOBCCHHFHWRJ-UHFFFAOYSA-N -1 3 328.299 2.866 20 30 EFEDHM COc1cccc2c(C(=O)OCc3cc(C#N)ccc3F)n[n-]c21 ZINC000808675350 1281859842 /nfs/dbraw/zinc/85/98/42/1281859842.db2.gz DHXKHESJUIUYQD-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM COc1cccc2c(C(=O)OCc3cc(C#N)ccc3F)[n-]nc21 ZINC000808675350 1281859846 /nfs/dbraw/zinc/85/98/46/1281859846.db2.gz DHXKHESJUIUYQD-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM COc1cccc2c(C(=O)OCc3ccc(C#N)cc3F)n[n-]c21 ZINC000808675935 1281861475 /nfs/dbraw/zinc/86/14/75/1281861475.db2.gz XWEMHXCPBUCOTA-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM COc1cccc2c(C(=O)OCc3ccc(C#N)cc3F)[n-]nc21 ZINC000808675935 1281861485 /nfs/dbraw/zinc/86/14/85/1281861485.db2.gz XWEMHXCPBUCOTA-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1n[n-]c2c1cccc2OC ZINC000808675825 1281862138 /nfs/dbraw/zinc/86/21/38/1281862138.db2.gz UKSKWEYLFDFMNP-GFCCVEGCSA-N -1 3 345.399 2.541 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1[n-]nc2c1cccc2OC ZINC000808675825 1281862143 /nfs/dbraw/zinc/86/21/43/1281862143.db2.gz UKSKWEYLFDFMNP-GFCCVEGCSA-N -1 3 345.399 2.541 20 30 EFEDHM N#CC(=C([O-])c1ccnc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000808978036 1281979303 /nfs/dbraw/zinc/97/93/03/1281979303.db2.gz DALTVHWVBCXKIU-NSHDSACASA-N -1 3 349.316 2.908 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)nc2c3ccccc3oc21 ZINC001171362503 1282063751 /nfs/dbraw/zinc/06/37/51/1282063751.db2.gz FHBLPHKWOAAFKD-XVKPBYJWSA-N -1 3 332.747 2.677 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(OCCCc2ccccn2)cc1 ZINC001171366343 1282108197 /nfs/dbraw/zinc/10/81/97/1282108197.db2.gz WUMQYJVLMAPUMT-KSSFIOAISA-N -1 3 341.411 2.741 20 30 EFEDHM CCOc1c(F)cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)cc1C(F)(F)F ZINC001171369660 1282151492 /nfs/dbraw/zinc/15/14/92/1282151492.db2.gz YIRYGYYIIMAOJH-CPCISQLKSA-N -1 3 336.285 2.891 20 30 EFEDHM CCOC(=O)c1cnc(N=NC(C)c2cccc([O-])c2F)nc1C ZINC000872363390 1287552622 /nfs/dbraw/zinc/55/26/22/1287552622.db2.gz XDVYPJDWOGFFJI-UHFFFAOYSA-N -1 3 332.335 2.643 20 30 EFEDHM C=CCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093383508 1283856541 /nfs/dbraw/zinc/85/65/41/1283856541.db2.gz VPHKNMNXHLPPFZ-UHFFFAOYSA-N -1 3 348.403 2.893 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCCOCC(F)(F)C(F)(F)F)c1 ZINC000811184250 1284091375 /nfs/dbraw/zinc/09/13/75/1284091375.db2.gz KLRQIFIINRRNAG-UHFFFAOYSA-N -1 3 339.216 2.635 20 30 EFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000811184217 1284092844 /nfs/dbraw/zinc/09/28/44/1284092844.db2.gz JHOAHRWVRLSEQY-LLVKDONJSA-N -1 3 345.376 2.585 20 30 EFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1c[nH]c2ncccc12 ZINC000811185858 1284093459 /nfs/dbraw/zinc/09/34/59/1284093459.db2.gz VKOFZUQSBHQJRV-JTQLQIEISA-N -1 3 335.319 2.568 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCc2ncc(Br)s2)c1 ZINC000811186917 1284095311 /nfs/dbraw/zinc/09/53/11/1284095311.db2.gz DEEJDDBKDYJINP-UHFFFAOYSA-N -1 3 339.170 2.840 20 30 EFEDHM COC(=O)c1cc(COC(=O)c2cc([O-])cc(C#N)c2)c(C)s1 ZINC000811185552 1284095965 /nfs/dbraw/zinc/09/59/65/1284095965.db2.gz NZTOTSSLROPMHR-UHFFFAOYSA-N -1 3 331.349 2.777 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)NCCCC2CCCCC2)c1 ZINC000811186890 1284096453 /nfs/dbraw/zinc/09/64/53/1284096453.db2.gz CBEUAMRFDGRPMA-UHFFFAOYSA-N -1 3 344.411 2.897 20 30 EFEDHM COC(=O)c1ccc(COC(=O)c2cc([O-])cc(C#N)c2)cc1F ZINC000811187309 1284097337 /nfs/dbraw/zinc/09/73/37/1284097337.db2.gz FDHIKTYFVRLVQA-UHFFFAOYSA-N -1 3 329.283 2.547 20 30 EFEDHM Cc1nc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)sc1C ZINC000811188790 1284098239 /nfs/dbraw/zinc/09/82/39/1284098239.db2.gz XPZNBUVLAILFBR-VIFPVBQESA-N -1 3 345.380 2.521 20 30 EFEDHM CC[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NCc1ccccc1 ZINC000811188618 1284099755 /nfs/dbraw/zinc/09/97/55/1284099755.db2.gz QMTSPIOLUQPXHK-KRWDZBQOSA-N -1 3 338.363 2.516 20 30 EFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000811188379 1284100217 /nfs/dbraw/zinc/10/02/17/1284100217.db2.gz HRXUSEAABTWNJO-VIFPVBQESA-N -1 3 346.289 2.726 20 30 EFEDHM COc1cc([N+](=O)[O-])ccc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188235 1284100300 /nfs/dbraw/zinc/10/03/00/1284100300.db2.gz FIIQOMIHEWYWHA-UHFFFAOYSA-N -1 3 328.280 2.538 20 30 EFEDHM COc1cc(C=NN[C@H](C)COc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000811669258 1284496749 /nfs/dbraw/zinc/49/67/49/1284496749.db2.gz YRVMRHZIOGFMLK-GFCCVEGCSA-N -1 3 345.355 2.700 20 30 EFEDHM CCOC(=O)c1ccc(NN=C2C(=O)Nc3cc([O-])ccc32)cc1C ZINC000812229285 1284959063 /nfs/dbraw/zinc/95/90/63/1284959063.db2.gz CUHUTQVXFYKEPO-UHFFFAOYSA-N -1 3 339.351 2.646 20 30 EFEDHM CCOC(=O)c1ccc(NN=Cc2c([O-])c(C)ncc2CO)cc1C ZINC000812228116 1284976190 /nfs/dbraw/zinc/97/61/90/1284976190.db2.gz CUQDQPFJADOVNW-UHFFFAOYSA-N -1 3 343.383 2.519 20 30 EFEDHM C#CCCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000813680586 1286062346 /nfs/dbraw/zinc/06/23/46/1286062346.db2.gz FIECBFDYWIUQAE-UHFFFAOYSA-N -1 3 339.310 2.806 20 30 EFEDHM CS(=O)(=O)N(Cc1ccccc1)N=Cc1c([O-])cccc1Cl ZINC000814237191 1286432924 /nfs/dbraw/zinc/43/29/24/1286432924.db2.gz LFQGWHXOPRMOGB-UHFFFAOYSA-N -1 3 338.816 2.841 20 30 EFEDHM Cc1cc(C)n(-c2nncn2N=Cc2ccc3ccccc3c2[O-])n1 ZINC000814773645 1287017708 /nfs/dbraw/zinc/01/77/08/1287017708.db2.gz DHHUGIQHYCBRGJ-UHFFFAOYSA-N -1 3 332.367 2.822 20 30 EFEDHM Cc1ccc2snc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c2c1 ZINC000815915645 1287905837 /nfs/dbraw/zinc/90/58/37/1287905837.db2.gz VIOHJKNHLGPEIX-GFCCVEGCSA-N -1 3 336.376 2.961 20 30 EFEDHM COc1cc(Cl)cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1 ZINC000815915687 1287906347 /nfs/dbraw/zinc/90/63/47/1287906347.db2.gz WPKBDEYHTJDLCB-CYBMUJFWSA-N -1 3 329.743 2.705 20 30 EFEDHM CC(C)(C)COS(=O)(=O)c1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001176263588 1287934329 /nfs/dbraw/zinc/93/43/29/1287934329.db2.gz TVCAJCRFYMTSOX-UHFFFAOYSA-N -1 3 337.401 2.677 20 30 EFEDHM C#C[C@@H](CC)Oc1ccc(COC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000816048849 1287967332 /nfs/dbraw/zinc/96/73/32/1287967332.db2.gz RFZUHMHMYVTACU-HNNXBMFYSA-N -1 3 341.363 2.949 20 30 EFEDHM C[C@@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000816754362 1288263859 /nfs/dbraw/zinc/26/38/59/1288263859.db2.gz BUIJDCUFJCAYJA-GWCFXTLKSA-N -1 3 344.333 2.695 20 30 EFEDHM CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757401 1288265298 /nfs/dbraw/zinc/26/52/98/1288265298.db2.gz RJYKWFMKHWRCNI-LLVKDONJSA-N -1 3 328.821 2.562 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Oc2ccccc2)cc1 ZINC000816755794 1288265383 /nfs/dbraw/zinc/26/53/83/1288265383.db2.gz JNBANHKKXZUMCZ-INIZCTEOSA-N -1 3 326.352 2.589 20 30 EFEDHM O=C1CN(N=Cc2cnn(C3CCCC3)c2-c2ccccc2)C(=O)[N-]1 ZINC000817322574 1288542991 /nfs/dbraw/zinc/54/29/91/1288542991.db2.gz CPCPUDSZKWQZAF-UHFFFAOYSA-N -1 3 337.383 2.551 20 30 EFEDHM O=C(C#Cc1ccccn1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177806096 1288553868 /nfs/dbraw/zinc/55/38/68/1288553868.db2.gz UFSXTAFRBKVMNX-UHFFFAOYSA-N -1 3 337.766 2.657 20 30 EFEDHM N#CN=C(NC([O-])=Cc1ccc(-c2ccccn2)cc1)c1ccncc1 ZINC001177948743 1288610274 /nfs/dbraw/zinc/61/02/74/1288610274.db2.gz HQJRRIVXJMLRFV-UHFFFAOYSA-N -1 3 341.374 2.730 20 30 EFEDHM C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001179586752 1289189675 /nfs/dbraw/zinc/18/96/75/1289189675.db2.gz GHUIYDZDEACBIQ-ZDUSSCGKSA-N -1 3 338.791 2.901 20 30 EFEDHM Cc1noc([N-]C(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)c1C#N ZINC001180454419 1289539857 /nfs/dbraw/zinc/53/98/57/1289539857.db2.gz OXWWLFVNMRAUEZ-INIZCTEOSA-N -1 3 328.303 2.516 20 30 EFEDHM CC(C)(C)OC(=O)N[C@@H](CC#N)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001180783075 1289632425 /nfs/dbraw/zinc/63/24/25/1289632425.db2.gz OHHKTTFOHLNAIK-LBPRGKRZSA-N -1 3 339.779 2.791 20 30 EFEDHM C=CCN(CC(=O)OCC)Cc1ccc(Br)cc1[O-] ZINC000824587654 1289712005 /nfs/dbraw/zinc/71/20/05/1289712005.db2.gz YHFNOTGPZLCSRM-UHFFFAOYSA-N -1 3 328.206 2.706 20 30 EFEDHM C[C@@H]1CCN(Cc2cc(C#N)ccc2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC001232673422 1312757544 /nfs/dbraw/zinc/75/75/44/1312757544.db2.gz FVPXSUCIDGFBHA-CZUORRHYSA-N -1 3 345.443 2.999 20 30 EFEDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2[O-])CC12CC2 ZINC001232673663 1312757963 /nfs/dbraw/zinc/75/79/63/1312757963.db2.gz KQKUKLNXMJHBTF-MRXNPFEDSA-N -1 3 343.427 2.753 20 30 EFEDHM C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2cc(C#N)ccc2[O-])C1 ZINC001232678776 1312759701 /nfs/dbraw/zinc/75/97/01/1312759701.db2.gz PFJJRDHTKBCEQU-XJKSGUPXSA-N -1 3 345.443 2.999 20 30 EFEDHM Cc1coc([N-]C(=O)c2cnn3cc(Br)cnc23)c1C#N ZINC001151122157 1290152036 /nfs/dbraw/zinc/15/20/36/1290152036.db2.gz HUDYGSZTGBHJNM-UHFFFAOYSA-N -1 3 346.144 2.517 20 30 EFEDHM C=CCCn1cc(CNCc2cccc(Br)c2[O-])nn1 ZINC000825710753 1290178785 /nfs/dbraw/zinc/17/87/85/1290178785.db2.gz ZRPZTBDUTSARPJ-UHFFFAOYSA-N -1 3 337.221 2.612 20 30 EFEDHM Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001183887503 1290402043 /nfs/dbraw/zinc/40/20/43/1290402043.db2.gz KZVCZNVHRWUZKX-UHFFFAOYSA-N -1 3 348.288 2.666 20 30 EFEDHM Cc1[nH]c2ccc(C#N)cc2c1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001183887503 1290402047 /nfs/dbraw/zinc/40/20/47/1290402047.db2.gz KZVCZNVHRWUZKX-UHFFFAOYSA-N -1 3 348.288 2.666 20 30 EFEDHM CSc1ccc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)o1 ZINC001184470014 1290465445 /nfs/dbraw/zinc/46/54/45/1290465445.db2.gz DVEQDFADAYSXEB-UHFFFAOYSA-N -1 3 325.353 2.911 20 30 EFEDHM Cc1cccc(N2CC[C@@H](C(=O)Nc3ccc([O-])c(C#N)c3)C2=O)c1 ZINC001184626237 1290484111 /nfs/dbraw/zinc/48/41/11/1290484111.db2.gz ATSLMGKLFGQEKG-INIZCTEOSA-N -1 3 335.363 2.564 20 30 EFEDHM COC(=O)Cc1ccc([O-])c(NC(=O)Nc2ccc(C#N)cc2)c1 ZINC001184754095 1290501469 /nfs/dbraw/zinc/50/14/69/1290501469.db2.gz ZEDCPFFPCFDLEP-UHFFFAOYSA-N -1 3 325.324 2.623 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC000956722009 1290567477 /nfs/dbraw/zinc/56/74/77/1290567477.db2.gz SPZBNJOXSNEJNB-MOPGFXCFSA-N -1 3 330.428 2.715 20 30 EFEDHM C#C[C@H]1CCCN(Cc2ccc([O-])c(I)c2)C1 ZINC001232870305 1312799928 /nfs/dbraw/zinc/79/99/28/1312799928.db2.gz OJRUGKLINJONJX-NSHDSACASA-N -1 3 341.192 2.842 20 30 EFEDHM C[C@@]1(C#N)CCN(Cc2ccc([O-])c(I)c2)C1 ZINC001232875083 1312801006 /nfs/dbraw/zinc/80/10/06/1312801006.db2.gz VZTBDFQBUGQCBF-ZDUSSCGKSA-N -1 3 342.180 2.732 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CCCCOC)c(C)c1[O-] ZINC001185621887 1290733141 /nfs/dbraw/zinc/73/31/41/1290733141.db2.gz SORCZAVGIHRHLE-UHFFFAOYSA-N -1 3 334.372 2.504 20 30 EFEDHM C=C[C@H](CC(=O)OCCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000774991676 1290917953 /nfs/dbraw/zinc/91/79/53/1290917953.db2.gz KBLAPASCWMAKAU-GFCCVEGCSA-N -1 3 329.318 2.958 20 30 EFEDHM C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233036169 1312838883 /nfs/dbraw/zinc/83/88/83/1312838883.db2.gz LXCOWFQASHYDEY-WMLDXEAASA-N -1 3 338.835 2.767 20 30 EFEDHM C=CCN1C(=O)CCC[C@]12CCCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233036561 1312839035 /nfs/dbraw/zinc/83/90/35/1312839035.db2.gz OOOGTBQQRMGGKK-GOSISDBHSA-N -1 3 349.862 2.974 20 30 EFEDHM C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233036167 1312839371 /nfs/dbraw/zinc/83/93/71/1312839371.db2.gz LXCOWFQASHYDEY-RHSMWYFYSA-N -1 3 338.835 2.767 20 30 EFEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1nn[n-]c1C(F)(F)F ZINC001187773412 1291222073 /nfs/dbraw/zinc/22/20/73/1291222073.db2.gz GADIUKCFNMQLHE-SECBINFHSA-N -1 3 340.305 2.879 20 30 EFEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1[n-]nnc1C(F)(F)F ZINC001187773412 1291222076 /nfs/dbraw/zinc/22/20/76/1291222076.db2.gz GADIUKCFNMQLHE-SECBINFHSA-N -1 3 340.305 2.879 20 30 EFEDHM N#Cc1nc2ccc(NC(=O)c3[n-]nnc3C(F)(F)F)cc2s1 ZINC001187766044 1291233055 /nfs/dbraw/zinc/23/30/55/1291233055.db2.gz CVUCEBVBKSKLAL-UHFFFAOYSA-N -1 3 338.274 2.557 20 30 EFEDHM N#Cc1nc2ccc(NC(=O)c3nn[n-]c3C(F)(F)F)cc2s1 ZINC001187766044 1291233064 /nfs/dbraw/zinc/23/30/64/1291233064.db2.gz CVUCEBVBKSKLAL-UHFFFAOYSA-N -1 3 338.274 2.557 20 30 EFEDHM N#Cc1ccc(N2CCN(Cc3cccc([O-])c3F)CC2)c(F)c1 ZINC001233058157 1312846223 /nfs/dbraw/zinc/84/62/23/1312846223.db2.gz UKMOOWKNTJHEGP-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1cc(F)cc2c1OCOC2 ZINC001188873129 1291485632 /nfs/dbraw/zinc/48/56/32/1291485632.db2.gz VXNWPLFUTKLMOD-UHFFFAOYSA-N -1 3 329.287 2.913 20 30 EFEDHM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCN([O-])C3=O)cc2)cs1 ZINC000878092301 1291489999 /nfs/dbraw/zinc/48/99/99/1291489999.db2.gz QPNCQSJJFZFLQG-CYBMUJFWSA-N -1 3 346.412 2.620 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(C)[nH]c2C)c(C)c1[O-] ZINC001188999653 1291542149 /nfs/dbraw/zinc/54/21/49/1291542149.db2.gz KPZYAMGITFMJRJ-UHFFFAOYSA-N -1 3 341.367 2.946 20 30 EFEDHM O=C(Nc1ccc(OC2CCCC2)cc1)N[C@H]1CCCN([O-])C1=O ZINC000878201590 1291552275 /nfs/dbraw/zinc/55/22/75/1291552275.db2.gz BFDZBJDMNBVORL-HNNXBMFYSA-N -1 3 333.388 2.510 20 30 EFEDHM CC(C)Cn1ccc2cc(NC(=O)N[C@H]3CCCN([O-])C3=O)ccc21 ZINC000878547022 1291711700 /nfs/dbraw/zinc/71/17/00/1291711700.db2.gz UBFQSFZJOAHFIW-HNNXBMFYSA-N -1 3 344.415 2.799 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccnc1Cl ZINC000121368730 1291790181 /nfs/dbraw/zinc/79/01/81/1291790181.db2.gz IAWBWKAPOIJMMF-UHFFFAOYSA-N -1 3 345.786 2.588 20 30 EFEDHM CSc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1Cl ZINC000878865210 1291833187 /nfs/dbraw/zinc/83/31/87/1291833187.db2.gz VHQICJJAWUKJPW-JTQLQIEISA-N -1 3 329.809 2.564 20 30 EFEDHM N#CC1CC([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC001189773640 1291851237 /nfs/dbraw/zinc/85/12/37/1291851237.db2.gz OSZUSOQOHMYSNA-UHFFFAOYSA-N -1 3 349.637 2.683 20 30 EFEDHM CC(C)(C)OCc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000878894965 1291854492 /nfs/dbraw/zinc/85/44/92/1291854492.db2.gz YJGSSYHVYMRFMR-CQSZACIVSA-N -1 3 335.404 2.503 20 30 EFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cnc(-c2ccccc2)nc1 ZINC001190021535 1291956016 /nfs/dbraw/zinc/95/60/16/1291956016.db2.gz FRQXDNIVLMUSMC-UHFFFAOYSA-N -1 3 333.351 2.583 20 30 EFEDHM COc1cc(Cl)c(Cl)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000879355593 1292086663 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EFEDHM C[C@H](CCc1ccc(O)cc1)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190669644 1292255313 /nfs/dbraw/zinc/25/53/13/1292255313.db2.gz VYMHKCPNEODQAY-GFCCVEGCSA-N -1 3 348.399 2.703 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c1 ZINC001190669287 1292255603 /nfs/dbraw/zinc/25/56/03/1292255603.db2.gz LVEFFGHATARSCN-UHFFFAOYSA-N -1 3 330.384 2.922 20 30 EFEDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C#N)ccc2F)nc1 ZINC001190677844 1292282678 /nfs/dbraw/zinc/28/26/78/1292282678.db2.gz UYANDFYMZGOAOR-UHFFFAOYSA-N -1 3 347.415 2.657 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccc(F)cn2)C2CC2)c1 ZINC001190677984 1292282742 /nfs/dbraw/zinc/28/27/42/1292282742.db2.gz XJDPUMWYJFRPGX-INIZCTEOSA-N -1 3 349.362 2.661 20 30 EFEDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)C2CC2)nc1 ZINC001190676411 1292282888 /nfs/dbraw/zinc/28/28/88/1292282888.db2.gz CJBLNTKHTQCYPZ-QGZVFWFLSA-N -1 3 345.399 2.830 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cnc(-c3ccc(O)cc3)nc2)CC1 ZINC001190773607 1292308411 /nfs/dbraw/zinc/30/84/11/1292308411.db2.gz IMANJLQINIMKPZ-UHFFFAOYSA-N -1 3 331.397 2.700 20 30 EFEDHM C=CCOCc1ncn2c1CN(Cc1ccc(C#N)cc1[O-])CCC2 ZINC001233384014 1312918504 /nfs/dbraw/zinc/91/85/04/1312918504.db2.gz DFJOOZHWGPQPPE-UHFFFAOYSA-N -1 3 338.411 2.569 20 30 EFEDHM CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(C#N)cc3[O-])C2)C1 ZINC001233384471 1312918716 /nfs/dbraw/zinc/91/87/16/1312918716.db2.gz XGBAEXMVTTURRV-UHFFFAOYSA-N -1 3 343.427 2.707 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1ccc(C#N)cc1[O-] ZINC001233384529 1312918928 /nfs/dbraw/zinc/91/89/28/1312918928.db2.gz YQUJPVCMWHCZJZ-HZPDHXFCSA-N -1 3 343.427 2.848 20 30 EFEDHM N#Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)c([O-])c1 ZINC001233384796 1312919262 /nfs/dbraw/zinc/91/92/62/1312919262.db2.gz ITHAJCJGQOSPPF-JKSUJKDBSA-N -1 3 339.420 2.705 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2OC)CC1 ZINC001190813883 1292345637 /nfs/dbraw/zinc/34/56/37/1292345637.db2.gz UVPXOQWWBCKVEH-UHFFFAOYSA-N -1 3 327.402 2.563 20 30 EFEDHM COc1ccc(N2CCN(Cc3ccc(C#N)cc3[O-])CC2)c(C)c1 ZINC001233387331 1312920453 /nfs/dbraw/zinc/92/04/53/1312920453.db2.gz FKAFZUAYTUSURV-UHFFFAOYSA-N -1 3 337.423 2.903 20 30 EFEDHM N#Cc1ccc(CN2CCN(c3ccc(C#N)cc3F)CC2)c([O-])c1 ZINC001233387022 1312920569 /nfs/dbraw/zinc/92/05/69/1312920569.db2.gz QSCLROOHGOXAFI-UHFFFAOYSA-N -1 3 336.370 2.597 20 30 EFEDHM CCOC[C@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2cn(CC)nc21 ZINC001233385957 1312920674 /nfs/dbraw/zinc/92/06/74/1312920674.db2.gz ZMNRGMCLQCYRCI-QGZVFWFLSA-N -1 3 340.427 2.616 20 30 EFEDHM CCOC(=O)c1cc(NC(=O)c2cccc(C(C)(C)C#N)c2)[n-]n1 ZINC001190912302 1292391432 /nfs/dbraw/zinc/39/14/32/1292391432.db2.gz JQLIYFDHSGWGJV-UHFFFAOYSA-N -1 3 326.356 2.640 20 30 EFEDHM CCOC(=O)c1cc(NC(=O)c2cccc(C(C)(C)C#N)c2)n[n-]1 ZINC001190912302 1292391444 /nfs/dbraw/zinc/39/14/44/1292391444.db2.gz JQLIYFDHSGWGJV-UHFFFAOYSA-N -1 3 326.356 2.640 20 30 EFEDHM N#Cc1ccc([O-])c(Nc2ccc(C(=O)N3CCC(=O)CC3)cc2)c1 ZINC001191147026 1292478574 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EFEDHM Cc1nn(CC(C)C)c(C)c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001193875994 1293459113 /nfs/dbraw/zinc/45/91/13/1293459113.db2.gz SIMYWZALTXNZOH-UHFFFAOYSA-N -1 3 329.404 2.595 20 30 EFEDHM C=CCN1CCC2(CCN(Cc3cc(F)c([O-])cc3F)CC2)C1=O ZINC001273677289 1293628729 /nfs/dbraw/zinc/62/87/29/1293628729.db2.gz MDJRLVXADDDFNA-UHFFFAOYSA-N -1 3 336.382 2.671 20 30 EFEDHM C[C@](C#N)([N-]S(=O)(=O)C1CCC(=O)CC1)c1ccccc1Cl ZINC001194821387 1293723422 /nfs/dbraw/zinc/72/34/22/1293723422.db2.gz MMJXPELOZWXNLL-OAHLLOKOSA-N -1 3 340.832 2.510 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(CC#N)c2)cc1F ZINC001194981993 1293767543 /nfs/dbraw/zinc/76/75/43/1293767543.db2.gz QZZHWBKZTXHQLR-UHFFFAOYSA-N -1 3 347.371 2.516 20 30 EFEDHM C=CCCOc1ccc(C(=O)N=c2nc3[nH][n-]cc-3c(Cl)n2)cc1 ZINC001195125621 1293815246 /nfs/dbraw/zinc/81/52/46/1293815246.db2.gz XXYWPLLNOSTMCW-UHFFFAOYSA-N -1 3 343.774 2.587 20 30 EFEDHM C=CCCOc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001195142299 1293821764 /nfs/dbraw/zinc/82/17/64/1293821764.db2.gz MMZPQIQPFPZYPF-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM C=CCCOc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001195142299 1293821768 /nfs/dbraw/zinc/82/17/68/1293821768.db2.gz MMZPQIQPFPZYPF-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM Cc1cccc(Cl)c1S(=O)(=O)[N-]/C=C/C(=O)C(F)(F)F ZINC001195327752 1293878116 /nfs/dbraw/zinc/87/81/16/1293878116.db2.gz GHMWOEBYZPRRQA-AATRIKPKSA-N -1 3 327.711 2.572 20 30 EFEDHM COc1cc(C#N)c([N-]C(=S)NC(=O)c2ccccc2)cc1OC ZINC001195414584 1293912483 /nfs/dbraw/zinc/91/24/83/1293912483.db2.gz QFHDAERPNWBRMZ-UHFFFAOYSA-N -1 3 341.392 2.702 20 30 EFEDHM C=CCOC(=O)c1ccc(NC([S-])=NC(=O)OCC)c(F)c1 ZINC001195486909 1293940007 /nfs/dbraw/zinc/94/00/07/1293940007.db2.gz MPINOLYVEJUHIN-UHFFFAOYSA-N -1 3 326.349 2.611 20 30 EFEDHM C=CCOC(=O)c1ccc(NC(=S)[N-]C(=O)OCC)c(F)c1 ZINC001195486909 1293940013 /nfs/dbraw/zinc/94/00/13/1293940013.db2.gz MPINOLYVEJUHIN-UHFFFAOYSA-N -1 3 326.349 2.611 20 30 EFEDHM CC(C)(S)C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001195505384 1293945583 /nfs/dbraw/zinc/94/55/83/1293945583.db2.gz MUOJFOGXSNSQPZ-UHFFFAOYSA-N -1 3 342.255 2.575 20 30 EFEDHM COc1ccccc1-n1cnc(C(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001195816923 1294031119 /nfs/dbraw/zinc/03/11/19/1294031119.db2.gz LEMYAXCYAPNJQC-UHFFFAOYSA-N -1 3 334.335 2.710 20 30 EFEDHM N#Cc1cc(F)c(NS(=O)(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC001195802804 1294040673 /nfs/dbraw/zinc/04/06/73/1294040673.db2.gz MYTHYQYGUGAEDK-UHFFFAOYSA-N -1 3 326.736 2.857 20 30 EFEDHM N#Cc1[nH]cnc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309612 1294186340 /nfs/dbraw/zinc/18/63/40/1294186340.db2.gz ZIOYIFGYUTYFJE-UHFFFAOYSA-N -1 3 329.319 2.778 20 30 EFEDHM COc1cccc(-c2cc([O-])cc(C(=O)Nc3cnc(C#N)cn3)c2)c1 ZINC001196353007 1294208738 /nfs/dbraw/zinc/20/87/38/1294208738.db2.gz USZLQOWNNMZBMV-UHFFFAOYSA-N -1 3 346.346 2.982 20 30 EFEDHM N#Cc1cccnc1C(=O)[N-]c1nc(F)cc(C(F)(F)F)c1F ZINC001196546986 1294284210 /nfs/dbraw/zinc/28/42/10/1294284210.db2.gz LGTGDNUBHCWFNA-UHFFFAOYSA-N -1 3 328.200 2.898 20 30 EFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)c[nH]c1=O ZINC001196649987 1294319007 /nfs/dbraw/zinc/31/90/07/1294319007.db2.gz DKVKDTJOQVFSCR-UHFFFAOYSA-N -1 3 344.179 2.766 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([O-])cc(C#N)c2)CC1=O ZINC001234139095 1313066506 /nfs/dbraw/zinc/06/65/06/1313066506.db2.gz FUNOMWUOBAIIJJ-CYBMUJFWSA-N -1 3 332.356 2.569 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3cc([O-])cc(C#N)c3)[C@H]2C1 ZINC001234144733 1313067351 /nfs/dbraw/zinc/06/73/51/1313067351.db2.gz UOZZGRIKVHPOJK-RCBQFDQVSA-N -1 3 330.384 2.898 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](OCCOc2cc([O-])cc(C#N)c2)C1 ZINC001234144445 1313067759 /nfs/dbraw/zinc/06/77/59/1313067759.db2.gz OOJXVFSZQWCNPM-HNNXBMFYSA-N -1 3 348.399 2.669 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234143570 1313067795 /nfs/dbraw/zinc/06/77/95/1313067795.db2.gz DUGNAKRHWHLOKF-CABCVRRESA-N -1 3 336.363 2.990 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3cc([O-])cc(C#N)c3)[C@H]2C1 ZINC001234144734 1313067987 /nfs/dbraw/zinc/06/79/87/1313067987.db2.gz UOZZGRIKVHPOJK-VBNZEHGJSA-N -1 3 330.384 2.898 20 30 EFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC001196690331 1294347345 /nfs/dbraw/zinc/34/73/45/1294347345.db2.gz KRWIXDNOTIHTQD-VIFPVBQESA-N -1 3 334.775 2.925 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000775747832 1294410919 /nfs/dbraw/zinc/41/09/19/1294410919.db2.gz YHBGAMSYFDCUHO-NSHDSACASA-N -1 3 329.393 2.635 20 30 EFEDHM N#Cc1cc(NC(=O)c2cnn(Cc3ccc(F)cc3)c2)ccc1[O-] ZINC001197456631 1294570558 /nfs/dbraw/zinc/57/05/58/1294570558.db2.gz YOSXBPBTDQIWTB-UHFFFAOYSA-N -1 3 336.326 2.900 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccnc2)cc1C(F)(F)F ZINC001197457117 1294571328 /nfs/dbraw/zinc/57/13/28/1294571328.db2.gz FFCNZERTVYBOLE-UHFFFAOYSA-N -1 3 341.314 2.914 20 30 EFEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc3nccnc3c2)cc1F ZINC001198144220 1294909820 /nfs/dbraw/zinc/90/98/20/1294909820.db2.gz HIXXMKASPJWKFY-UHFFFAOYSA-N -1 3 346.318 2.580 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@H]([C@@H](C)NC(=O)c3ccccc3[O-])C2)C1 ZINC000959272602 1295146910 /nfs/dbraw/zinc/14/69/10/1295146910.db2.gz QPVPSTBCPNFQKZ-CABCVRRESA-N -1 3 342.439 2.715 20 30 EFEDHM N#Cc1ccccc1CN1CC[C@H](Oc2nc3c(cccc3[O-])[nH]2)C1 ZINC001234446209 1313130824 /nfs/dbraw/zinc/13/08/24/1313130824.db2.gz FFKTTXXOKRBERY-HNNXBMFYSA-N -1 3 334.379 2.793 20 30 EFEDHM CC(C)Oc1ccc(COc2[n-]c(=O)nc3cccc(C#N)c32)cn1 ZINC001234511637 1313141741 /nfs/dbraw/zinc/14/17/41/1313141741.db2.gz SVVXGQCSRBQDGG-UHFFFAOYSA-N -1 3 336.351 2.968 20 30 EFEDHM COC(=O)c1ccccc1NC(=S)Nc1ccc([O-])c(C#N)c1 ZINC001198980078 1295374164 /nfs/dbraw/zinc/37/41/64/1295374164.db2.gz GCMVOPDLLHAUDU-UHFFFAOYSA-N -1 3 327.365 2.859 20 30 EFEDHM COC(=O)c1cc(C#N)cc([N-]C(=O)c2cnoc2C(F)(F)F)c1 ZINC001199054541 1295407836 /nfs/dbraw/zinc/40/78/36/1295407836.db2.gz BEWGJJGKPRGYPY-UHFFFAOYSA-N -1 3 339.229 2.604 20 30 EFEDHM CN1CCN(Cc2cccc(Nc3scc([O-])c3C#N)c2)CC1 ZINC001204503567 1313151661 /nfs/dbraw/zinc/15/16/61/1313151661.db2.gz SZAAXHVMSYZBGA-UHFFFAOYSA-N -1 3 328.441 2.816 20 30 EFEDHM Cc1noc([N-]C(=O)c2cc(C(F)(F)F)n(CC(C)C)n2)c1C#N ZINC001199599295 1295612707 /nfs/dbraw/zinc/61/27/07/1295612707.db2.gz VGDKZMUFUCFCEZ-UHFFFAOYSA-N -1 3 341.293 2.978 20 30 EFEDHM O=C(Nc1ccc2c(c1)C=CC1(CCC1)O2)N[C@H]1CCCN([O-])C1=O ZINC000889728611 1295808422 /nfs/dbraw/zinc/80/84/22/1295808422.db2.gz LLCOXBAQQVMVRB-AWEZNQCLSA-N -1 3 343.383 2.517 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ncc2F)cc1C#N ZINC001201292749 1296686575 /nfs/dbraw/zinc/68/65/75/1296686575.db2.gz KSRDEVMHGVCZGD-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)cc1C#N ZINC001201320469 1296725560 /nfs/dbraw/zinc/72/55/60/1296725560.db2.gz ZZGXMZJDAUDXOU-UHFFFAOYSA-N -1 3 333.319 2.817 20 30 EFEDHM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201791368 1297105308 /nfs/dbraw/zinc/10/53/08/1297105308.db2.gz TYFCNSCCOBNJOX-GFCCVEGCSA-N -1 3 349.225 2.949 20 30 EFEDHM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201791369 1297105737 /nfs/dbraw/zinc/10/57/37/1297105737.db2.gz TYFCNSCCOBNJOX-LBPRGKRZSA-N -1 3 349.225 2.949 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201898896 1297138775 /nfs/dbraw/zinc/13/87/75/1297138775.db2.gz LHGJKHNSBPCDJK-OAHLLOKOSA-N -1 3 345.424 2.631 20 30 EFEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201901962 1297142230 /nfs/dbraw/zinc/14/22/30/1297142230.db2.gz HRFKHKQOQWYZAO-SFHVURJKSA-N -1 3 344.436 2.741 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000776280919 1297358769 /nfs/dbraw/zinc/35/87/69/1297358769.db2.gz YTSMFRCUBZCWAK-UHFFFAOYSA-N -1 3 348.717 2.852 20 30 EFEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000778999569 1297740808 /nfs/dbraw/zinc/74/08/08/1297740808.db2.gz HMJTUULTMOCPOI-UHFFFAOYSA-N -1 3 342.374 2.591 20 30 EFEDHM N#Cc1cccc(N2CCN(Cc3sc(=O)[n-]c3Cl)CC2)c1 ZINC001237170712 1313597871 /nfs/dbraw/zinc/59/78/71/1313597871.db2.gz ZIRYOSKXMKYGMV-UHFFFAOYSA-N -1 3 334.832 2.696 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000953101981 1299240634 /nfs/dbraw/zinc/24/06/34/1299240634.db2.gz DATDIBUPMMLZPW-FQEVSTJZSA-N -1 3 342.439 2.669 20 30 EFEDHM Cc1cc(C#N)ccc1CN1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757370 1299869233 /nfs/dbraw/zinc/86/92/33/1299869233.db2.gz SICWLCZXNNQAKF-ABAIWWIYSA-N -1 3 339.361 2.756 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1ccc(F)cc1 ZINC000111992326 1300459371 /nfs/dbraw/zinc/45/93/71/1300459371.db2.gz OHPYJXCLYYHPHS-UHFFFAOYSA-N -1 3 342.370 2.721 20 30 EFEDHM N#CCCSc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000795318773 1300732662 /nfs/dbraw/zinc/73/26/62/1300732662.db2.gz NIGMECBUKUNFPV-CYBMUJFWSA-N -1 3 340.470 2.861 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccccc1[O-] ZINC000963436510 1300853874 /nfs/dbraw/zinc/85/38/74/1300853874.db2.gz UWSBYOORCXXWHZ-CVEARBPZSA-N -1 3 342.439 2.810 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000113852793 1301211865 /nfs/dbraw/zinc/21/18/65/1301211865.db2.gz IJXGCLZBBZXPKW-CQSZACIVSA-N -1 3 326.352 2.709 20 30 EFEDHM C=CCCO[N-]C(=O)C1(CC)CCN(C(=O)c2ccccc2)CC1 ZINC000856034946 1301212518 /nfs/dbraw/zinc/21/25/18/1301212518.db2.gz XVFNDQYNJOEDOV-UHFFFAOYSA-N -1 3 330.428 2.943 20 30 EFEDHM C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC001238235682 1313787947 /nfs/dbraw/zinc/78/79/47/1313787947.db2.gz WDRKRWLTQMAQBL-LPHOPBHVSA-N -1 3 349.402 2.850 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC000964727109 1302271539 /nfs/dbraw/zinc/27/15/39/1302271539.db2.gz CFRSYPUIYSLFAS-AWEZNQCLSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCN(CC(=O)OCC)Cc1c([O-])cccc1Br ZINC000862226429 1302313770 /nfs/dbraw/zinc/31/37/70/1302313770.db2.gz DPVZVQPQFWTQLE-UHFFFAOYSA-N -1 3 328.206 2.706 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3[O-])CC2)C1 ZINC000964763144 1302321825 /nfs/dbraw/zinc/32/18/25/1302321825.db2.gz IRFZRMCLSOCAOF-OAHLLOKOSA-N -1 3 342.439 2.859 20 30 EFEDHM C#CCCOc1ccc(CNC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000862432442 1302383386 /nfs/dbraw/zinc/38/33/86/1302383386.db2.gz CORQZXRUJWXILH-UHFFFAOYSA-N -1 3 325.412 2.918 20 30 EFEDHM CON(C)C(=O)CCC(C)N=Nc1nc2ccccc2[n-]c1=S ZINC000863125294 1302537118 /nfs/dbraw/zinc/53/71/18/1302537118.db2.gz SATVKHITUNUJIL-UHFFFAOYSA-N -1 3 333.417 2.880 20 30 EFEDHM COC(=O)C[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1cccc(C)c1 ZINC000864348281 1302895956 /nfs/dbraw/zinc/89/59/56/1302895956.db2.gz INJFAZQQPYGPBV-HQOKVJKCSA-N -1 3 342.395 2.620 20 30 EFEDHM C=C(C)C[C@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000864530395 1302965026 /nfs/dbraw/zinc/96/50/26/1302965026.db2.gz XJDYOUBWYOJNNV-ZDUSSCGKSA-N -1 3 338.770 2.569 20 30 EFEDHM COc1ccc(CC(=O)[N-]O[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000794719032 1303040493 /nfs/dbraw/zinc/04/04/93/1303040493.db2.gz FHAUHTDOJGZAIU-ZDUSSCGKSA-N -1 3 340.379 2.927 20 30 EFEDHM C[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000965266064 1303093735 /nfs/dbraw/zinc/09/37/35/1303093735.db2.gz FYKRFKOZKGQIGU-HNAYVOBHSA-N -1 3 349.434 2.904 20 30 EFEDHM C[C@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000965267820 1303095490 /nfs/dbraw/zinc/09/54/90/1303095490.db2.gz LXVFUQXADYPOFV-KXBFYZLASA-N -1 3 349.434 2.904 20 30 EFEDHM C[C@@H]1CCN(Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000965270300 1303096417 /nfs/dbraw/zinc/09/64/17/1303096417.db2.gz RALONOOYHHWTQV-DNVCBOLYSA-N -1 3 349.434 2.904 20 30 EFEDHM CCOC(=O)c1scnc1/C=C/C(=O)c1ccc([O-])c(OC)c1 ZINC000794933906 1303699543 /nfs/dbraw/zinc/69/95/43/1303699543.db2.gz NEPGCSSHCGDLCF-FNORWQNLSA-N -1 3 333.365 2.930 20 30 EFEDHM C=C(Br)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000121233872 1303790950 /nfs/dbraw/zinc/79/09/50/1303790950.db2.gz ZOWQAHINULBRFW-UHFFFAOYSA-N -1 3 348.624 2.929 20 30 EFEDHM CN(C)S(=O)(=O)c1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cc1 ZINC001240189372 1314001506 /nfs/dbraw/zinc/00/15/06/1314001506.db2.gz QBBDLUXVWAOBAW-ZCXUNETKSA-N -1 3 330.409 2.728 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1 ZINC000870140918 1305164548 /nfs/dbraw/zinc/16/45/48/1305164548.db2.gz PDFRIRQRZJAKGJ-NSHDSACASA-N -1 3 348.309 2.638 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C(F)F)c1 ZINC000870140917 1305165230 /nfs/dbraw/zinc/16/52/30/1305165230.db2.gz PDFRIRQRZJAKGJ-LLVKDONJSA-N -1 3 348.309 2.638 20 30 EFEDHM CN1CCN(C(=O)c2cccc(-c3cc(/C=N/[O-])ccc3F)c2)CC1 ZINC001241880936 1314161314 /nfs/dbraw/zinc/16/13/14/1314161314.db2.gz SPOHYIHPYLHCOD-FYJGNVAPSA-N -1 3 341.386 2.688 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066870700 1307407918 /nfs/dbraw/zinc/40/79/18/1307407918.db2.gz KHQQBPMKTKNROF-UHFFFAOYSA-N -1 3 332.444 2.915 20 30 EFEDHM C[C@@H](CNC(=O)c1ccccc1[O-])Nc1snc(Cl)c1C#N ZINC001097674982 1314190699 /nfs/dbraw/zinc/19/06/99/1314190699.db2.gz OOUNOGOBQOIXDV-QMMMGPOBSA-N -1 3 336.804 2.604 20 30 EFEDHM C[C@@H](CNC(=O)c1ccccc1[O-])Nc1nc(C#N)c(Cl)s1 ZINC001097675595 1314190763 /nfs/dbraw/zinc/19/07/63/1314190763.db2.gz WWGCLHMKDPDKAV-QMMMGPOBSA-N -1 3 336.804 2.604 20 30 EFEDHM N#Cc1cnc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC001260316022 1316331895 /nfs/dbraw/zinc/33/18/95/1316331895.db2.gz MECCKSULLFASOQ-UHFFFAOYSA-N -1 3 348.236 2.800 20 30 EFEDHM O=S(=O)([N-]CCF)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC001260945269 1316377306 /nfs/dbraw/zinc/37/73/06/1316377306.db2.gz JSOQFRRLVGFPHE-UHFFFAOYSA-N -1 3 339.232 2.972 20 30 EFEDHM N#Cc1c(COC(=O)c2cc(F)cc3[n-]nnc32)cn2ccccc12 ZINC000800258802 1307631464 /nfs/dbraw/zinc/63/14/64/1307631464.db2.gz FAFCNCANRWIAKU-UHFFFAOYSA-N -1 3 335.298 2.578 20 30 EFEDHM N#Cc1c(COC(=O)c2cc(F)cc3nn[n-]c32)cn2ccccc12 ZINC000800258802 1307631472 /nfs/dbraw/zinc/63/14/72/1307631472.db2.gz FAFCNCANRWIAKU-UHFFFAOYSA-N -1 3 335.298 2.578 20 30 EFEDHM N#Cc1c(COC(=O)c2cc(F)cc3n[n-]nc32)cn2ccccc12 ZINC000800258802 1307631481 /nfs/dbraw/zinc/63/14/81/1307631481.db2.gz FAFCNCANRWIAKU-UHFFFAOYSA-N -1 3 335.298 2.578 20 30 EFEDHM N#Cc1cccc(OCCCOC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000800262890 1307635671 /nfs/dbraw/zinc/63/56/71/1307635671.db2.gz UTALTZOHMAFNHN-UHFFFAOYSA-N -1 3 340.314 2.595 20 30 EFEDHM N#Cc1cccc(OCCCOC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000800262890 1307635674 /nfs/dbraw/zinc/63/56/74/1307635674.db2.gz UTALTZOHMAFNHN-UHFFFAOYSA-N -1 3 340.314 2.595 20 30 EFEDHM N#Cc1cccc(OCCCOC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800262890 1307635675 /nfs/dbraw/zinc/63/56/75/1307635675.db2.gz UTALTZOHMAFNHN-UHFFFAOYSA-N -1 3 340.314 2.595 20 30 EFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800531985 1308067167 /nfs/dbraw/zinc/06/71/67/1308067167.db2.gz NJXULVSPQVGSAP-SECBINFHSA-N -1 3 325.303 2.640 20 30 EFEDHM C[C@]1(NC(=O)c2ccccc2[O-])CCN(CC#Cc2ccccc2)C1 ZINC001046147730 1308322114 /nfs/dbraw/zinc/32/21/14/1308322114.db2.gz PHRWSNAUVBOQAJ-NRFANRHFSA-N -1 3 334.419 2.638 20 30 EFEDHM CCCCN([O-])C(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000900682707 1308522774 /nfs/dbraw/zinc/52/27/74/1308522774.db2.gz PEHVXMQDVWBXRT-LLVKDONJSA-N -1 3 341.205 2.893 20 30 EFEDHM COC([O-])=NC(=S)N(c1ccccc1N)C1=CC(=O)CC(C)(C)C1 ZINC001210155325 1314289121 /nfs/dbraw/zinc/28/91/21/1314289121.db2.gz HENHQRMJHKMSEH-UHFFFAOYSA-N -1 3 347.440 2.989 20 30 EFEDHM COC(=O)N=C([S-])N(c1ccccc1N)C1=CC(=O)CC(C)(C)C1 ZINC001210155325 1314289125 /nfs/dbraw/zinc/28/91/25/1314289125.db2.gz HENHQRMJHKMSEH-UHFFFAOYSA-N -1 3 347.440 2.989 20 30 EFEDHM Cc1cc(C#N)ccc1Nc1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001210377098 1314322868 /nfs/dbraw/zinc/32/28/68/1314322868.db2.gz ZORDINLKYUNSNH-UHFFFAOYSA-N -1 3 331.397 2.566 20 30 EFEDHM CCOC(=O)c1cnc(N=NC(C)c2ccc(F)c([O-])c2)nc1C ZINC000901210319 1309848388 /nfs/dbraw/zinc/84/83/88/1309848388.db2.gz KBJXJWYJNJTBCI-UHFFFAOYSA-N -1 3 332.335 2.643 20 30 EFEDHM CC(C)(C)N(c1ccc([O-])c(C#N)c1)S(=O)(=O)c1cccc(N)c1 ZINC001210529564 1314347162 /nfs/dbraw/zinc/34/71/62/1314347162.db2.gz RNKWHRHPSXPRMI-UHFFFAOYSA-N -1 3 345.424 2.840 20 30 EFEDHM CCOC(=O)c1ccc(Nc2ccc([O-])c(C#N)c2)c2c1OCCO2 ZINC001210535093 1314348275 /nfs/dbraw/zinc/34/82/75/1314348275.db2.gz YXVOVILIVBCDAY-UHFFFAOYSA-N -1 3 340.335 2.955 20 30 EFEDHM COCCOC1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000901372244 1310255539 /nfs/dbraw/zinc/25/55/39/1310255539.db2.gz BCJBJAXOVPQQFC-UHFFFAOYSA-N -1 3 325.380 2.765 20 30 EFEDHM Cc1sc2ncc(C(=O)N([O-])Cc3ccc(F)cc3)c(=O)n2c1C ZINC000901372132 1310255843 /nfs/dbraw/zinc/25/58/43/1310255843.db2.gz RTJAIKOOESCVIY-UHFFFAOYSA-N -1 3 347.371 2.544 20 30 EFEDHM C[C@H]1Oc2c(cccc2C(=O)N([O-])Cc2ccc(F)cc2)NC1=O ZINC000901374787 1310263691 /nfs/dbraw/zinc/26/36/91/1310263691.db2.gz RXUVWLIVYNTRJA-SNVBAGLBSA-N -1 3 330.315 2.577 20 30 EFEDHM O=C(c1ccc2c(c1)NC(=O)CS2)N([O-])Cc1ccc(F)cc1 ZINC000901378041 1310272327 /nfs/dbraw/zinc/27/23/27/1310272327.db2.gz ASSAGCQZOZTCPV-UHFFFAOYSA-N -1 3 332.356 2.902 20 30 EFEDHM C=C1CCC(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001012326389 1310994022 /nfs/dbraw/zinc/99/40/22/1310994022.db2.gz OYAPVMMIJQLUFZ-GDBMZVCRSA-N -1 3 342.439 2.858 20 30 EFEDHM C=CCOC[C@@H](NCc1cc(C)c(C)cc1OC(F)F)C(=O)[O-] ZINC000901810108 1311055512 /nfs/dbraw/zinc/05/55/12/1311055512.db2.gz IWAFGXGHFLWFKK-CYBMUJFWSA-N -1 3 329.343 2.650 20 30 EFEDHM Cc1ccc(C#N)c(N[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C)n1 ZINC001067038902 1311140676 /nfs/dbraw/zinc/14/06/76/1311140676.db2.gz WZQRYQTVLXGTBH-LRDDRELGSA-N -1 3 336.395 2.540 20 30 EFEDHM C=CC[C@H](NCc1c([O-])cccc1Br)C(=O)OCC ZINC001330096740 1311190939 /nfs/dbraw/zinc/19/09/39/1311190939.db2.gz AEUGJXRNPAANQK-LBPRGKRZSA-N -1 3 328.206 2.752 20 30 EFEDHM C=C(Cl)C[C@H](NCc1c(C(C)C)nc2sc(C)nn21)C(=O)[O-] ZINC000901940670 1311219817 /nfs/dbraw/zinc/21/98/17/1311219817.db2.gz PTGXUAOJLPUUDP-JTQLQIEISA-N -1 3 342.852 2.908 20 30 EFEDHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)OC3CC(C#N)C3)nc21 ZINC001223404570 1311256390 /nfs/dbraw/zinc/25/63/90/1311256390.db2.gz UCKGHZQIPSDGGP-GKHYQBCPSA-N -1 3 337.738 2.987 20 30 EFEDHM COC(=O)c1cccc2nc([C@](F)(Cl)OC3CC(C#N)C3)[n-]c21 ZINC001223404570 1311256392 /nfs/dbraw/zinc/25/63/92/1311256392.db2.gz UCKGHZQIPSDGGP-GKHYQBCPSA-N -1 3 337.738 2.987 20 30 EFEDHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)OC3CC(C#N)C3)nc21 ZINC001223404571 1311256516 /nfs/dbraw/zinc/25/65/16/1311256516.db2.gz UCKGHZQIPSDGGP-WDQARJOWSA-N -1 3 337.738 2.987 20 30 EFEDHM COC(=O)c1cccc2nc([C@@](F)(Cl)OC3CC(C#N)C3)[n-]c21 ZINC001223404571 1311256518 /nfs/dbraw/zinc/25/65/18/1311256518.db2.gz UCKGHZQIPSDGGP-WDQARJOWSA-N -1 3 337.738 2.987 20 30 EFEDHM COC(=O)c1cccc2[n-]c([C@@](F)(Cl)O[C@H]3C=CC(=O)C3)nc21 ZINC001223404143 1311256527 /nfs/dbraw/zinc/25/65/27/1311256527.db2.gz QMLVHBMZWCPPLF-VFZGTOFNSA-N -1 3 338.722 2.582 20 30 EFEDHM COC(=O)c1cccc2nc([C@@](F)(Cl)O[C@H]3C=CC(=O)C3)[n-]c21 ZINC001223404143 1311256528 /nfs/dbraw/zinc/25/65/28/1311256528.db2.gz QMLVHBMZWCPPLF-VFZGTOFNSA-N -1 3 338.722 2.582 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001014180726 1311389465 /nfs/dbraw/zinc/38/94/65/1311389465.db2.gz INGJIEOHGJLARJ-OXJNMPFZSA-N -1 3 342.439 2.858 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[n-]1 ZINC001225466864 1311527398 /nfs/dbraw/zinc/52/73/98/1311527398.db2.gz HSPOLDLRKYXFAN-NEPJUHHUSA-N -1 3 333.388 2.744 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC001225466706 1311527447 /nfs/dbraw/zinc/52/74/47/1311527447.db2.gz GFDLRNXCMQUDQO-NSHDSACASA-N -1 3 333.388 2.602 20 30 EFEDHM CC(=O)c1ccc([O-])c(OC2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC001225993682 1311599117 /nfs/dbraw/zinc/59/91/17/1311599117.db2.gz JKOIYHCOXXHDOQ-UHFFFAOYSA-N -1 3 337.379 2.909 20 30 EFEDHM CC(=O)c1ccc([O-])c(O[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC001225998535 1311599741 /nfs/dbraw/zinc/59/97/41/1311599741.db2.gz MNEKMZUMPCKDRF-XJKSGUPXSA-N -1 3 346.383 2.733 20 30 EFEDHM Cc1cc(N2CC[C@@H](Oc3cccc(/C=N/[O-])c3)C2)nc(Cl)n1 ZINC001226114243 1311615557 /nfs/dbraw/zinc/61/55/57/1311615557.db2.gz ICQBRDMUYGSOEP-UHPUNMKFSA-N -1 3 332.791 2.904 20 30 EFEDHM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1cccc(/C=N/[O-])c1 ZINC001226115240 1311615622 /nfs/dbraw/zinc/61/56/22/1311615622.db2.gz ZHTPFYLRRVBCLX-FJDXSKQTSA-N -1 3 325.405 2.719 20 30 EFEDHM [O-]/N=C/c1ccnc(O[C@H]2Cc3ccc(Br)cc3C2)n1 ZINC001226254136 1311638100 /nfs/dbraw/zinc/63/81/00/1311638100.db2.gz RZBFAGNAHBWVIF-TVYFDWKESA-N -1 3 334.173 2.593 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001160174768 1311659683 /nfs/dbraw/zinc/65/96/83/1311659683.db2.gz NUMPRWNLZMVVHB-UFBFGSQYSA-N -1 3 341.745 2.763 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(F)ccc1-c1ccc(Cl)nn1 ZINC001160176421 1311660161 /nfs/dbraw/zinc/66/01/61/1311660161.db2.gz QNXUHGSRWJHYSS-RTHLEPHNSA-N -1 3 336.754 2.584 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(-c2ccc(Cl)nn2)ccc1F ZINC001160176352 1311660297 /nfs/dbraw/zinc/66/02/97/1311660297.db2.gz NMRBDGYZGIGVLD-RTHLEPHNSA-N -1 3 336.754 2.584 20 30 EFEDHM C=CCOCC(COCC=C)Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226597491 1311694644 /nfs/dbraw/zinc/69/46/44/1311694644.db2.gz UOKHZNVXZZNLDA-UHFFFAOYSA-N -1 3 332.352 2.651 20 30 EFEDHM CCOC(=O)c1ccc2nc(OC3=C(CC)O[C@H](C)C3=O)[n-]c2c1 ZINC001227702826 1311842231 /nfs/dbraw/zinc/84/22/31/1311842231.db2.gz XDLHJEJRDHYITQ-SECBINFHSA-N -1 3 330.340 2.728 20 30 EFEDHM CCOC(=O)c1ccc2[n-]c(OC3=C(CC)O[C@H](C)C3=O)nc2c1 ZINC001227702826 1311842233 /nfs/dbraw/zinc/84/22/33/1311842233.db2.gz XDLHJEJRDHYITQ-SECBINFHSA-N -1 3 330.340 2.728 20 30 EFEDHM C=C1O[C@@H](CC)C(=O)C1Oc1nc2cc(C(=O)OCC)ccc2[n-]1 ZINC001227707487 1311843310 /nfs/dbraw/zinc/84/33/10/1311843310.db2.gz RJIAPIHXCOIXQO-ZDUSSCGKSA-N -1 3 330.340 2.728 20 30 EFEDHM C=C1O[C@@H](C)C(=O)C1Oc1c(C(=O)c2ccccc2)ccc([O-])c1O ZINC001227937868 1311876829 /nfs/dbraw/zinc/87/68/29/1311876829.db2.gz OFJLCWZWBWCULP-JTQLQIEISA-N -1 3 340.331 2.927 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2ncc(Cl)cc2[O-])C[C@H]1C#N ZINC001227979376 1311882747 /nfs/dbraw/zinc/88/27/47/1311882747.db2.gz CSWVPMNXMJNJDP-WDEREUQCSA-N -1 3 339.779 2.721 20 30 EFEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1ncc(Cl)cc1[O-] ZINC001227983103 1311884156 /nfs/dbraw/zinc/88/41/56/1311884156.db2.gz MKLXIERQRCKXPV-GFCCVEGCSA-N -1 3 327.840 2.632 20 30 EFEDHM C=CCOCC(COCC=C)Oc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001228629034 1311972700 /nfs/dbraw/zinc/97/27/00/1311972700.db2.gz MTLYMYZJGVYANX-UHFFFAOYSA-N -1 3 346.379 2.960 20 30 EFEDHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C#N)c1cccc(F)c1 ZINC001228716542 1311987387 /nfs/dbraw/zinc/98/73/87/1311987387.db2.gz QDYKNRSEXBHCJR-ZDUSSCGKSA-N -1 3 347.371 2.654 20 30 EFEDHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C#N)c1ccccc1F ZINC001228716050 1311987576 /nfs/dbraw/zinc/98/75/76/1311987576.db2.gz LVRYFFVIILSIRA-ZDUSSCGKSA-N -1 3 347.371 2.654 20 30 EFEDHM CCOC([O-])=NC(=S)Nc1ncccc1NCC1(C#N)CCC1 ZINC001162416709 1312101578 /nfs/dbraw/zinc/10/15/78/1312101578.db2.gz FTVYGJRLUSWBCR-UHFFFAOYSA-N -1 3 333.417 2.630 20 30 EFEDHM CCOC(=O)[N-]C(=S)Nc1ncccc1NCC1(C#N)CCC1 ZINC001162416709 1312101582 /nfs/dbraw/zinc/10/15/82/1312101582.db2.gz FTVYGJRLUSWBCR-UHFFFAOYSA-N -1 3 333.417 2.630 20 30 EFEDHM Cc1ccc(C(=O)c2ccc([O-])c(OC3CN(CCC#N)C3)c2)cc1 ZINC001229539688 1312111283 /nfs/dbraw/zinc/11/12/83/1312111283.db2.gz WRIHRLXUDROISD-UHFFFAOYSA-N -1 3 336.391 2.908 20 30 EFEDHM CCOC1CC(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000802945871 1312149309 /nfs/dbraw/zinc/14/93/09/1312149309.db2.gz NKFIHOKDLPNKTH-UHFFFAOYSA-N -1 3 332.400 2.567 20 30 EFEDHM CCC[C@@H](C#Cc1ccccc1)Oc1[n-]c(=O)ncc1C(=O)OC ZINC001229870393 1312152364 /nfs/dbraw/zinc/15/23/64/1312152364.db2.gz IZTVCIZFINBWGH-AWEZNQCLSA-N -1 3 326.352 2.568 20 30 EFEDHM O=S1(=O)CC[C@@H](Oc2ccccc2/C=N/c2ccccc2[O-])C1 ZINC001229932732 1312160988 /nfs/dbraw/zinc/16/09/88/1312160988.db2.gz HCCAKEYQJRPTEJ-XWAFYUISSA-N -1 3 331.393 2.709 20 30 EFEDHM C#C[C@@H]1CCC[C@@H]1Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230185123 1312200861 /nfs/dbraw/zinc/20/08/61/1312200861.db2.gz AIBUVFZSEWQKEK-APWZRJJASA-N -1 3 349.434 2.921 20 30 EFEDHM C[C@@]1(CS(=O)(=O)[N-][C@H](C#N)C2CCCCC2)CC1(Cl)Cl ZINC000903102239 1312355971 /nfs/dbraw/zinc/35/59/71/1312355971.db2.gz MMRFRXNZDCHASZ-NEPJUHHUSA-N -1 3 339.288 2.962 20 30 EFEDHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1[nH]c2ccccc2c1C#N ZINC000903180139 1312435788 /nfs/dbraw/zinc/43/57/88/1312435788.db2.gz XPIWKXFYZCJMOD-LBPRGKRZSA-N -1 3 335.429 2.842 20 30 EFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CC[C@H]3CCCO[C@H]3C2)n1 ZINC001165329613 1312610348 /nfs/dbraw/zinc/61/03/48/1312610348.db2.gz BDCXYRMJBSPIAT-SLLWVLFHSA-N -1 3 342.852 2.665 20 30 EFEDHM N#C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(Cl)cc1 ZINC000118335047 1314463218 /nfs/dbraw/zinc/46/32/18/1314463218.db2.gz NFUZBZXIDQAPHX-CQSZACIVSA-N -1 3 338.754 2.571 20 30 EFEDHM CC(C)(C)C(=O)Nc1ccc(/C=N/[O-])nc1-c1cnc(N)c(F)c1 ZINC001245518166 1314502789 /nfs/dbraw/zinc/50/27/89/1314502789.db2.gz LPKPZDQBVLOOOD-DNTJNYDQSA-N -1 3 331.351 2.658 20 30 EFEDHM COC(=O)c1cc([O-])c(F)cc1NC(=S)Nc1ccc(C#N)cc1 ZINC001245924763 1314550460 /nfs/dbraw/zinc/55/04/60/1314550460.db2.gz XCLQNLVJBQIKCA-UHFFFAOYSA-N -1 3 345.355 2.998 20 30 EFEDHM C=CCOc1ccc(-c2noc(-c3ccc([O-])c(=O)[nH]3)n2)c(F)c1 ZINC001214538409 1314704953 /nfs/dbraw/zinc/70/49/53/1314704953.db2.gz ZZGJTODFUHSHFD-UHFFFAOYSA-N -1 3 329.287 2.914 20 30 EFEDHM CC(C)Oc1ccc(F)c([N-]c2nc(C#N)c(C#N)nc2N)c1F ZINC001215172620 1314793396 /nfs/dbraw/zinc/79/33/96/1314793396.db2.gz HLADYALBDUFJGR-UHFFFAOYSA-N -1 3 330.298 2.611 20 30 EFEDHM N#Cc1cccc(-c2noc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001247999154 1314880328 /nfs/dbraw/zinc/88/03/28/1314880328.db2.gz HWRBUJKXZCZSSH-UHFFFAOYSA-N -1 3 335.279 2.769 20 30 EFEDHM N#Cc1ccc([O-])c(Nc2cc(F)ccc2CN2CCOCC2)c1 ZINC001215820643 1314882844 /nfs/dbraw/zinc/88/28/44/1314882844.db2.gz QITSDSDHWSKZMR-UHFFFAOYSA-N -1 3 327.359 2.979 20 30 EFEDHM CCOC(=O)[C@H](C)n1cc([N-]c2onc(C(C)(C)C)c2C#N)cn1 ZINC001216692526 1314995223 /nfs/dbraw/zinc/99/52/23/1314995223.db2.gz RCRGFZNYXFXEPB-JTQLQIEISA-N -1 3 331.376 2.908 20 30 EFEDHM C=CCc1cccc(-c2nc3cc(S(N)(=O)=O)c(C)cc3[nH]2)c1[O-] ZINC001250712309 1315248581 /nfs/dbraw/zinc/24/85/81/1315248581.db2.gz FKQDHARZJKPBMA-UHFFFAOYSA-N -1 3 343.408 2.620 20 30 EFEDHM O=C1CCCN1Cc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC001251293393 1315338160 /nfs/dbraw/zinc/33/81/60/1315338160.db2.gz VWMCPWFDYZTYFX-UHFFFAOYSA-N -1 3 326.352 2.676 20 30 EFEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(CC#N)c2)cc1 ZINC001251848729 1315381609 /nfs/dbraw/zinc/38/16/09/1315381609.db2.gz BXKJISPIIJXTRP-UHFFFAOYSA-N -1 3 347.371 2.651 20 30 EFEDHM N#Cc1ccc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2ccccc2[O-])C3)cn1 ZINC001054799241 1315576780 /nfs/dbraw/zinc/57/67/80/1315576780.db2.gz PQMQOILYIQGRNK-JQFCIGGWSA-N -1 3 348.406 2.764 20 30 EFEDHM CC#CCCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001051355186 1315854466 /nfs/dbraw/zinc/85/44/66/1315854466.db2.gz KRAVOUKWDWZUQJ-JKSUJKDBSA-N -1 3 342.439 2.553 20 30 EFEDHM Cc1nc(NC[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)ccc1C#N ZINC001068440071 1316111627 /nfs/dbraw/zinc/11/16/27/1316111627.db2.gz BMDPKTHNONMPMN-CTYIDZIISA-N -1 3 336.395 2.588 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccnc2)C(F)(F)F)cc1 ZINC001258142840 1316124553 /nfs/dbraw/zinc/12/45/53/1316124553.db2.gz CIAHBUPBWGBRMH-ZDUSSCGKSA-N -1 3 341.314 2.535 20 30 EFEDHM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]C1(C#N)CCCCC1)C(=O)C2 ZINC001258989306 1316199532 /nfs/dbraw/zinc/19/95/32/1316199532.db2.gz QRCKWNRHIXOWMT-CXAGYDPISA-N -1 3 338.473 2.528 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1F ZINC001259043156 1316201736 /nfs/dbraw/zinc/20/17/36/1316201736.db2.gz FWFUJAJMZWDKLK-UHFFFAOYSA-N -1 3 344.289 2.593 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)s1 ZINC001259043039 1316202049 /nfs/dbraw/zinc/20/20/49/1316202049.db2.gz BZYBYRWASXKWOD-UHFFFAOYSA-N -1 3 332.328 2.516 20 30 EFEDHM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC001259062142 1316202970 /nfs/dbraw/zinc/20/29/70/1316202970.db2.gz OLYSDVRXSUYBLL-SNVBAGLBSA-N -1 3 337.264 2.871 20 30 EFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)ccc1F ZINC001259417407 1316239948 /nfs/dbraw/zinc/23/99/48/1316239948.db2.gz JPUQUHXNIOBWQB-UHFFFAOYSA-N -1 3 337.282 2.648 20 30 EFEDHM COC(=O)c1cc([N-]S(=O)(=O)CC2CCCCC2)ccc1C#N ZINC001259619143 1316262961 /nfs/dbraw/zinc/26/29/61/1316262961.db2.gz BAHVJYRPXYSOOW-UHFFFAOYSA-N -1 3 336.413 2.667 20 30 EFEDHM C=CCS(=O)(=O)[N-]c1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC001259929682 1316299097 /nfs/dbraw/zinc/29/90/97/1316299097.db2.gz PMLRXHJJIXDQDR-UHFFFAOYSA-N -1 3 338.429 2.912 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2ccc(-c3nnco3)cc2)cc1 ZINC001260044376 1316310515 /nfs/dbraw/zinc/31/05/15/1316310515.db2.gz RPKNNYRNKNFROX-UHFFFAOYSA-N -1 3 340.364 2.550 20 30 EFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC001260373774 1316335912 /nfs/dbraw/zinc/33/59/12/1316335912.db2.gz QCFHEXKIMMQOGD-UHFFFAOYSA-N -1 3 331.180 2.937 20 30 EFEDHM CCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001260381850 1316336035 /nfs/dbraw/zinc/33/60/35/1316336035.db2.gz VWSGHFVHAUPUHW-GFCCVEGCSA-N -1 3 349.225 2.949 20 30 EFEDHM Cn1cnc(C#N)c1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC001261077154 1316388655 /nfs/dbraw/zinc/38/86/55/1316388655.db2.gz MYKSDJWZNLMNTP-UHFFFAOYSA-N -1 3 345.211 2.540 20 30 EFEDHM O=C(c1ccccc1[O-])N1CC2(C1)CCN(CC#Cc1ccccc1)C2 ZINC001072491532 1316390496 /nfs/dbraw/zinc/39/04/96/1316390496.db2.gz XZIMHWHDHZAVBD-UHFFFAOYSA-N -1 3 346.430 2.592 20 30 EFEDHM C=CCCC1(C(=O)N2C[C@H](NC(=O)c3ccccc3[O-])[C@@H](C)C2)CC1 ZINC001072685322 1316407906 /nfs/dbraw/zinc/40/79/06/1316407906.db2.gz RRILRYQQYSAIMJ-HOCLYGCPSA-N -1 3 342.439 2.715 20 30 EFEDHM C=CCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001073314647 1316447953 /nfs/dbraw/zinc/44/79/53/1316447953.db2.gz FZUGMTVMJBKJET-INIZCTEOSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001262988301 1316513368 /nfs/dbraw/zinc/51/33/68/1316513368.db2.gz PGQCSQZGLJCEAD-CQSZACIVSA-N -1 3 340.431 2.562 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001263285290 1316526700 /nfs/dbraw/zinc/52/67/00/1316526700.db2.gz CSGAFOITPFDMGN-BETUJISGSA-N -1 3 342.447 2.808 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCCCCCC1 ZINC001263316345 1316529776 /nfs/dbraw/zinc/52/97/76/1316529776.db2.gz RPLNQBYWPTYENA-UHFFFAOYSA-N -1 3 328.420 2.787 20 30 EFEDHM Cc1ccn2cc(C([O-])=C(C#N)c3nc(N)c4ccccc4n3)nc2c1 ZINC001263375508 1316539184 /nfs/dbraw/zinc/53/91/84/1316539184.db2.gz QXHJHWACQMIAJZ-CYBMUJFWSA-N -1 3 342.362 2.658 20 30 EFEDHM N#Cc1cccnc1N[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001041546905 1316585475 /nfs/dbraw/zinc/58/54/75/1316585475.db2.gz GQHWNTGQLHHCIK-SJORKVTESA-N -1 3 348.406 2.812 20 30 EFEDHM N#Cc1ccc(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C23CCC3)cn1 ZINC001041550078 1316586807 /nfs/dbraw/zinc/58/68/07/1316586807.db2.gz VYRWALJZJPJNIG-ROUUACIJSA-N -1 3 348.406 2.812 20 30 EFEDHM C=C[C@H](COC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001320293920 1329108015 /nfs/dbraw/zinc/10/80/15/1329108015.db2.gz FGWFIILBXWCHCN-SECBINFHSA-N -1 3 343.754 2.838 20 30 EFEDHM C=CCCN(OCc1ccccc1)C(=O)CCc1c(C)nc[n-]c1=O ZINC001324348899 1329618548 /nfs/dbraw/zinc/61/85/48/1329618548.db2.gz RRGSZEAPSOLDQH-UHFFFAOYSA-N -1 3 341.411 2.960 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(C(C)(C)C)o2)ccc1F ZINC001326282480 1329743965 /nfs/dbraw/zinc/74/39/65/1329743965.db2.gz APRLYDIALDTQDB-UHFFFAOYSA-N -1 3 339.392 2.638 20 30 EFEDHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cc2o1 ZINC001326318492 1329747021 /nfs/dbraw/zinc/74/70/21/1329747021.db2.gz KSOLVRTZATUWOQ-UHFFFAOYSA-N -1 3 331.328 2.948 20 30 EFEDHM C=CCCn1cc(CNC[C@@H](Cc2ccccc2Cl)C(=O)[O-])nn1 ZINC001327066836 1330408460 /nfs/dbraw/zinc/40/84/60/1330408460.db2.gz OPOWVQRAPNPIDE-CQSZACIVSA-N -1 3 348.834 2.541 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001328002332 1330540269 /nfs/dbraw/zinc/54/02/69/1330540269.db2.gz YVAJHKAFBYOUCF-QMMMGPOBSA-N -1 3 340.754 2.834 20 30 EFEDHM CC(C)c1ccc(C2(C(=O)N[C@H]3CCCN([O-])C3=O)CCC2)cc1 ZINC001329916643 1330750019 /nfs/dbraw/zinc/75/00/19/1330750019.db2.gz VUTAACHTBLORIE-INIZCTEOSA-N -1 3 330.428 2.728 20 30 EFEDHM C=C(C)C[C@H](NCc1cccc(Cl)c1S(=O)(=O)CC)C(=O)[O-] ZINC001331845516 1330880505 /nfs/dbraw/zinc/88/05/05/1330880505.db2.gz KIRNLIAZCOCZIW-ZDUSSCGKSA-N -1 3 345.848 2.643 20 30 EFEDHM CC#CC[C@@H](NCc1cccc(F)c1OCC(F)(F)F)C(=O)[O-] ZINC001333185501 1331090410 /nfs/dbraw/zinc/09/04/10/1331090410.db2.gz MJEZOTSNRIPJFA-GFCCVEGCSA-N -1 3 333.281 2.723 20 30 EFEDHM C#CCOc1ccccc1CNC[C@H](CCC(=O)[O-])C(F)(F)F ZINC001334841481 1331315071 /nfs/dbraw/zinc/31/50/71/1331315071.db2.gz NOZFWGNSDANYPW-ZDUSSCGKSA-N -1 3 329.318 2.832 20 30 EFEDHM C=C(C)CCC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC001337025133 1331528629 /nfs/dbraw/zinc/52/86/29/1331528629.db2.gz ANXWJEZQLGKXBS-UHFFFAOYSA-N -1 3 326.418 2.752 20 30 EFEDHM CN(C)Cc1cc(C(=O)[N-]c2ccccc2SCCC#N)no1 ZINC001337761683 1331597515 /nfs/dbraw/zinc/59/75/15/1331597515.db2.gz FVMHULJPQPTVKB-UHFFFAOYSA-N -1 3 330.413 2.994 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CCC)CC1CC1 ZINC001339195790 1331814029 /nfs/dbraw/zinc/81/40/29/1331814029.db2.gz IQDHYUGRYMDGQO-UHFFFAOYSA-N -1 3 328.420 2.562 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001339194082 1331814573 /nfs/dbraw/zinc/81/45/73/1331814573.db2.gz BPAUGVQVHJCTQR-ZFWWWQNUSA-N -1 3 340.431 2.704 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CCOC)n2CC)c1[O-] ZINC001339650927 1331920501 /nfs/dbraw/zinc/92/05/01/1331920501.db2.gz GXKUITMZECSRAK-UHFFFAOYSA-N -1 3 330.432 2.872 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCOC(C)(C)C3)n2C)c1[O-] ZINC001340143866 1332144919 /nfs/dbraw/zinc/14/49/19/1332144919.db2.gz WASKXJLDXHUPLW-UHFFFAOYSA-N -1 3 342.443 2.922 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCCC[C@@H](C)C1 ZINC001342024784 1332296025 /nfs/dbraw/zinc/29/60/25/1332296025.db2.gz HMANTFAUATURFA-CYBMUJFWSA-N -1 3 328.420 2.643 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(CC)CCC1CC1 ZINC001342024741 1332296186 /nfs/dbraw/zinc/29/61/86/1332296186.db2.gz FZNAEKAEIZHVJT-UHFFFAOYSA-N -1 3 328.420 2.643 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cncc(OCC(F)F)c1 ZINC001343455635 1332348339 /nfs/dbraw/zinc/34/83/39/1332348339.db2.gz FGXCFJDLZPNFFH-CQSZACIVSA-N -1 3 345.305 2.687 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](C2CCC2)C1 ZINC001343670596 1332368130 /nfs/dbraw/zinc/36/81/30/1332368130.db2.gz XRXNUIBECYLDEY-AWEZNQCLSA-N -1 3 340.431 2.643 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(C)C ZINC001344334217 1332443281 /nfs/dbraw/zinc/44/32/81/1332443281.db2.gz GVLFJSADFUQLQM-QMMMGPOBSA-N -1 3 340.754 2.690 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C2CCC2)c1 ZINC001346239516 1332615656 /nfs/dbraw/zinc/61/56/56/1332615656.db2.gz KYKUUMLLHPYKOG-CQSZACIVSA-N -1 3 338.367 2.578 20 30 EFEDHM C=CCO[C@@H]1CCN(Cc2oc(-c3ccccc3)nc2C(=O)[O-])C1 ZINC001349591005 1332973429 /nfs/dbraw/zinc/97/34/29/1332973429.db2.gz FDYJPBIJQACTSY-CQSZACIVSA-N -1 3 328.368 2.817 20 30 EFEDHM C=CCC1(C(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)CCCCC1 ZINC001350439754 1333083026 /nfs/dbraw/zinc/08/30/26/1333083026.db2.gz KZLGJGJEJFNJQE-HNNXBMFYSA-N -1 3 344.459 2.712 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(Cc1ccccc1)C1CC1 ZINC001351790966 1333287826 /nfs/dbraw/zinc/28/78/26/1333287826.db2.gz YLGVBDWFAMZZKW-UHFFFAOYSA-N -1 3 337.383 2.994 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C[C@H]1CC=CCC1 ZINC001352063347 1333369927 /nfs/dbraw/zinc/36/99/27/1333369927.db2.gz QVRAKSJTSRWOBA-AWEZNQCLSA-N -1 3 340.431 2.728 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1c(Cl)cc(Cl)cc1Cl ZINC000848131282 1334343946 /nfs/dbraw/zinc/34/39/46/1334343946.db2.gz BYTFPMHQNJHMGN-VIFPVBQESA-N -1 3 337.590 2.757 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1NC1CCCCC1 ZINC000848132589 1334345086 /nfs/dbraw/zinc/34/50/86/1334345086.db2.gz NWNWBMHYKXHFKE-INIZCTEOSA-N -1 3 331.416 2.541 20 30 EFEDHM Cc1nc(-c2ccccc2C)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848134348 1334347456 /nfs/dbraw/zinc/34/74/56/1334347456.db2.gz SIXYBNGVTMGHJE-CYBMUJFWSA-N -1 3 345.424 2.537 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1sc2cc(F)ccc2c1Cl ZINC000848137280 1334349365 /nfs/dbraw/zinc/34/93/65/1334349365.db2.gz CGLQHJRPIMVEIS-SECBINFHSA-N -1 3 342.779 2.804 20 30 EFEDHM C[C@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1c(Cl)cccc1Cl ZINC000848139334 1334352592 /nfs/dbraw/zinc/35/25/92/1334352592.db2.gz UEXBAJJEFIJKSQ-KWQFWETISA-N -1 3 331.199 2.593 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CC3(C)COC3)n2C)c1[O-] ZINC001355744344 1334861817 /nfs/dbraw/zinc/86/18/17/1334861817.db2.gz HISRRDFDASSSIN-UHFFFAOYSA-N -1 3 342.443 2.779 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H](CC)C1 ZINC001355957504 1334917865 /nfs/dbraw/zinc/91/78/65/1334917865.db2.gz HBHVZLYJWUUULT-AWEZNQCLSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001355958937 1334918440 /nfs/dbraw/zinc/91/84/40/1334918440.db2.gz VFPIBRBXSHNNKJ-RWMBFGLXSA-N -1 3 342.447 2.806 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001356139757 1334969945 /nfs/dbraw/zinc/96/99/45/1334969945.db2.gz NKYQAYPRRKYIKM-YPMHNXCESA-N -1 3 328.420 2.560 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCc2sccc2C1 ZINC001356462749 1335040220 /nfs/dbraw/zinc/04/02/20/1335040220.db2.gz GMGMIUZEUTYAQL-UHFFFAOYSA-N -1 3 343.412 2.839 20 30 EFEDHM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)c2nccn2C)o1 ZINC001356579397 1335056718 /nfs/dbraw/zinc/05/67/18/1335056718.db2.gz ZYRYNNYHLBSRQC-LBPRGKRZSA-N -1 3 341.396 2.529 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCCCCC#N)c(Cl)c1 ZINC001357523978 1335312702 /nfs/dbraw/zinc/31/27/02/1335312702.db2.gz BSVACFQMGWNHIV-UHFFFAOYSA-N -1 3 330.793 2.562 20 30 EFEDHM C=C1CCC(C(=O)N2CC[C@H](N(C)C(=O)c3ccccc3[O-])C2)CC1 ZINC000939465519 1335885696 /nfs/dbraw/zinc/88/56/96/1335885696.db2.gz AQBVRNKRVANARJ-INIZCTEOSA-N -1 3 342.439 2.812 20 30 EFEDHM CCOc1cc(C(=O)[N-]c2cccc(C#N)c2Br)on1 ZINC001361410890 1336060387 /nfs/dbraw/zinc/06/03/87/1336060387.db2.gz GWUPVLDMJYQMRV-UHFFFAOYSA-N -1 3 336.145 2.960 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(C2CCC2)c1 ZINC001361545806 1336167638 /nfs/dbraw/zinc/16/76/38/1336167638.db2.gz RENAIKUGXNVTQG-UHFFFAOYSA-N -1 3 339.399 2.769 20 30 EFEDHM C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC001363507087 1336908651 /nfs/dbraw/zinc/90/86/51/1336908651.db2.gz VBAKBHIPMVEOQX-HNAYVOBHSA-N -1 3 349.434 2.904 20 30 EFEDHM CCN(CCNC(=O)c1ccccc1[O-])Cc1cc(C#N)ccc1F ZINC001399690620 1361430453 /nfs/dbraw/zinc/43/04/53/1361430453.db2.gz PLEMGEKNBGXJKW-UHFFFAOYSA-N -1 3 341.386 2.655 20 30 EFEDHM CN(CCN(C)C(=O)c1ccccc1[O-])Cc1ccc(F)c(C#N)c1 ZINC001406076003 1367188036 /nfs/dbraw/zinc/18/80/36/1367188036.db2.gz NXPIYPHYFTZRBC-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1c(Cl)cc(C#N)cc1Cl)C2 ZINC001434242704 1387111265 /nfs/dbraw/zinc/11/12/65/1387111265.db2.gz IEYZCXXEYXFDPN-UHFFFAOYSA-N -1 3 349.177 2.825 20 30 EFEDHM C[C@H](Nc1cccc(F)c1C#N)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001458453872 1395472262 /nfs/dbraw/zinc/47/22/62/1395472262.db2.gz DNDBKIHVMSLNCE-QWRGUYRKSA-N -1 3 328.347 2.873 20 30 EFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC001463137576 1396474966 /nfs/dbraw/zinc/47/49/66/1396474966.db2.gz PMWKWBOFTPQHKF-UHFFFAOYSA-N -1 3 332.155 2.972 20 30 EFEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001463830546 1396523740 /nfs/dbraw/zinc/52/37/40/1396523740.db2.gz RGIGHLXFDVPZKS-HNNXBMFYSA-N -1 3 332.367 2.578 20 30 EFEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001463830546 1396523741 /nfs/dbraw/zinc/52/37/41/1396523741.db2.gz RGIGHLXFDVPZKS-HNNXBMFYSA-N -1 3 332.367 2.578 20 30 EFEDHM N#Cc1cc(Cl)c(C(=O)[N-]c2nn3cnnc3s2)c(Cl)c1 ZINC001557957918 1415152325 /nfs/dbraw/zinc/15/23/25/1415152325.db2.gz MKQMUZNOAGZPEH-UHFFFAOYSA-N -1 3 339.167 2.617 20 30 EFEDHM C=CCCCCCN(C)[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735407896 1429055090 /nfs/dbraw/zinc/05/50/90/1429055090.db2.gz AOXCJGMWDFEEEA-AWEZNQCLSA-N -1 3 342.447 2.872 20 30 EFEDHM CSc1ccc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)o1 ZINC000178013085 1424577346 /nfs/dbraw/zinc/57/73/46/1424577346.db2.gz GADCZTVNDMJVFI-UHFFFAOYSA-N -1 3 339.380 2.765 20 30 EFEDHM C=CCN(CCc1ccco1)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000823909643 1426311582 /nfs/dbraw/zinc/31/15/82/1426311582.db2.gz MEQQFIPAYHSPSW-UHFFFAOYSA-N -1 3 339.399 2.699 20 30 EFEDHM C=CCN(CCc1ccco1)Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000823909643 1426311589 /nfs/dbraw/zinc/31/15/89/1426311589.db2.gz MEQQFIPAYHSPSW-UHFFFAOYSA-N -1 3 339.399 2.699 20 30 EFEDHM C#CCOc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823856795 1429902998 /nfs/dbraw/zinc/90/29/98/1429902998.db2.gz YJACXHFQMIXPAE-UHFFFAOYSA-N -1 3 333.395 2.511 20 30 EFEDHM C#CCOc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823856795 1429903002 /nfs/dbraw/zinc/90/30/02/1429903002.db2.gz YJACXHFQMIXPAE-UHFFFAOYSA-N -1 3 333.395 2.511 20 30 EFEDHM C=CCN(CCOc1cccc(-c2nn[n-]n2)c1)CCc1ccco1 ZINC000823903508 1429919783 /nfs/dbraw/zinc/91/97/83/1429919783.db2.gz BZUBVSGOKQHYLT-UHFFFAOYSA-N -1 3 339.399 2.569 20 30 EFEDHM C=CCN(CCOc1cccc(-c2nnn[n-]2)c1)CCc1ccco1 ZINC000823903508 1429919786 /nfs/dbraw/zinc/91/97/86/1429919786.db2.gz BZUBVSGOKQHYLT-UHFFFAOYSA-N -1 3 339.399 2.569 20 30 EFEDHM N#CCC[C@@H](NC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381721 1443506554 /nfs/dbraw/zinc/50/65/54/1443506554.db2.gz WKKRXUKKHZXCEE-QZTJIDSGSA-N -1 3 348.410 2.535 20 30 EFEDHM N#CCC[C@@H](NC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381721 1443506557 /nfs/dbraw/zinc/50/65/57/1443506557.db2.gz WKKRXUKKHZXCEE-QZTJIDSGSA-N -1 3 348.410 2.535 20 30 EFEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CN1C1CC1 ZINC000824859971 1449100743 /nfs/dbraw/zinc/10/07/43/1449100743.db2.gz SHWVNALBBLPZCO-SECBINFHSA-N -1 3 331.811 2.545 20 30 EFEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CN1C1CC1 ZINC000824859971 1449100748 /nfs/dbraw/zinc/10/07/48/1449100748.db2.gz SHWVNALBBLPZCO-SECBINFHSA-N -1 3 331.811 2.545 20 30 EFEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)C1CCCC1 ZINC000819701854 1450497576 /nfs/dbraw/zinc/49/75/76/1450497576.db2.gz OKYUTGMVDLWCDK-UHFFFAOYSA-N -1 3 347.369 2.846 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC000949235893 712911353 /nfs/dbraw/zinc/91/13/53/712911353.db2.gz WQCZZOKOKPQGIH-UHFFFAOYSA-N -1 3 330.428 2.573 20 30 EFEDHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(F)c1C#N)c1nccs1 ZINC000120422842 713113335 /nfs/dbraw/zinc/11/33/35/713113335.db2.gz LUDRAMRHSYORKT-CQSZACIVSA-N -1 3 339.417 2.758 20 30 EFEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)c1 ZINC000177602561 713740387 /nfs/dbraw/zinc/74/03/87/713740387.db2.gz DWMLRTUKBJKUQI-ZDUSSCGKSA-N -1 3 330.365 2.726 20 30 EFEDHM CN(Cc1ccccc1C#N)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000971106246 714360934 /nfs/dbraw/zinc/36/09/34/714360934.db2.gz BWIZKLBWFQSCQU-QGZVFWFLSA-N -1 3 335.407 2.610 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000975132224 715549389 /nfs/dbraw/zinc/54/93/89/715549389.db2.gz JICJSHOMRVMUGD-CQSZACIVSA-N -1 3 330.428 2.573 20 30 EFEDHM C#CCOc1ccc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC000158434738 715562804 /nfs/dbraw/zinc/56/28/04/715562804.db2.gz MWFIEDFRIGSNHH-UHFFFAOYSA-N -1 3 349.346 2.614 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC000977385753 716149641 /nfs/dbraw/zinc/14/96/41/716149641.db2.gz IAWFLRUZSLTPJD-AWEZNQCLSA-N -1 3 330.428 2.667 20 30 EFEDHM C#CC[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(C)(C)C ZINC000159811547 716781858 /nfs/dbraw/zinc/78/18/58/716781858.db2.gz QUUMLDYHNHXXGV-AWEZNQCLSA-N -1 3 341.404 2.792 20 30 EFEDHM O=C(NC[C@H]1CCCN1CC#Cc1ccccc1)c1ccccc1[O-] ZINC001027762394 716886261 /nfs/dbraw/zinc/88/62/61/716886261.db2.gz XRFRWPMICLUEMO-GOSISDBHSA-N -1 3 334.419 2.638 20 30 EFEDHM COc1cc(/C=C\C(=O)c2cnccn2)cc(Br)c1[O-] ZINC000255615398 717141409 /nfs/dbraw/zinc/14/14/09/717141409.db2.gz CALGQFMCJSSEQF-IHWYPQMZSA-N -1 3 335.157 2.849 20 30 EFEDHM COC1(C/N=C\c2cc(Br)ccc2[O-])CCOCC1 ZINC000255659311 717361593 /nfs/dbraw/zinc/36/15/93/717361593.db2.gz JZXDQOJISKWBTO-SXGWCWSVSA-N -1 3 328.206 2.769 20 30 EFEDHM C=CC(C)(C)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000979870523 717528632 /nfs/dbraw/zinc/52/86/32/717528632.db2.gz BFPAUIOJPXXLSE-NUEKZKHPSA-N -1 3 342.439 2.571 20 30 EFEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)c1 ZINC000177602573 718127522 /nfs/dbraw/zinc/12/75/22/718127522.db2.gz DWMLRTUKBJKUQI-CYBMUJFWSA-N -1 3 330.365 2.726 20 30 EFEDHM CCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000181253918 718412564 /nfs/dbraw/zinc/41/25/64/718412564.db2.gz XMRVUABEBOEIGG-JTQLQIEISA-N -1 3 348.765 2.736 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(C)C ZINC000798472033 724579634 /nfs/dbraw/zinc/57/96/34/724579634.db2.gz IUAMPRCPBFORBX-JTQLQIEISA-N -1 3 334.210 2.524 20 30 EFEDHM C#CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000797449784 724596564 /nfs/dbraw/zinc/59/65/64/724596564.db2.gz PJHOBHIYJWNUMA-UHFFFAOYSA-N -1 3 336.638 2.794 20 30 EFEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3c2COC3=O)c1 ZINC000123711110 720856744 /nfs/dbraw/zinc/85/67/44/720856744.db2.gz VZUTYZHOXJQYRT-UHFFFAOYSA-N -1 3 348.767 2.683 20 30 EFEDHM O=C1Nc2c(cccc2C(F)(F)F)C1=N[N-]c1ccc(Cl)nn1 ZINC000017647270 722670525 /nfs/dbraw/zinc/67/05/25/722670525.db2.gz WWFCPKCVFIJGFC-UHFFFAOYSA-N -1 3 341.680 2.917 20 30 EFEDHM CNC(=O)COc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000917557221 728759749 /nfs/dbraw/zinc/75/97/49/728759749.db2.gz BFAXSVSQAOHKGX-KEBDBYFISA-N -1 3 332.787 2.790 20 30 EFEDHM O=C1[C@H](NCc2ccc(Cl)cc2Br)CCCN1[O-] ZINC000895164020 723502141 /nfs/dbraw/zinc/50/21/41/723502141.db2.gz AENONPNKPHIKAD-LLVKDONJSA-N -1 3 333.613 2.572 20 30 EFEDHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@@H]1CCCN([O-])C1=O ZINC000895164151 723502479 /nfs/dbraw/zinc/50/24/79/723502479.db2.gz DAYBYUCMNCGBBB-MRXNPFEDSA-N -1 3 348.834 2.612 20 30 EFEDHM CCCOc1c(Cl)cc(CN[C@H]2CCCN([O-])C2=O)cc1OC ZINC000895166620 723513912 /nfs/dbraw/zinc/51/39/12/723513912.db2.gz SXYSJBMTUDNWKE-ZDUSSCGKSA-N -1 3 342.823 2.607 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000984465750 724100394 /nfs/dbraw/zinc/10/03/94/724100394.db2.gz FIJQMMWJIOFBKD-CQSZACIVSA-N -1 3 330.428 2.667 20 30 EFEDHM [O-]c1ccc(Br)cc1C=NNC(=S)NCC1CCC1 ZINC000727653772 724290871 /nfs/dbraw/zinc/29/08/71/724290871.db2.gz YQSBAPRMWCQOGU-UHFFFAOYSA-N -1 3 342.262 2.753 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)c1 ZINC000127002274 724316618 /nfs/dbraw/zinc/31/66/18/724316618.db2.gz VMMBPALOWRPFRY-OAHLLOKOSA-N -1 3 339.307 2.565 20 30 EFEDHM C=CCC1(O)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000895835500 724342136 /nfs/dbraw/zinc/34/21/36/724342136.db2.gz IDZMCZMVIUBPIY-UHFFFAOYSA-N -1 3 326.780 2.857 20 30 EFEDHM C=CCC(C)(C)C(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001059653180 724901666 /nfs/dbraw/zinc/90/16/66/724901666.db2.gz ARVHIBVZEKSWKL-HNNXBMFYSA-N -1 3 344.455 2.963 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(F)c2)cc1Cl ZINC000151618778 725790663 /nfs/dbraw/zinc/79/06/63/725790663.db2.gz ZZIKXEDGAFDSJK-LBPRGKRZSA-N -1 3 347.733 2.844 20 30 EFEDHM C#CCN(CC#CC)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906816734 726416443 /nfs/dbraw/zinc/41/64/43/726416443.db2.gz FBQXMCMPFOGTOH-UHFFFAOYSA-N -1 3 333.413 2.589 20 30 EFEDHM O=C1CCCC(=O)N1c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000915271126 726922174 /nfs/dbraw/zinc/92/21/74/726922174.db2.gz KZMFWKBTLUKFAG-UHFFFAOYSA-N -1 3 340.335 2.598 20 30 EFEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)CSCC#N)nc(=O)c2c1C ZINC000915386873 726972088 /nfs/dbraw/zinc/97/20/88/726972088.db2.gz XCXGCWGOPDWRMA-MRVPVSSYSA-N -1 3 337.426 2.875 20 30 EFEDHM C=CCN(CCOC)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907700289 726995799 /nfs/dbraw/zinc/99/57/99/726995799.db2.gz VBPVFJJHSVTTRY-UHFFFAOYSA-N -1 3 341.433 2.765 20 30 EFEDHM NC(=O)c1ccccc1N1CC[C@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000732528997 727145079 /nfs/dbraw/zinc/14/50/79/727145079.db2.gz JPVOQEWFNWMIND-LKEIMFIWSA-N -1 3 343.814 2.842 20 30 EFEDHM C=CCN1CCC(NC(=O)N[C@@](C)(CCCCCC)C(=O)[O-])CC1 ZINC000908945115 727290991 /nfs/dbraw/zinc/29/09/91/727290991.db2.gz AJMHFVORTLCOIK-SFHVURJKSA-N -1 3 339.480 2.750 20 30 EFEDHM C#CCN1CCC(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])CC1 ZINC000908959709 727299272 /nfs/dbraw/zinc/29/92/72/727299272.db2.gz KYDWVQHXIKAGNE-UHFFFAOYSA-N -1 3 336.391 2.822 20 30 EFEDHM C=CCC[C@H](NC(=O)c1oc2ccccc2c1CN(C)C)C(=O)[O-] ZINC000909714489 727366457 /nfs/dbraw/zinc/36/64/57/727366457.db2.gz XSNNENAEEMATJN-AWEZNQCLSA-N -1 3 330.384 2.644 20 30 EFEDHM Cc1ccc(NC(=S)NN=C2C(=O)Nc3cc([O-])ccc32)c(C)c1 ZINC000915938626 727643004 /nfs/dbraw/zinc/64/30/04/727643004.db2.gz ZCZBYSRQJXDAKB-UHFFFAOYSA-N -1 3 340.408 2.652 20 30 EFEDHM Cc1ncc(CO)c(C=NNCc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000915972894 727644162 /nfs/dbraw/zinc/64/41/62/727644162.db2.gz WSSDNKBYDDYDDA-UHFFFAOYSA-N -1 3 339.317 2.730 20 30 EFEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccccc1 ZINC000916321438 727676907 /nfs/dbraw/zinc/67/69/07/727676907.db2.gz ZFYGNOWYWMLAES-OAHLLOKOSA-N -1 3 338.392 2.962 20 30 EFEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)o1 ZINC000916320956 727676922 /nfs/dbraw/zinc/67/69/22/727676922.db2.gz PHCPOOXDJJUVGY-AWEZNQCLSA-N -1 3 342.380 2.863 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000916487307 727690467 /nfs/dbraw/zinc/69/04/67/727690467.db2.gz GIFUEXYRBDGNHR-WCQYABFASA-N -1 3 333.438 2.781 20 30 EFEDHM CCC(=NNC(=S)NC1CC1)c1cc(Br)ccc1[O-] ZINC000916592638 727701019 /nfs/dbraw/zinc/70/10/19/727701019.db2.gz SMOXVKFGGUMLJP-UHFFFAOYSA-N -1 3 342.262 2.895 20 30 EFEDHM O=[N+]([O-])c1ccc([O-])c(/C=N/C2CCN(Cc3ccncc3)CC2)c1 ZINC000054892392 727887011 /nfs/dbraw/zinc/88/70/11/727887011.db2.gz IPSPYYZFGMBZOG-UDWIEESQSA-N -1 3 340.383 2.779 20 30 EFEDHM C=CCCCC(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060260546 727944226 /nfs/dbraw/zinc/94/42/26/727944226.db2.gz DKUNJYQWMAVTDP-OAHLLOKOSA-N -1 3 330.428 2.717 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000129789486 728224542 /nfs/dbraw/zinc/22/45/42/728224542.db2.gz RUHHWXZROAQVFF-ZDUSSCGKSA-N -1 3 339.307 2.565 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(F)cc(F)c1 ZINC000129838136 728299240 /nfs/dbraw/zinc/29/92/40/728299240.db2.gz FLHZGPWWXRNAPB-CYBMUJFWSA-N -1 3 330.290 2.935 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1sc(C)nc1C ZINC000129853275 728334144 /nfs/dbraw/zinc/33/41/44/728334144.db2.gz QYJZMNDQQWROAV-NSHDSACASA-N -1 3 329.381 2.730 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCC2CCCC2)ccc1F ZINC000919075164 728968378 /nfs/dbraw/zinc/96/83/78/728968378.db2.gz MTZZSPTWWWLYAU-UHFFFAOYSA-N -1 3 341.404 2.637 20 30 EFEDHM C=C1CCC(C(=O)N[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)CC1 ZINC000939912142 729184715 /nfs/dbraw/zinc/18/47/15/729184715.db2.gz DZGGRVLECMKASA-RHSMWYFYSA-N -1 3 342.439 2.715 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000921463792 729453879 /nfs/dbraw/zinc/45/38/79/729453879.db2.gz UFQRREXGXXLHHA-AWEZNQCLSA-N -1 3 343.420 2.704 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc(F)ccc1OC ZINC000921468215 729454673 /nfs/dbraw/zinc/45/46/73/729454673.db2.gz KKJYQUZIQPACQH-CYBMUJFWSA-N -1 3 349.387 2.531 20 30 EFEDHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC000068239474 729648102 /nfs/dbraw/zinc/64/81/02/729648102.db2.gz VUDMZOIXBPVQQI-UHFFFAOYSA-N -1 3 327.409 2.741 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(F)c1F ZINC000068680760 729741149 /nfs/dbraw/zinc/74/11/49/729741149.db2.gz DMMTZAKAXQWKGS-UHFFFAOYSA-N -1 3 332.306 2.680 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC000735438235 944649739 /nfs/dbraw/zinc/64/97/39/944649739.db2.gz YQRMCOXZNOYAIJ-UHFFFAOYSA-N -1 3 347.444 2.728 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000735438235 944649743 /nfs/dbraw/zinc/64/97/43/944649743.db2.gz YQRMCOXZNOYAIJ-UHFFFAOYSA-N -1 3 347.444 2.728 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203166 944982326 /nfs/dbraw/zinc/98/23/26/944982326.db2.gz RZWFSXOUSRBLMN-HJWRWDBZSA-N -1 3 344.378 2.691 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203166 944982332 /nfs/dbraw/zinc/98/23/32/944982332.db2.gz RZWFSXOUSRBLMN-HJWRWDBZSA-N -1 3 344.378 2.691 20 30 EFEDHM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c(C#N)c2n1CCC2 ZINC000737204330 944982999 /nfs/dbraw/zinc/98/29/99/944982999.db2.gz ZUWMZVLSEXBKID-FPLPWBNLSA-N -1 3 344.378 2.691 20 30 EFEDHM Cc1c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c(C#N)c2n1CCC2 ZINC000737204330 944983003 /nfs/dbraw/zinc/98/30/03/944983003.db2.gz ZUWMZVLSEXBKID-FPLPWBNLSA-N -1 3 344.378 2.691 20 30 EFEDHM C#CC1(Nc2cc(Br)ccc2-c2nnn[n-]2)CCCC1 ZINC001573281157 946672779 /nfs/dbraw/zinc/67/27/79/946672779.db2.gz VNCJZUZUJDUOFX-UHFFFAOYSA-N -1 3 332.205 2.987 20 30 EFEDHM C#CC1(Nc2cc(Br)ccc2-c2nn[n-]n2)CCCC1 ZINC001573281157 946672786 /nfs/dbraw/zinc/67/27/86/946672786.db2.gz VNCJZUZUJDUOFX-UHFFFAOYSA-N -1 3 332.205 2.987 20 30 EFEDHM C=C[C@@H](C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1)c1ccccc1 ZINC001573300507 947112849 /nfs/dbraw/zinc/11/28/49/947112849.db2.gz KZAHQTAVQMILPR-OAHLLOKOSA-N -1 3 331.379 2.679 20 30 EFEDHM C=C[C@@H](C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1)c1ccccc1 ZINC001573300507 947112853 /nfs/dbraw/zinc/11/28/53/947112853.db2.gz KZAHQTAVQMILPR-OAHLLOKOSA-N -1 3 331.379 2.679 20 30 EFEDHM C=CC[C@H](C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573318565 947309084 /nfs/dbraw/zinc/30/90/84/947309084.db2.gz CTWMCCROUIQVCS-AWEZNQCLSA-N -1 3 334.383 2.869 20 30 EFEDHM C=CC[C@H](C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573318565 947309097 /nfs/dbraw/zinc/30/90/97/947309097.db2.gz CTWMCCROUIQVCS-AWEZNQCLSA-N -1 3 334.383 2.869 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)ccc21 ZINC000826044941 947420105 /nfs/dbraw/zinc/42/01/05/947420105.db2.gz NFTVJDVPNOUVIT-XVNBXDOJSA-N -1 3 349.369 2.894 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)ccc21 ZINC000826044941 947420109 /nfs/dbraw/zinc/42/01/09/947420109.db2.gz NFTVJDVPNOUVIT-XVNBXDOJSA-N -1 3 349.369 2.894 20 30 EFEDHM C=CCN(CCc1ccco1)c1nc2ncccc2cc1-c1nnn[n-]1 ZINC001573342325 947541824 /nfs/dbraw/zinc/54/18/24/947541824.db2.gz WOMLJAOBAAAWMZ-UHFFFAOYSA-N -1 3 347.382 2.638 20 30 EFEDHM C=CCN(CCc1ccco1)c1nc2ncccc2cc1-c1nn[n-]n1 ZINC001573342325 947541833 /nfs/dbraw/zinc/54/18/33/947541833.db2.gz WOMLJAOBAAAWMZ-UHFFFAOYSA-N -1 3 347.382 2.638 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826218113 947644152 /nfs/dbraw/zinc/64/41/52/947644152.db2.gz PLPDRBDYHIKCJE-XFXZXTDPSA-N -1 3 334.335 2.534 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826218113 947644155 /nfs/dbraw/zinc/64/41/55/947644155.db2.gz PLPDRBDYHIKCJE-XFXZXTDPSA-N -1 3 334.335 2.534 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001575189692 952457158 /nfs/dbraw/zinc/45/71/58/952457158.db2.gz PVOBXFQSECWGPQ-JTQLQIEISA-N -1 3 338.396 2.617 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001575189692 952457167 /nfs/dbraw/zinc/45/71/67/952457167.db2.gz PVOBXFQSECWGPQ-JTQLQIEISA-N -1 3 338.396 2.617 20 30 EFEDHM C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1C(=O)[O-] ZINC001589396282 954380435 /nfs/dbraw/zinc/38/04/35/954380435.db2.gz XNKWLFIFXYYFEU-IUODEOHRSA-N -1 3 341.329 2.979 20 30 EFEDHM C#CCCN(CCOC)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001588448266 964095300 /nfs/dbraw/zinc/09/53/00/964095300.db2.gz ZOSYPUZIFLUANI-UHFFFAOYSA-N -1 3 340.217 2.619 20 30 EFEDHM N#CC(C(=O)CCCC(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001605575806 973840499 /nfs/dbraw/zinc/84/04/99/973840499.db2.gz BBWCYIFTUMWXHV-LLVKDONJSA-N -1 3 343.166 2.896 20 30 EFEDHM C#CCCOc1ccc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000901785849 980515543 /nfs/dbraw/zinc/51/55/43/980515543.db2.gz FTRCCXKWNLKHLI-INIZCTEOSA-N -1 3 341.329 2.928 20 30 EFEDHM C=CCOC[C@@H](NCc1cc(Cl)cc(Cl)c1OC)C(=O)[O-] ZINC000901810287 980531813 /nfs/dbraw/zinc/53/18/13/980531813.db2.gz KSVRCRIMDQJDAZ-GFCCVEGCSA-N -1 3 334.199 2.747 20 30 EFEDHM C#CC[C@@H](NCc1c(C)nn(Cc2ccc(C)cc2)c1Cl)C(=O)[O-] ZINC001588421832 983443116 /nfs/dbraw/zinc/44/31/16/983443116.db2.gz DGRLFRJIVNUIGM-MRXNPFEDSA-N -1 3 345.830 2.768 20 30 EFEDHM CCCn1ccnc1CCCN(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001596118415 983453249 /nfs/dbraw/zinc/45/32/49/983453249.db2.gz ZIMNUKGABRJDIW-UHFFFAOYSA-N -1 3 340.427 2.928 20 30 EFEDHM C#Cc1cccc(CN[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC001588522424 983571138 /nfs/dbraw/zinc/57/11/38/983571138.db2.gz XEFWJOUUEHEHNG-SFHVURJKSA-N -1 3 325.364 2.601 20 30 EFEDHM C=C(C)c1cccc(NC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC001588605875 983695350 /nfs/dbraw/zinc/69/53/50/983695350.db2.gz QASPNLSIHAMASW-UHFFFAOYSA-N -1 3 331.416 2.732 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC001588621226 983718946 /nfs/dbraw/zinc/71/89/46/983718946.db2.gz BFXFEMSQJGOZFY-QGZVFWFLSA-N -1 3 332.444 2.680 20 30 EFEDHM C=C(Cl)C[C@H](N)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001588637075 983758538 /nfs/dbraw/zinc/75/85/38/983758538.db2.gz FSFUOQCTLXLXRG-NSHDSACASA-N -1 3 338.816 2.686 20 30 EFEDHM C=C(Cl)C[C@@H](N)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001588642647 983764993 /nfs/dbraw/zinc/76/49/93/983764993.db2.gz ZLRJUIMQSNVOJD-GFCCVEGCSA-N -1 3 326.780 2.580 20 30 EFEDHM C=CCCC[C@H](N)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001588786121 984182983 /nfs/dbraw/zinc/18/29/83/984182983.db2.gz MHPYUQRYRDCVGO-DLBZAZTESA-N -1 3 326.396 2.765 20 30 EFEDHM C=CCCCCCCCCNC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001588798527 984236492 /nfs/dbraw/zinc/23/64/92/984236492.db2.gz IVOXHGNWHZAEIE-MRXNPFEDSA-N -1 3 339.480 2.561 20 30 EFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001589431918 986736403 /nfs/dbraw/zinc/73/64/03/986736403.db2.gz SMCAUJYRFKWZER-NQBHXWOUSA-N -1 3 349.818 2.581 20 30 EFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001597584490 988389957 /nfs/dbraw/zinc/38/99/57/988389957.db2.gz CINQJGOWBMMUPU-ZNMIVQPWSA-N -1 3 342.395 2.570 20 30 EFEDHM C[C@](NCc1ccc(C#N)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292398 994676252 /nfs/dbraw/zinc/67/62/52/994676252.db2.gz KQESFORHPAZVAF-QGZVFWFLSA-N -1 3 325.324 2.556 20 30 EFEDHM C[C@](NCc1ccc(CC#N)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593296195 994695404 /nfs/dbraw/zinc/69/54/04/994695404.db2.gz JTHWOYWGMHXVAO-GOSISDBHSA-N -1 3 339.351 2.750 20 30 EFEDHM N#Cc1ccc(CN[C@H](COCc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC001574790908 1088098734 /nfs/dbraw/zinc/09/87/34/1088098734.db2.gz CUYJDRANVWGBND-QGZVFWFLSA-N -1 3 344.798 2.971 20 30 EFEDHM N#Cc1ccc(CN[C@@H](COCc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC001574790907 1088099656 /nfs/dbraw/zinc/09/96/56/1088099656.db2.gz CUYJDRANVWGBND-KRWDZBQOSA-N -1 3 344.798 2.971 20 30 EFEDHM C[C@@H](Nc1cccc(C#N)c1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001575434579 1088468765 /nfs/dbraw/zinc/46/87/65/1088468765.db2.gz BTQLIUSFBYGGGU-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1cccc(C#N)c1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001575434579 1088468772 /nfs/dbraw/zinc/46/87/72/1088468772.db2.gz BTQLIUSFBYGGGU-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM CCCCCCCC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001577505637 1090015893 /nfs/dbraw/zinc/01/58/93/1090015893.db2.gz LZHOPINYVHGAAR-INIZCTEOSA-N -1 3 327.432 2.811 20 30 EFEDHM CCCCCCCC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001577505637 1090015907 /nfs/dbraw/zinc/01/59/07/1090015907.db2.gz LZHOPINYVHGAAR-INIZCTEOSA-N -1 3 327.432 2.811 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001577659673 1090111928 /nfs/dbraw/zinc/11/19/28/1090111928.db2.gz MKTNHBWXXHIBER-UHFFFAOYSA-N -1 3 333.399 2.858 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001577659673 1090111934 /nfs/dbraw/zinc/11/19/34/1090111934.db2.gz MKTNHBWXXHIBER-UHFFFAOYSA-N -1 3 333.399 2.858 20 30 EFEDHM Nc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001580438943 1090899143 /nfs/dbraw/zinc/89/91/43/1090899143.db2.gz GVFUVHCDVUFMMS-UHFFFAOYSA-N -1 3 334.297 2.775 20 30 EFEDHM C[C@]1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C[C@@H]1c1ccccc1 ZINC001580456967 1090907075 /nfs/dbraw/zinc/90/70/75/1090907075.db2.gz WNRHHSNABXEMJA-APWZRJJASA-N -1 3 344.378 2.871 20 30 EFEDHM C[C@]1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C[C@@H]1c1ccccc1 ZINC001580456967 1090907079 /nfs/dbraw/zinc/90/70/79/1090907079.db2.gz WNRHHSNABXEMJA-APWZRJJASA-N -1 3 344.378 2.871 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC001580619932 1090969970 /nfs/dbraw/zinc/96/99/70/1090969970.db2.gz MDBGSJBCFKAUAN-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC001580619932 1090969973 /nfs/dbraw/zinc/96/99/73/1090969973.db2.gz MDBGSJBCFKAUAN-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)c1 ZINC001580768767 1091001860 /nfs/dbraw/zinc/00/18/60/1091001860.db2.gz LAEPXZCKMCBRFV-UHFFFAOYSA-N -1 3 346.394 2.845 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC001580768767 1091001866 /nfs/dbraw/zinc/00/18/66/1091001866.db2.gz LAEPXZCKMCBRFV-UHFFFAOYSA-N -1 3 346.394 2.845 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001580768715 1091002061 /nfs/dbraw/zinc/00/20/61/1091002061.db2.gz IYZKNNBZEFAAEW-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001580768715 1091002068 /nfs/dbraw/zinc/00/20/68/1091002068.db2.gz IYZKNNBZEFAAEW-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001580768669 1091002333 /nfs/dbraw/zinc/00/23/33/1091002333.db2.gz HAESXOFDKPUPDT-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001580768669 1091002339 /nfs/dbraw/zinc/00/23/39/1091002339.db2.gz HAESXOFDKPUPDT-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(OC(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)ccc1C#N ZINC001581042003 1091065707 /nfs/dbraw/zinc/06/57/07/1091065707.db2.gz ZHURJUKDRNYIIJ-UHFFFAOYSA-N -1 3 347.378 2.812 20 30 EFEDHM Cc1cc(OC(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)ccc1C#N ZINC001581042003 1091065712 /nfs/dbraw/zinc/06/57/12/1091065712.db2.gz ZHURJUKDRNYIIJ-UHFFFAOYSA-N -1 3 347.378 2.812 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C(C)C)n1 ZINC001581174154 1091086351 /nfs/dbraw/zinc/08/63/51/1091086351.db2.gz HXOBRXAWZGVLEQ-UHFFFAOYSA-N -1 3 347.382 2.818 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C(C)C)n1 ZINC001581174154 1091086357 /nfs/dbraw/zinc/08/63/57/1091086357.db2.gz HXOBRXAWZGVLEQ-UHFFFAOYSA-N -1 3 347.382 2.818 20 30 EFEDHM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC001581247356 1091105657 /nfs/dbraw/zinc/10/56/57/1091105657.db2.gz BNTGKDUXLPPBRL-DOTOQJQBSA-N -1 3 344.378 2.789 20 30 EFEDHM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC001581247356 1091105669 /nfs/dbraw/zinc/10/56/69/1091105669.db2.gz BNTGKDUXLPPBRL-DOTOQJQBSA-N -1 3 344.378 2.789 20 30 EFEDHM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC001581247781 1091105784 /nfs/dbraw/zinc/10/57/84/1091105784.db2.gz IEARZIODKATCPM-DLBZAZTESA-N -1 3 344.378 2.789 20 30 EFEDHM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC001581247781 1091105786 /nfs/dbraw/zinc/10/57/86/1091105786.db2.gz IEARZIODKATCPM-DLBZAZTESA-N -1 3 344.378 2.789 20 30 EFEDHM N#CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001581858074 1091322168 /nfs/dbraw/zinc/32/21/68/1091322168.db2.gz OXLABXNDQKSDIS-UHFFFAOYSA-N -1 3 338.758 2.690 20 30 EFEDHM N#CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001581858074 1091322176 /nfs/dbraw/zinc/32/21/76/1091322176.db2.gz OXLABXNDQKSDIS-UHFFFAOYSA-N -1 3 338.758 2.690 20 30 EFEDHM N#CCc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001581859743 1091322311 /nfs/dbraw/zinc/32/23/11/1091322311.db2.gz SQCJBEBMELIEPU-HJWRWDBZSA-N -1 3 330.351 2.585 20 30 EFEDHM N#CCc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001581859743 1091322323 /nfs/dbraw/zinc/32/23/23/1091322323.db2.gz SQCJBEBMELIEPU-HJWRWDBZSA-N -1 3 330.351 2.585 20 30 EFEDHM N#CCc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001581859742 1091322492 /nfs/dbraw/zinc/32/24/92/1091322492.db2.gz SQCJBEBMELIEPU-CMDGGOBGSA-N -1 3 330.351 2.585 20 30 EFEDHM N#CCc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001581859742 1091322497 /nfs/dbraw/zinc/32/24/97/1091322497.db2.gz SQCJBEBMELIEPU-CMDGGOBGSA-N -1 3 330.351 2.585 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)ccc1Cl ZINC001581866787 1091324120 /nfs/dbraw/zinc/32/41/20/1091324120.db2.gz VLXKAPNHMDFWRU-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)ccc1Cl ZINC001581866787 1091324126 /nfs/dbraw/zinc/32/41/26/1091324126.db2.gz VLXKAPNHMDFWRU-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(CN2CCCc3c(-c4nnn[n-]4)cccc32)ccc1F ZINC001581864635 1091324153 /nfs/dbraw/zinc/32/41/53/1091324153.db2.gz GBISGXULXOWKOK-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1cc(CN2CCCc3c(-c4nn[n-]n4)cccc32)ccc1F ZINC001581864635 1091324162 /nfs/dbraw/zinc/32/41/62/1091324162.db2.gz GBISGXULXOWKOK-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1ccccc1SCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581876031 1091330018 /nfs/dbraw/zinc/33/00/18/1091330018.db2.gz BUSRFIOPFBXWGP-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1ccccc1SCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581876031 1091330025 /nfs/dbraw/zinc/33/00/25/1091330025.db2.gz BUSRFIOPFBXWGP-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM COc1cccc(S([O-])=CC(=O)O[C@H](CC#N)c2ccco2)c1 ZINC001649267879 1092285654 /nfs/dbraw/zinc/28/56/54/1092285654.db2.gz VWGPTCWPQJVZLC-CMJOXMDJSA-N -1 3 333.365 2.594 20 30 EFEDHM Cc1nsc(NC2(CNC(=O)c3ccccc3[O-])CCC2)c1C#N ZINC001111764131 1092460293 /nfs/dbraw/zinc/46/02/93/1092460293.db2.gz ASVCMJHUIMPKTL-UHFFFAOYSA-N -1 3 342.424 2.793 20 30 EFEDHM Cc1cc(C)cc(C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC001649708703 1092608461 /nfs/dbraw/zinc/60/84/61/1092608461.db2.gz AOJLULAXTKASMC-AWEZNQCLSA-N -1 3 328.437 2.973 20 30 EFEDHM N#CCN1CCC[C@@H](C2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC001075447642 1092743973 /nfs/dbraw/zinc/74/39/73/1092743973.db2.gz BAYIHBHRKSMALD-MRXNPFEDSA-N -1 3 341.455 2.870 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001587623585 1092832904 /nfs/dbraw/zinc/83/29/04/1092832904.db2.gz ZNFUJBXLVLCMMP-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001587623585 1092832911 /nfs/dbraw/zinc/83/29/11/1092832911.db2.gz ZNFUJBXLVLCMMP-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM C#C[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1F ZINC001588329113 1092924786 /nfs/dbraw/zinc/92/47/86/1092924786.db2.gz YEHGTTLXDDNPJK-ZDUSSCGKSA-N -1 3 346.728 2.980 20 30 EFEDHM C#C[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1F ZINC001588329113 1092924795 /nfs/dbraw/zinc/92/47/95/1092924795.db2.gz YEHGTTLXDDNPJK-ZDUSSCGKSA-N -1 3 346.728 2.980 20 30 EFEDHM C#C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588328575 1092925203 /nfs/dbraw/zinc/92/52/03/1092925203.db2.gz KYWKUEZBLMNWPU-CQSZACIVSA-N -1 3 338.302 2.700 20 30 EFEDHM C#C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588328575 1092925213 /nfs/dbraw/zinc/92/52/13/1092925213.db2.gz KYWKUEZBLMNWPU-CQSZACIVSA-N -1 3 338.302 2.700 20 30 EFEDHM C#C[C@@H](CCC)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588327041 1092927161 /nfs/dbraw/zinc/92/71/61/1092927161.db2.gz ANULSKGVPIUTNI-LBPRGKRZSA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@@H](CCC)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588327041 1092927171 /nfs/dbraw/zinc/92/71/71/1092927171.db2.gz ANULSKGVPIUTNI-LBPRGKRZSA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001588326421 1092927193 /nfs/dbraw/zinc/92/71/93/1092927193.db2.gz LMNKNKQFLOSMCZ-LBPRGKRZSA-N -1 3 349.419 2.769 20 30 EFEDHM C#C[C@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001588326421 1092927203 /nfs/dbraw/zinc/92/72/03/1092927203.db2.gz LMNKNKQFLOSMCZ-LBPRGKRZSA-N -1 3 349.419 2.769 20 30 EFEDHM C#CC[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(C)cc32)C1 ZINC001588335547 1092928419 /nfs/dbraw/zinc/92/84/19/1092928419.db2.gz QRFUZUNVHXYYHW-AWEZNQCLSA-N -1 3 332.411 2.963 20 30 EFEDHM C#CC[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(C)cc32)C1 ZINC001588335547 1092928430 /nfs/dbraw/zinc/92/84/30/1092928430.db2.gz QRFUZUNVHXYYHW-AWEZNQCLSA-N -1 3 332.411 2.963 20 30 EFEDHM C#CC[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001588333745 1092928714 /nfs/dbraw/zinc/92/87/14/1092928714.db2.gz CWVXLQMEVQXVBU-OAHLLOKOSA-N -1 3 334.339 2.951 20 30 EFEDHM C#CC[C@@H](NC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC001588334039 1092929220 /nfs/dbraw/zinc/92/92/20/1092929220.db2.gz MJFODWYRUGPAOL-CYBMUJFWSA-N -1 3 338.396 2.814 20 30 EFEDHM C#CC[C@@H](NC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC001588334039 1092929225 /nfs/dbraw/zinc/92/92/25/1092929225.db2.gz MJFODWYRUGPAOL-CYBMUJFWSA-N -1 3 338.396 2.814 20 30 EFEDHM C#CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)s2)CCCCC1 ZINC001588334893 1092929527 /nfs/dbraw/zinc/92/95/27/1092929527.db2.gz PBBMIOJURHYMHT-UHFFFAOYSA-N -1 3 330.413 2.945 20 30 EFEDHM C#CCSCC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588363251 1092931204 /nfs/dbraw/zinc/93/12/04/1092931204.db2.gz UCWMLCKZRBINNA-UHFFFAOYSA-N -1 3 335.458 2.531 20 30 EFEDHM C#CCSCC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588363251 1092931207 /nfs/dbraw/zinc/93/12/07/1092931207.db2.gz UCWMLCKZRBINNA-UHFFFAOYSA-N -1 3 335.458 2.531 20 30 EFEDHM C#CCOc1ccc(C=Cc2cc(-c3nnn[n-]3)ccn2)cc1OCC ZINC001588362036 1092931485 /nfs/dbraw/zinc/93/14/85/1092931485.db2.gz PLBOLZGIVJUGQL-FNORWQNLSA-N -1 3 347.378 2.843 20 30 EFEDHM C#CCOc1ccc(C=Cc2cc(-c3nn[n-]n3)ccn2)cc1OCC ZINC001588362036 1092931497 /nfs/dbraw/zinc/93/14/97/1092931497.db2.gz PLBOLZGIVJUGQL-FNORWQNLSA-N -1 3 347.378 2.843 20 30 EFEDHM C#CCCCCCC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588345273 1092931796 /nfs/dbraw/zinc/93/17/96/1092931796.db2.gz XLFGEOZPFMNMOM-UHFFFAOYSA-N -1 3 339.443 2.888 20 30 EFEDHM C#CCCCCCC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588345273 1092931801 /nfs/dbraw/zinc/93/18/01/1092931801.db2.gz XLFGEOZPFMNMOM-UHFFFAOYSA-N -1 3 339.443 2.888 20 30 EFEDHM C#CCOc1ccc(-c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC001588363773 1092931984 /nfs/dbraw/zinc/93/19/84/1092931984.db2.gz ZWXBMKYKIHWLFT-UHFFFAOYSA-N -1 3 344.334 2.596 20 30 EFEDHM C#CCOc1ccc(-c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC001588363773 1092931993 /nfs/dbraw/zinc/93/19/93/1092931993.db2.gz ZWXBMKYKIHWLFT-UHFFFAOYSA-N -1 3 344.334 2.596 20 30 EFEDHM C#CCOc1ccccc1-c1noc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001588362953 1092932702 /nfs/dbraw/zinc/93/27/02/1092932702.db2.gz ARFQXQGTDHDBFT-UHFFFAOYSA-N -1 3 344.334 2.596 20 30 EFEDHM C#CCOc1ccccc1-c1noc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001588362953 1092932710 /nfs/dbraw/zinc/93/27/10/1092932710.db2.gz ARFQXQGTDHDBFT-UHFFFAOYSA-N -1 3 344.334 2.596 20 30 EFEDHM C#Cc1cccc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001588375494 1092934039 /nfs/dbraw/zinc/93/40/39/1092934039.db2.gz ZEINDLUPNFORPL-UHFFFAOYSA-N -1 3 329.363 2.518 20 30 EFEDHM C#Cc1cccc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001588375494 1092934045 /nfs/dbraw/zinc/93/40/45/1092934045.db2.gz ZEINDLUPNFORPL-UHFFFAOYSA-N -1 3 329.363 2.518 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588374770 1092934700 /nfs/dbraw/zinc/93/47/00/1092934700.db2.gz NIARPAGKKPRAFS-GFCCVEGCSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588374770 1092934705 /nfs/dbraw/zinc/93/47/05/1092934705.db2.gz NIARPAGKKPRAFS-GFCCVEGCSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1ccc(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)cc1 ZINC001588374623 1092935569 /nfs/dbraw/zinc/93/55/69/1092935569.db2.gz DXUQDDKBBVLJGY-UHFFFAOYSA-N -1 3 328.335 2.582 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)c2cc(-c3nnn[n-]3)ccc2Cl)c1 ZINC001588374668 1092935806 /nfs/dbraw/zinc/93/58/06/1092935806.db2.gz HOHVEWXJGFDIRI-UHFFFAOYSA-N -1 3 337.770 2.778 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)c2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC001588374668 1092935812 /nfs/dbraw/zinc/93/58/12/1092935812.db2.gz HOHVEWXJGFDIRI-UHFFFAOYSA-N -1 3 337.770 2.778 20 30 EFEDHM C(=[NH+][N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCCCC2)o1 ZINC001588381604 1092938443 /nfs/dbraw/zinc/93/84/43/1092938443.db2.gz KQPRNMFEPWQHNR-UHFFFAOYSA-N -1 3 337.387 2.896 20 30 EFEDHM C=C(C)[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001588400565 1092940392 /nfs/dbraw/zinc/94/03/92/1092940392.db2.gz AVTKRNONHCQXGZ-AWEZNQCLSA-N -1 3 344.325 2.520 20 30 EFEDHM C=C(C)[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001588400565 1092940400 /nfs/dbraw/zinc/94/04/00/1092940400.db2.gz AVTKRNONHCQXGZ-AWEZNQCLSA-N -1 3 344.325 2.520 20 30 EFEDHM C=C(Br)CNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001588391068 1092940872 /nfs/dbraw/zinc/94/08/72/1092940872.db2.gz DHJPZEOZEXLQJW-UHFFFAOYSA-N -1 3 337.225 2.880 20 30 EFEDHM C=C(Br)CNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001588391068 1092940882 /nfs/dbraw/zinc/94/08/82/1092940882.db2.gz DHJPZEOZEXLQJW-UHFFFAOYSA-N -1 3 337.225 2.880 20 30 EFEDHM C=C(C)[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)c(C)c1)OCC ZINC001588400886 1092940995 /nfs/dbraw/zinc/94/09/95/1092940995.db2.gz IEJXSDBGKLERBF-OAHLLOKOSA-N -1 3 330.388 2.590 20 30 EFEDHM C=C(C)[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)c(C)c1)OCC ZINC001588400886 1092941006 /nfs/dbraw/zinc/94/10/06/1092941006.db2.gz IEJXSDBGKLERBF-OAHLLOKOSA-N -1 3 330.388 2.590 20 30 EFEDHM C=C(C)CCC(=O)NC[C@@H](CC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588415755 1092942687 /nfs/dbraw/zinc/94/26/87/1092942687.db2.gz PVEFJRFSTYYEQR-GFCCVEGCSA-N -1 3 346.410 2.669 20 30 EFEDHM C=C(C)CCC(=O)NC[C@@H](CC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588415755 1092942697 /nfs/dbraw/zinc/94/26/97/1092942697.db2.gz PVEFJRFSTYYEQR-GFCCVEGCSA-N -1 3 346.410 2.669 20 30 EFEDHM C=C(C)CCC(=O)N[C@H](C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588416685 1092942891 /nfs/dbraw/zinc/94/28/91/1092942891.db2.gz YKOQYVJVRUXEKM-GFCCVEGCSA-N -1 3 346.410 2.669 20 30 EFEDHM C=C(C)CCC(=O)N[C@H](C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588416685 1092942902 /nfs/dbraw/zinc/94/29/02/1092942902.db2.gz YKOQYVJVRUXEKM-GFCCVEGCSA-N -1 3 346.410 2.669 20 30 EFEDHM C=C(C)CCC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2 ZINC001588419403 1092943279 /nfs/dbraw/zinc/94/32/79/1092943279.db2.gz HWLAESBZWCMJFU-NSHDSACASA-N -1 3 326.404 2.681 20 30 EFEDHM C=C(C)CCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2 ZINC001588419403 1092943287 /nfs/dbraw/zinc/94/32/87/1092943287.db2.gz HWLAESBZWCMJFU-NSHDSACASA-N -1 3 326.404 2.681 20 30 EFEDHM C=C(C)CNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC001588429516 1092944122 /nfs/dbraw/zinc/94/41/22/1092944122.db2.gz CPMKCWICIJNCKU-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM C=C(C)CNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC001588429516 1092944131 /nfs/dbraw/zinc/94/41/31/1092944131.db2.gz CPMKCWICIJNCKU-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM C=C(C)CCc1noc(C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)n1 ZINC001588425605 1092944772 /nfs/dbraw/zinc/94/47/72/1092944772.db2.gz JMDZFTXKHNLDGP-UHFFFAOYSA-N -1 3 340.362 2.977 20 30 EFEDHM C=C(C)CCc1noc(C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)n1 ZINC001588425605 1092944782 /nfs/dbraw/zinc/94/47/82/1092944782.db2.gz JMDZFTXKHNLDGP-UHFFFAOYSA-N -1 3 340.362 2.977 20 30 EFEDHM C=C(C)COCCNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588428908 1092945134 /nfs/dbraw/zinc/94/51/34/1092945134.db2.gz IAPFPLUIDBHYTM-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=C(C)COCCNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588428908 1092945139 /nfs/dbraw/zinc/94/51/39/1092945139.db2.gz IAPFPLUIDBHYTM-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC001588425710 1092945246 /nfs/dbraw/zinc/94/52/46/1092945246.db2.gz PZBBNSWJHLKZOQ-LLVKDONJSA-N -1 3 349.435 2.911 20 30 EFEDHM C=C(C)CN(CC)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC ZINC001588426164 1092945729 /nfs/dbraw/zinc/94/57/29/1092945729.db2.gz OTYQMPNHYUKRBZ-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=C(C)CN(CC)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC ZINC001588426164 1092945736 /nfs/dbraw/zinc/94/57/36/1092945736.db2.gz OTYQMPNHYUKRBZ-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=C1CC(C)(c2noc(-c3cc(-c4nnn[n-]4)cc(N(C)C)c3)n2)C1 ZINC001588456042 1092947843 /nfs/dbraw/zinc/94/78/43/1092947843.db2.gz GTBIWCJDTUDLGS-UHFFFAOYSA-N -1 3 337.387 2.590 20 30 EFEDHM C=C1CC(C)(c2noc(-c3cc(-c4nn[n-]n4)cc(N(C)C)c3)n2)C1 ZINC001588456042 1092947849 /nfs/dbraw/zinc/94/78/49/1092947849.db2.gz GTBIWCJDTUDLGS-UHFFFAOYSA-N -1 3 337.387 2.590 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588443666 1092947879 /nfs/dbraw/zinc/94/78/79/1092947879.db2.gz WVQSVBFUJOEZTF-JSGCOSHPSA-N -1 3 348.790 2.545 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001588443666 1092947887 /nfs/dbraw/zinc/94/78/87/1092947887.db2.gz WVQSVBFUJOEZTF-JSGCOSHPSA-N -1 3 348.790 2.545 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588486314 1092948722 /nfs/dbraw/zinc/94/87/22/1092948722.db2.gz FHOWLFDITSFJAQ-UHFFFAOYSA-N -1 3 340.431 2.884 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588486314 1092948730 /nfs/dbraw/zinc/94/87/30/1092948730.db2.gz FHOWLFDITSFJAQ-UHFFFAOYSA-N -1 3 340.431 2.884 20 30 EFEDHM C=C1CCC(CNC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)CC1 ZINC001588462071 1092948947 /nfs/dbraw/zinc/94/89/47/1092948947.db2.gz CIBKPYARWYVJND-UHFFFAOYSA-N -1 3 325.416 2.960 20 30 EFEDHM C=C1CCC(CNC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)CC1 ZINC001588462071 1092948953 /nfs/dbraw/zinc/94/89/53/1092948953.db2.gz CIBKPYARWYVJND-UHFFFAOYSA-N -1 3 325.416 2.960 20 30 EFEDHM C=C1CCC(CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588462633 1092949849 /nfs/dbraw/zinc/94/98/49/1092949849.db2.gz RIBTZBCRHDAGEZ-UHFFFAOYSA-N -1 3 340.431 2.755 20 30 EFEDHM C=C1CCC(CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588462633 1092949857 /nfs/dbraw/zinc/94/98/57/1092949857.db2.gz RIBTZBCRHDAGEZ-UHFFFAOYSA-N -1 3 340.431 2.755 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588486875 1092949968 /nfs/dbraw/zinc/94/99/68/1092949968.db2.gz LMVBTMGAMAXBMQ-GFCCVEGCSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588486875 1092949977 /nfs/dbraw/zinc/94/99/77/1092949977.db2.gz LMVBTMGAMAXBMQ-GFCCVEGCSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CC(C)(C)CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588483152 1092950232 /nfs/dbraw/zinc/95/02/32/1092950232.db2.gz AAXWDLOVIRLOFS-NSHDSACASA-N -1 3 346.410 2.525 20 30 EFEDHM C=CC(C)(C)CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588483152 1092950235 /nfs/dbraw/zinc/95/02/35/1092950235.db2.gz AAXWDLOVIRLOFS-NSHDSACASA-N -1 3 346.410 2.525 20 30 EFEDHM C=CC(C)(C)CCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588486691 1092950566 /nfs/dbraw/zinc/95/05/66/1092950566.db2.gz IKNPCGXITMPTNT-UHFFFAOYSA-N -1 3 343.431 2.743 20 30 EFEDHM C=CC(C)(C)CCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588486691 1092950572 /nfs/dbraw/zinc/95/05/72/1092950572.db2.gz IKNPCGXITMPTNT-UHFFFAOYSA-N -1 3 343.431 2.743 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588493087 1092952471 /nfs/dbraw/zinc/95/24/71/1092952471.db2.gz AGXHTBZILYIUAS-GTNSWQLSSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588493087 1092952483 /nfs/dbraw/zinc/95/24/83/1092952483.db2.gz AGXHTBZILYIUAS-GTNSWQLSSA-N -1 3 346.410 2.525 20 30 EFEDHM C=CC(C)(C)CCNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588488282 1092952532 /nfs/dbraw/zinc/95/25/32/1092952532.db2.gz ZEHYILOFLWLTEO-UHFFFAOYSA-N -1 3 336.346 2.869 20 30 EFEDHM C=CC(C)(C)CCNC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588488282 1092952546 /nfs/dbraw/zinc/95/25/46/1092952546.db2.gz ZEHYILOFLWLTEO-UHFFFAOYSA-N -1 3 336.346 2.869 20 30 EFEDHM C=CC[C@H](C=C)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588539272 1092955670 /nfs/dbraw/zinc/95/56/70/1092955670.db2.gz DQUWMCYKRYZOTQ-JKSUJKDBSA-N -1 3 339.399 2.509 20 30 EFEDHM C=CCC(C)(C)C(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc21 ZINC001588539730 1092955971 /nfs/dbraw/zinc/95/59/71/1092955971.db2.gz XGCCTEURVGYDDP-UHFFFAOYSA-N -1 3 325.376 2.592 20 30 EFEDHM C=CCC(C)(C)C(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc21 ZINC001588539730 1092955977 /nfs/dbraw/zinc/95/59/77/1092955977.db2.gz XGCCTEURVGYDDP-UHFFFAOYSA-N -1 3 325.376 2.592 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588541309 1092956445 /nfs/dbraw/zinc/95/64/45/1092956445.db2.gz LXCSMAMJPAZZIF-CQSZACIVSA-N -1 3 329.379 2.508 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588541309 1092956449 /nfs/dbraw/zinc/95/64/49/1092956449.db2.gz LXCSMAMJPAZZIF-CQSZACIVSA-N -1 3 329.379 2.508 20 30 EFEDHM C=CCC1(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588556839 1092957493 /nfs/dbraw/zinc/95/74/93/1092957493.db2.gz GFRCZQSHQNHOFX-UHFFFAOYSA-N -1 3 325.416 2.804 20 30 EFEDHM C=CCC1(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588556839 1092957499 /nfs/dbraw/zinc/95/74/99/1092957499.db2.gz GFRCZQSHQNHOFX-UHFFFAOYSA-N -1 3 325.416 2.804 20 30 EFEDHM C=CCC1(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC001588556846 1092958084 /nfs/dbraw/zinc/95/80/84/1092958084.db2.gz VXUXWTZWLZURCE-UHFFFAOYSA-N -1 3 340.383 2.729 20 30 EFEDHM C=CCC1(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001588556846 1092958095 /nfs/dbraw/zinc/95/80/95/1092958095.db2.gz VXUXWTZWLZURCE-UHFFFAOYSA-N -1 3 340.383 2.729 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001588556367 1092958968 /nfs/dbraw/zinc/95/89/68/1092958968.db2.gz KIGIKDMPEKPCLV-UHFFFAOYSA-N -1 3 347.806 2.832 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCOCC1 ZINC001588556367 1092958977 /nfs/dbraw/zinc/95/89/77/1092958977.db2.gz KIGIKDMPEKPCLV-UHFFFAOYSA-N -1 3 347.806 2.832 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC001588558520 1092960098 /nfs/dbraw/zinc/96/00/98/1092960098.db2.gz ACVHYMILUBIFKI-GFCCVEGCSA-N -1 3 342.403 2.695 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC001588558520 1092960106 /nfs/dbraw/zinc/96/01/06/1092960106.db2.gz ACVHYMILUBIFKI-GFCCVEGCSA-N -1 3 342.403 2.695 20 30 EFEDHM C=CCC1(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)CCCCC1 ZINC001588557305 1092960985 /nfs/dbraw/zinc/96/09/85/1092960985.db2.gz KAMRTNXTWGMWMV-UHFFFAOYSA-N -1 3 346.822 2.924 20 30 EFEDHM C=CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001588557645 1092961681 /nfs/dbraw/zinc/96/16/81/1092961681.db2.gz REACCBPFOOYQKL-UHFFFAOYSA-N -1 3 327.392 2.662 20 30 EFEDHM C=CCC1(NC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001588557645 1092961691 /nfs/dbraw/zinc/96/16/91/1092961691.db2.gz REACCBPFOOYQKL-UHFFFAOYSA-N -1 3 327.392 2.662 20 30 EFEDHM C=CCC1(COC(=O)c2ccc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC001588557631 1092962225 /nfs/dbraw/zinc/96/22/25/1092962225.db2.gz QNWVVLXEYFYKFH-UHFFFAOYSA-N -1 3 346.362 2.536 20 30 EFEDHM C=CCC1(COC(=O)c2ccc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC001588557631 1092962233 /nfs/dbraw/zinc/96/22/33/1092962233.db2.gz QNWVVLXEYFYKFH-UHFFFAOYSA-N -1 3 346.362 2.536 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588564934 1092962992 /nfs/dbraw/zinc/96/29/92/1092962992.db2.gz VCEFZZLDOLYCCJ-MRXNPFEDSA-N -1 3 337.427 2.856 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588564934 1092963005 /nfs/dbraw/zinc/96/30/05/1092963005.db2.gz VCEFZZLDOLYCCJ-MRXNPFEDSA-N -1 3 337.427 2.856 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588593426 1092963935 /nfs/dbraw/zinc/96/39/35/1092963935.db2.gz BVWPSKRLGWLTHQ-CYBMUJFWSA-N -1 3 325.416 2.759 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588593426 1092963943 /nfs/dbraw/zinc/96/39/43/1092963943.db2.gz BVWPSKRLGWLTHQ-CYBMUJFWSA-N -1 3 325.416 2.759 20 30 EFEDHM C=CCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588593329 1092964297 /nfs/dbraw/zinc/96/42/97/1092964297.db2.gz CETZPMARZQJQDG-UHFFFAOYSA-N -1 3 329.404 2.694 20 30 EFEDHM C=CCCCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588593329 1092964309 /nfs/dbraw/zinc/96/43/09/1092964309.db2.gz CETZPMARZQJQDG-UHFFFAOYSA-N -1 3 329.404 2.694 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001588578990 1092964437 /nfs/dbraw/zinc/96/44/37/1092964437.db2.gz IDPCXDWDHGOQSK-LBPRGKRZSA-N -1 3 347.369 2.916 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001588578990 1092964442 /nfs/dbraw/zinc/96/44/42/1092964442.db2.gz IDPCXDWDHGOQSK-LBPRGKRZSA-N -1 3 347.369 2.916 20 30 EFEDHM C=CCCCCCCNS(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001588594593 1092967438 /nfs/dbraw/zinc/96/74/38/1092967438.db2.gz XGWUDNWDHFQDGA-UHFFFAOYSA-N -1 3 349.460 2.590 20 30 EFEDHM C=CCCCCCCNS(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001588594593 1092967447 /nfs/dbraw/zinc/96/74/47/1092967447.db2.gz XGWUDNWDHFQDGA-UHFFFAOYSA-N -1 3 349.460 2.590 20 30 EFEDHM C=CCCCCCN(C)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588594714 1092967462 /nfs/dbraw/zinc/96/74/62/1092967462.db2.gz ZRCPIZUIIXPGQT-UHFFFAOYSA-N -1 3 329.408 2.780 20 30 EFEDHM C=CCCCCCN(C)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588594714 1092967474 /nfs/dbraw/zinc/96/74/74/1092967474.db2.gz ZRCPIZUIIXPGQT-UHFFFAOYSA-N -1 3 329.408 2.780 20 30 EFEDHM C=CCCN(C)C(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001588603627 1092967832 /nfs/dbraw/zinc/96/78/32/1092967832.db2.gz SEQWOHYNZLXVLA-UHFFFAOYSA-N -1 3 344.444 2.509 20 30 EFEDHM C=CCCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588601182 1092968234 /nfs/dbraw/zinc/96/82/34/1092968234.db2.gz XSGSOBUQYGCDGI-UHFFFAOYSA-N -1 3 326.404 2.507 20 30 EFEDHM C=CCCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588601182 1092968241 /nfs/dbraw/zinc/96/82/41/1092968241.db2.gz XSGSOBUQYGCDGI-UHFFFAOYSA-N -1 3 326.404 2.507 20 30 EFEDHM C=CCCSCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588617889 1092969856 /nfs/dbraw/zinc/96/98/56/1092969856.db2.gz GIVDIJMVNFAGAE-LBPRGKRZSA-N -1 3 346.460 2.536 20 30 EFEDHM C=CCCSCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588617889 1092969865 /nfs/dbraw/zinc/96/98/65/1092969865.db2.gz GIVDIJMVNFAGAE-LBPRGKRZSA-N -1 3 346.460 2.536 20 30 EFEDHM C=CCN(CC=C)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588632048 1092971499 /nfs/dbraw/zinc/97/14/99/1092971499.db2.gz QVYVEEVEXPFCCL-MRXNPFEDSA-N -1 3 338.415 2.628 20 30 EFEDHM C=CCN(CC=C)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588632048 1092971509 /nfs/dbraw/zinc/97/15/09/1092971509.db2.gz QVYVEEVEXPFCCL-MRXNPFEDSA-N -1 3 338.415 2.628 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1CC(F)(F)C1 ZINC001588640648 1092971679 /nfs/dbraw/zinc/97/16/79/1092971679.db2.gz WHYGBVIAUOGXGR-UHFFFAOYSA-N -1 3 347.369 2.817 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1CC(F)(F)C1 ZINC001588640648 1092971686 /nfs/dbraw/zinc/97/16/86/1092971686.db2.gz WHYGBVIAUOGXGR-UHFFFAOYSA-N -1 3 347.369 2.817 20 30 EFEDHM C=CCN(CCC#N)Cc1cc(-c2nnn[n-]2)ccc1Br ZINC001588631727 1092972944 /nfs/dbraw/zinc/97/29/44/1092972944.db2.gz AYQVLJTWOWYIRR-UHFFFAOYSA-N -1 3 347.220 2.531 20 30 EFEDHM C=CCN(CCC#N)Cc1cc(-c2nn[n-]n2)ccc1Br ZINC001588631727 1092972952 /nfs/dbraw/zinc/97/29/52/1092972952.db2.gz AYQVLJTWOWYIRR-UHFFFAOYSA-N -1 3 347.220 2.531 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc[nH]c1C1CC1 ZINC001588648222 1092975170 /nfs/dbraw/zinc/97/51/70/1092975170.db2.gz LMGBSOVQQZGNEI-UHFFFAOYSA-N -1 3 348.410 2.901 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc[nH]c1C1CC1 ZINC001588648222 1092975180 /nfs/dbraw/zinc/97/51/80/1092975180.db2.gz LMGBSOVQQZGNEI-UHFFFAOYSA-N -1 3 348.410 2.901 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC)cc1 ZINC001588648167 1092975853 /nfs/dbraw/zinc/97/58/53/1092975853.db2.gz JYLZDANGLHXMCD-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OC)cc1 ZINC001588648167 1092975863 /nfs/dbraw/zinc/97/58/63/1092975863.db2.gz JYLZDANGLHXMCD-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1nccn1C(F)F)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652239 1092975972 /nfs/dbraw/zinc/97/59/72/1092975972.db2.gz PXCRSTUARITTFA-UHFFFAOYSA-N -1 3 345.357 2.647 20 30 EFEDHM C=CCN(Cc1nccn1C(F)F)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652239 1092975981 /nfs/dbraw/zinc/97/59/81/1092975981.db2.gz PXCRSTUARITTFA-UHFFFAOYSA-N -1 3 345.357 2.647 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1nnc(CC)o1 ZINC001588649015 1092976342 /nfs/dbraw/zinc/97/63/42/1092976342.db2.gz SXKOUQNIIYZQGG-LBPRGKRZSA-N -1 3 339.403 2.561 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1nnc(CC)o1 ZINC001588649015 1092976354 /nfs/dbraw/zinc/97/63/54/1092976354.db2.gz SXKOUQNIIYZQGG-LBPRGKRZSA-N -1 3 339.403 2.561 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588653509 1092976385 /nfs/dbraw/zinc/97/63/85/1092976385.db2.gz JSPWYBACCHKSGB-UHFFFAOYSA-N -1 3 325.397 2.757 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588653509 1092976398 /nfs/dbraw/zinc/97/63/98/1092976398.db2.gz JSPWYBACCHKSGB-UHFFFAOYSA-N -1 3 325.397 2.757 20 30 EFEDHM C=CCN(Cc1ccccc1F)C(=O)c1sccc1-c1nnn[n-]1 ZINC001588653779 1092976691 /nfs/dbraw/zinc/97/66/91/1092976691.db2.gz ZUOUYZTUHPYRJZ-UHFFFAOYSA-N -1 3 343.387 2.896 20 30 EFEDHM C=CCN(Cc1ccccc1F)C(=O)c1sccc1-c1nn[n-]n1 ZINC001588653779 1092976702 /nfs/dbraw/zinc/97/67/02/1092976702.db2.gz ZUOUYZTUHPYRJZ-UHFFFAOYSA-N -1 3 343.387 2.896 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1snnc1C ZINC001588649008 1092976743 /nfs/dbraw/zinc/97/67/43/1092976743.db2.gz SPPASNHVIVRECR-LBPRGKRZSA-N -1 3 341.444 2.776 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1snnc1C ZINC001588649008 1092976754 /nfs/dbraw/zinc/97/67/54/1092976754.db2.gz SPPASNHVIVRECR-LBPRGKRZSA-N -1 3 341.444 2.776 20 30 EFEDHM C=CCO[C@@H]1CCN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001588665991 1092978394 /nfs/dbraw/zinc/97/83/94/1092978394.db2.gz VYGOUIJTHQFASO-LLVKDONJSA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCO[C@@H]1CCN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001588665991 1092978406 /nfs/dbraw/zinc/97/84/06/1092978406.db2.gz VYGOUIJTHQFASO-LLVKDONJSA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCOCCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001588681698 1092978819 /nfs/dbraw/zinc/97/88/19/1092978819.db2.gz FUMWKOVDUVONSC-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=CCOCCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001588681698 1092978828 /nfs/dbraw/zinc/97/88/28/1092978828.db2.gz FUMWKOVDUVONSC-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001588727773 1092979842 /nfs/dbraw/zinc/97/98/42/1092979842.db2.gz IHRXSTGNQSGVRI-ZANVPECISA-N -1 3 339.321 2.889 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001588727773 1092979853 /nfs/dbraw/zinc/97/98/53/1092979853.db2.gz IHRXSTGNQSGVRI-ZANVPECISA-N -1 3 339.321 2.889 20 30 EFEDHM C=CCc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc(OC)c1O ZINC001588694229 1092980083 /nfs/dbraw/zinc/98/00/83/1092980083.db2.gz FRYWBEDOYSRXBJ-FNORWQNLSA-N -1 3 335.367 2.875 20 30 EFEDHM C=CCc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc(OC)c1O ZINC001588694229 1092980091 /nfs/dbraw/zinc/98/00/91/1092980091.db2.gz FRYWBEDOYSRXBJ-FNORWQNLSA-N -1 3 335.367 2.875 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001588689889 1092980922 /nfs/dbraw/zinc/98/09/22/1092980922.db2.gz NPUZPOIUPRQHAC-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001588689889 1092980931 /nfs/dbraw/zinc/98/09/31/1092980931.db2.gz NPUZPOIUPRQHAC-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM C=CCn1cnnc1SCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588717267 1092981232 /nfs/dbraw/zinc/98/12/32/1092981232.db2.gz WWRUTVGJJUNCKF-UHFFFAOYSA-N -1 3 333.808 2.590 20 30 EFEDHM C=CCn1cnnc1SCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588717267 1092981242 /nfs/dbraw/zinc/98/12/42/1092981242.db2.gz WWRUTVGJJUNCKF-UHFFFAOYSA-N -1 3 333.808 2.590 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1CNc1nc2ccccc2c(C)c1-c1nnn[n-]1 ZINC001588728419 1092981488 /nfs/dbraw/zinc/98/14/88/1092981488.db2.gz QKUPLYBCTNWZHW-WFASDCNBSA-N -1 3 336.399 2.726 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1CNc1nc2ccccc2c(C)c1-c1nn[n-]n1 ZINC001588728419 1092981498 /nfs/dbraw/zinc/98/14/98/1092981498.db2.gz QKUPLYBCTNWZHW-WFASDCNBSA-N -1 3 336.399 2.726 20 30 EFEDHM CC#CCCNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588745990 1092983588 /nfs/dbraw/zinc/98/35/88/1092983588.db2.gz JUZIJORLVVDHOI-UHFFFAOYSA-N -1 3 342.403 2.579 20 30 EFEDHM CC#CCCNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588745990 1092983595 /nfs/dbraw/zinc/98/35/95/1092983595.db2.gz JUZIJORLVVDHOI-UHFFFAOYSA-N -1 3 342.403 2.579 20 30 EFEDHM CC(=NN=C1CCCCc2cc(-c3nnn[n-]3)ccc21)c1cnccn1 ZINC001588773322 1092989510 /nfs/dbraw/zinc/98/95/10/1092989510.db2.gz WMSJLKJZUCEMGJ-UHFFFAOYSA-N -1 3 346.398 2.596 20 30 EFEDHM CC(=NN=C1CCCCc2cc(-c3nn[n-]n3)ccc21)c1cnccn1 ZINC001588773322 1092989515 /nfs/dbraw/zinc/98/95/15/1092989515.db2.gz WMSJLKJZUCEMGJ-UHFFFAOYSA-N -1 3 346.398 2.596 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC001588780752 1092992599 /nfs/dbraw/zinc/99/25/99/1092992599.db2.gz MICWBICLSSJZAW-UHFFFAOYSA-N -1 3 347.382 2.588 20 30 EFEDHM CC(=NNC[C@@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC001588777399 1092993868 /nfs/dbraw/zinc/99/38/68/1092993868.db2.gz SEUOLINZHZQFGF-VIFPVBQESA-N -1 3 326.376 2.677 20 30 EFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001588876470 1092999487 /nfs/dbraw/zinc/99/94/87/1092999487.db2.gz ZJRZFNVDLDUVNV-FLIBITNWSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001588876470 1092999497 /nfs/dbraw/zinc/99/94/97/1092999497.db2.gz ZJRZFNVDLDUVNV-FLIBITNWSA-N -1 3 333.351 2.721 20 30 EFEDHM C=CCCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104424888 1093011465 /nfs/dbraw/zinc/01/14/65/1093011465.db2.gz DSGZZNNVTFYVMT-UHFFFAOYSA-N -1 3 348.403 2.893 20 30 EFEDHM C[C@@H](C#N)N(Cc1cc(-c2nnn[n-]2)ccc1Br)C1CC1 ZINC001588934512 1093014505 /nfs/dbraw/zinc/01/45/05/1093014505.db2.gz OQSBSZOPZJFZEQ-VIFPVBQESA-N -1 3 347.220 2.506 20 30 EFEDHM C[C@@H](C#N)N(Cc1cc(-c2nn[n-]n2)ccc1Br)C1CC1 ZINC001588934512 1093014511 /nfs/dbraw/zinc/01/45/11/1093014511.db2.gz OQSBSZOPZJFZEQ-VIFPVBQESA-N -1 3 347.220 2.506 20 30 EFEDHM CC(C)(C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589059161 1093023749 /nfs/dbraw/zinc/02/37/49/1093023749.db2.gz PAKMWDAAMLHLKR-DOMZBBRYSA-N -1 3 339.399 2.770 20 30 EFEDHM CC(C)(C(=O)O[C@H]1CCC[C@@H](C#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589059161 1093023759 /nfs/dbraw/zinc/02/37/59/1093023759.db2.gz PAKMWDAAMLHLKR-DOMZBBRYSA-N -1 3 339.399 2.770 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001589086016 1093027918 /nfs/dbraw/zinc/02/79/18/1093027918.db2.gz OPOQKQUIAXINRJ-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001589086016 1093027927 /nfs/dbraw/zinc/02/79/27/1093027927.db2.gz OPOQKQUIAXINRJ-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)[C@@H](C#N)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001589086313 1093027992 /nfs/dbraw/zinc/02/79/92/1093027992.db2.gz YGDJCOXAFWFDTC-CYBMUJFWSA-N -1 3 345.428 2.581 20 30 EFEDHM CC(C)(C)[C@@H](C#N)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001589086313 1093028002 /nfs/dbraw/zinc/02/80/02/1093028002.db2.gz YGDJCOXAFWFDTC-CYBMUJFWSA-N -1 3 345.428 2.581 20 30 EFEDHM CC(C)(C)c1csc(NC(=O)c2ccc(C#N)o2)c1-c1nnn[n-]1 ZINC001589237602 1093055023 /nfs/dbraw/zinc/05/50/23/1093055023.db2.gz WUHVMZLADLJBCB-UHFFFAOYSA-N -1 3 342.384 2.943 20 30 EFEDHM CC(C)(C)c1csc(NC(=O)c2ccc(C#N)o2)c1-c1nn[n-]n1 ZINC001589237602 1093055031 /nfs/dbraw/zinc/05/50/31/1093055031.db2.gz WUHVMZLADLJBCB-UHFFFAOYSA-N -1 3 342.384 2.943 20 30 EFEDHM CC(C)CCOC1CCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001589606834 1093113469 /nfs/dbraw/zinc/11/34/69/1093113469.db2.gz LAUBVEZVMLWRGS-UHFFFAOYSA-N -1 3 340.431 2.770 20 30 EFEDHM CC(C)CCOC1CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001589606834 1093113474 /nfs/dbraw/zinc/11/34/74/1093113474.db2.gz LAUBVEZVMLWRGS-UHFFFAOYSA-N -1 3 340.431 2.770 20 30 EFEDHM CC(C)CN(Cc1cc(C#N)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589618851 1093116143 /nfs/dbraw/zinc/11/61/43/1093116143.db2.gz OVGHKCDEOYMMGB-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)c1c(Cl)ncnc1N=NCc1ccc(-c2nnn[n-]2)s1 ZINC001589765358 1093138994 /nfs/dbraw/zinc/13/89/94/1093138994.db2.gz QRPLGTWUILGUTL-UHFFFAOYSA-N -1 3 348.823 2.941 20 30 EFEDHM CC(C)c1c(Cl)ncnc1N=NCc1ccc(-c2nn[n-]n2)s1 ZINC001589765358 1093139000 /nfs/dbraw/zinc/13/90/00/1093139000.db2.gz QRPLGTWUILGUTL-UHFFFAOYSA-N -1 3 348.823 2.941 20 30 EFEDHM CC(C)c1nccnc1N=NCc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001589776399 1093143037 /nfs/dbraw/zinc/14/30/37/1093143037.db2.gz DQMHDZLBTRBCMW-UHFFFAOYSA-N -1 3 347.386 2.707 20 30 EFEDHM CC(C)c1nccnc1N=NCc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001589776399 1093143038 /nfs/dbraw/zinc/14/30/38/1093143038.db2.gz DQMHDZLBTRBCMW-UHFFFAOYSA-N -1 3 347.386 2.707 20 30 EFEDHM C[C@H](CC1(C#N)CCOCC1)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589801003 1093151677 /nfs/dbraw/zinc/15/16/77/1093151677.db2.gz FZKKZAOYUOJEKY-LLVKDONJSA-N -1 3 330.367 2.517 20 30 EFEDHM C[C@H](CC1(C#N)CCOCC1)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589801003 1093151684 /nfs/dbraw/zinc/15/16/84/1093151684.db2.gz FZKKZAOYUOJEKY-LLVKDONJSA-N -1 3 330.367 2.517 20 30 EFEDHM CC(CN1Cc2ccccc2C1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001589848022 1093158649 /nfs/dbraw/zinc/15/86/49/1093158649.db2.gz NHLFJSRJRLSHOF-UHFFFAOYSA-N -1 3 333.399 2.670 20 30 EFEDHM CC(CN1Cc2ccccc2C1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001589848022 1093158653 /nfs/dbraw/zinc/15/86/53/1093158653.db2.gz NHLFJSRJRLSHOF-UHFFFAOYSA-N -1 3 333.399 2.670 20 30 EFEDHM C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC001589876392 1093163356 /nfs/dbraw/zinc/16/33/56/1093163356.db2.gz VYSNFNVXYQCBRX-LLVKDONJSA-N -1 3 338.346 2.757 20 30 EFEDHM C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC001589876392 1093163359 /nfs/dbraw/zinc/16/33/59/1093163359.db2.gz VYSNFNVXYQCBRX-LLVKDONJSA-N -1 3 338.346 2.757 20 30 EFEDHM C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589920155 1093178649 /nfs/dbraw/zinc/17/86/49/1093178649.db2.gz UUBSAMKXIAOTRV-DYVFJYSZSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589920155 1093178652 /nfs/dbraw/zinc/17/86/52/1093178652.db2.gz UUBSAMKXIAOTRV-DYVFJYSZSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001589937119 1093187471 /nfs/dbraw/zinc/18/74/71/1093187471.db2.gz WUYQJCVZFTTYOW-LLVKDONJSA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001589937119 1093187476 /nfs/dbraw/zinc/18/74/76/1093187476.db2.gz WUYQJCVZFTTYOW-LLVKDONJSA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589982542 1093207958 /nfs/dbraw/zinc/20/79/58/1093207958.db2.gz YAZULMIELAKBMD-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589982542 1093207967 /nfs/dbraw/zinc/20/79/67/1093207967.db2.gz YAZULMIELAKBMD-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](O)C[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001589996537 1093214230 /nfs/dbraw/zinc/21/42/30/1093214230.db2.gz HTZBEAQPFQUGMV-CJNGLKHVSA-N -1 3 348.410 2.705 20 30 EFEDHM C[C@@H](O)C[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001589996537 1093214236 /nfs/dbraw/zinc/21/42/36/1093214236.db2.gz HTZBEAQPFQUGMV-CJNGLKHVSA-N -1 3 348.410 2.705 20 30 EFEDHM C[C@H](OC(=O)c1cscc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001590015976 1093224159 /nfs/dbraw/zinc/22/41/59/1093224159.db2.gz OIYYROCRUJKPOA-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](OC(=O)c1cscc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001590015976 1093224166 /nfs/dbraw/zinc/22/41/66/1093224166.db2.gz OIYYROCRUJKPOA-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccsc1C#N ZINC001590043454 1093237077 /nfs/dbraw/zinc/23/70/77/1093237077.db2.gz OIPFKFXIHLIGAE-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccsc1C#N ZINC001590043454 1093237084 /nfs/dbraw/zinc/23/70/84/1093237084.db2.gz OIPFKFXIHLIGAE-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cc1cccc(C#N)c1 ZINC001590045794 1093239012 /nfs/dbraw/zinc/23/90/12/1093239012.db2.gz XHCONYHJDZVCQQ-ZDUSSCGKSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cc1cccc(C#N)c1 ZINC001590045794 1093239020 /nfs/dbraw/zinc/23/90/20/1093239020.db2.gz XHCONYHJDZVCQQ-ZDUSSCGKSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590051711 1093247686 /nfs/dbraw/zinc/24/76/86/1093247686.db2.gz YSHDTESNYXTZNG-LBPRGKRZSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590051711 1093247695 /nfs/dbraw/zinc/24/76/95/1093247695.db2.gz YSHDTESNYXTZNG-LBPRGKRZSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590165559 1093291284 /nfs/dbraw/zinc/29/12/84/1093291284.db2.gz MWHHMQSPUDQAIK-GOPGUHFVSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590165559 1093291293 /nfs/dbraw/zinc/29/12/93/1093291293.db2.gz MWHHMQSPUDQAIK-GOPGUHFVSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1[C@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC001590165561 1093292544 /nfs/dbraw/zinc/29/25/44/1093292544.db2.gz MWHHMQSPUDQAIK-JECHBYEQSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC001590165561 1093292551 /nfs/dbraw/zinc/29/25/51/1093292551.db2.gz MWHHMQSPUDQAIK-JECHBYEQSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)C1 ZINC001590241887 1093330097 /nfs/dbraw/zinc/33/00/97/1093330097.db2.gz YLJLPWMROJXFSG-VOJFVSQTSA-N -1 3 349.398 2.550 20 30 EFEDHM C[C@H]1OCC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]1C ZINC001590333635 1093380169 /nfs/dbraw/zinc/38/01/69/1093380169.db2.gz GJWLPXMBPHVVIA-HTQZYQBOSA-N -1 3 340.309 2.708 20 30 EFEDHM C[C@H]1OCC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H]1C ZINC001590333635 1093380171 /nfs/dbraw/zinc/38/01/71/1093380171.db2.gz GJWLPXMBPHVVIA-HTQZYQBOSA-N -1 3 340.309 2.708 20 30 EFEDHM CCC(N=Nc1ncncc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359193 1093390353 /nfs/dbraw/zinc/39/03/53/1093390353.db2.gz SWBVPDJUFDZWHK-UHFFFAOYSA-N -1 3 328.767 2.536 20 30 EFEDHM CCC(N=Nc1ncncc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359193 1093390358 /nfs/dbraw/zinc/39/03/58/1093390358.db2.gz SWBVPDJUFDZWHK-UHFFFAOYSA-N -1 3 328.767 2.536 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001590368034 1093392581 /nfs/dbraw/zinc/39/25/81/1093392581.db2.gz RYEWUCJFKRKBKQ-CQSZACIVSA-N -1 3 335.371 2.555 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001590368034 1093392586 /nfs/dbraw/zinc/39/25/86/1093392586.db2.gz RYEWUCJFKRKBKQ-CQSZACIVSA-N -1 3 335.371 2.555 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2cc(-c3nnn[n-]3)ccn2)c1 ZINC001590368033 1093393312 /nfs/dbraw/zinc/39/33/12/1093393312.db2.gz RYEWUCJFKRKBKQ-AWEZNQCLSA-N -1 3 335.371 2.555 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2cc(-c3nn[n-]n3)ccn2)c1 ZINC001590368033 1093393322 /nfs/dbraw/zinc/39/33/22/1093393322.db2.gz RYEWUCJFKRKBKQ-AWEZNQCLSA-N -1 3 335.371 2.555 20 30 EFEDHM CC[C@H](CC#N)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001590419316 1093413199 /nfs/dbraw/zinc/41/31/99/1093413199.db2.gz JOJYEOYJNUSEER-GFCCVEGCSA-N -1 3 325.376 2.558 20 30 EFEDHM CC[C@H](CC#N)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001590419316 1093413209 /nfs/dbraw/zinc/41/32/09/1093413209.db2.gz JOJYEOYJNUSEER-GFCCVEGCSA-N -1 3 325.376 2.558 20 30 EFEDHM CC[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001590446026 1093423583 /nfs/dbraw/zinc/42/35/83/1093423583.db2.gz NXGXKBXQSLLRKY-LLVKDONJSA-N -1 3 342.403 2.518 20 30 EFEDHM CC[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001590446026 1093423587 /nfs/dbraw/zinc/42/35/87/1093423587.db2.gz NXGXKBXQSLLRKY-LLVKDONJSA-N -1 3 342.403 2.518 20 30 EFEDHM CCCCCCCCC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001590592603 1093503535 /nfs/dbraw/zinc/50/35/35/1093503535.db2.gz AFCUPMGVVLVCPZ-UHFFFAOYSA-N -1 3 332.408 2.959 20 30 EFEDHM CCN(C(=O)c1cc(C#N)[nH]c1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590673346 1093542158 /nfs/dbraw/zinc/54/21/58/1093542158.db2.gz AKAFZHGHAMFORW-LBPRGKRZSA-N -1 3 349.398 2.598 20 30 EFEDHM CCN(C(=O)c1cc(C#N)[nH]c1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590673346 1093542166 /nfs/dbraw/zinc/54/21/66/1093542166.db2.gz AKAFZHGHAMFORW-LBPRGKRZSA-N -1 3 349.398 2.598 20 30 EFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCC1CCC(C#N)CC1 ZINC001590822875 1093582130 /nfs/dbraw/zinc/58/21/30/1093582130.db2.gz COWINOPBQNQRED-UHFFFAOYSA-N -1 3 327.388 2.974 20 30 EFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCC1CCC(C#N)CC1 ZINC001590822875 1093582136 /nfs/dbraw/zinc/58/21/36/1093582136.db2.gz COWINOPBQNQRED-UHFFFAOYSA-N -1 3 327.388 2.974 20 30 EFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1cc(C#N)ccc1F ZINC001590825100 1093583817 /nfs/dbraw/zinc/58/38/17/1093583817.db2.gz OCLHNGMDWXOHCU-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1cc(C#N)ccc1F ZINC001590825100 1093583823 /nfs/dbraw/zinc/58/38/23/1093583823.db2.gz OCLHNGMDWXOHCU-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1ccc(CCNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001590837616 1093592164 /nfs/dbraw/zinc/59/21/64/1093592164.db2.gz HHUKFXIFNLIVTM-UHFFFAOYSA-N -1 3 334.383 2.792 20 30 EFEDHM CCOc1ccc(CCNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001590837616 1093592182 /nfs/dbraw/zinc/59/21/82/1093592182.db2.gz HHUKFXIFNLIVTM-UHFFFAOYSA-N -1 3 334.383 2.792 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C#N)oc2C)s1 ZINC001590875197 1093609484 /nfs/dbraw/zinc/60/94/84/1093609484.db2.gz MUAUMQUPASDDOV-UHFFFAOYSA-N -1 3 328.357 2.516 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C#N)oc2C)s1 ZINC001590875197 1093609488 /nfs/dbraw/zinc/60/94/88/1093609488.db2.gz MUAUMQUPASDDOV-UHFFFAOYSA-N -1 3 328.357 2.516 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OCCOc1ccc(C#N)cc1 ZINC001590876994 1093611201 /nfs/dbraw/zinc/61/12/01/1093611201.db2.gz PJZLWPGNYBOAPR-UHFFFAOYSA-N -1 3 335.367 2.759 20 30 EFEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001590886056 1093615034 /nfs/dbraw/zinc/61/50/34/1093615034.db2.gz BHJHJLLMGOPIMV-KRWDZBQOSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1ccc([C@H](C#N)NC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001590886056 1093615042 /nfs/dbraw/zinc/61/50/42/1093615042.db2.gz BHJHJLLMGOPIMV-KRWDZBQOSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1ccc(C#CC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001590884583 1093615295 /nfs/dbraw/zinc/61/52/95/1093615295.db2.gz KIXJDRVJWVYTJW-UHFFFAOYSA-N -1 3 335.342 2.558 20 30 EFEDHM CCc1ccc(C#CC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001590884583 1093615297 /nfs/dbraw/zinc/61/52/97/1093615297.db2.gz KIXJDRVJWVYTJW-UHFFFAOYSA-N -1 3 335.342 2.558 20 30 EFEDHM CCc1ccc([C@H](C#N)N(C)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001590886804 1093616280 /nfs/dbraw/zinc/61/62/80/1093616280.db2.gz OHRJUVCQQDIQEU-KRWDZBQOSA-N -1 3 346.394 2.766 20 30 EFEDHM CCc1ccc([C@H](C#N)N(C)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001590886804 1093616287 /nfs/dbraw/zinc/61/62/87/1093616287.db2.gz OHRJUVCQQDIQEU-KRWDZBQOSA-N -1 3 346.394 2.766 20 30 EFEDHM CCn1c(C=NNc2ccc(-c3nn[n-]n3)cc2)nc2ccccc21 ZINC001590945037 1093638398 /nfs/dbraw/zinc/63/83/98/1093638398.db2.gz BWIYSRWMLYIJAA-UHFFFAOYSA-N -1 3 332.371 2.682 20 30 EFEDHM CCn1nc(C=NNc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC001590964592 1093640738 /nfs/dbraw/zinc/64/07/38/1093640738.db2.gz FRINIAAPVNOPRW-UHFFFAOYSA-N -1 3 332.371 2.682 20 30 EFEDHM CCn1nc(C=NNc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC001590964592 1093640741 /nfs/dbraw/zinc/64/07/41/1093640741.db2.gz FRINIAAPVNOPRW-UHFFFAOYSA-N -1 3 332.371 2.682 20 30 EFEDHM CN(C)c1ccc(C#N)cc1CNc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001591031934 1093654705 /nfs/dbraw/zinc/65/47/05/1093654705.db2.gz CRIJWCGSQOHHEA-UHFFFAOYSA-N -1 3 337.362 2.556 20 30 EFEDHM CN(C)c1ccc(C#N)cc1CNc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591031934 1093654712 /nfs/dbraw/zinc/65/47/12/1093654712.db2.gz CRIJWCGSQOHHEA-UHFFFAOYSA-N -1 3 337.362 2.556 20 30 EFEDHM CN(Cc1cc(-c2nnn[n-]2)ccc1Br)CC(C)(C)C#N ZINC001591126945 1093664967 /nfs/dbraw/zinc/66/49/67/1093664967.db2.gz PADJHDIOXDRFPK-UHFFFAOYSA-N -1 3 349.236 2.611 20 30 EFEDHM CN(Cc1cc(-c2nn[n-]n2)ccc1Br)CC(C)(C)C#N ZINC001591126945 1093664968 /nfs/dbraw/zinc/66/49/68/1093664968.db2.gz PADJHDIOXDRFPK-UHFFFAOYSA-N -1 3 349.236 2.611 20 30 EFEDHM COC1(CN=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CCC1 ZINC001591340492 1093698177 /nfs/dbraw/zinc/69/81/77/1093698177.db2.gz UNTHWTHCGHYPDN-UHFFFAOYSA-N -1 3 340.309 2.852 20 30 EFEDHM COC1(CN=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCC1 ZINC001591340492 1093698179 /nfs/dbraw/zinc/69/81/79/1093698179.db2.gz UNTHWTHCGHYPDN-UHFFFAOYSA-N -1 3 340.309 2.852 20 30 EFEDHM CO[C@H]1Cc2ccc(Nc3c(C#N)cccc3-c3nnn[n-]3)cc2C1 ZINC001591361819 1093706091 /nfs/dbraw/zinc/70/60/91/1093706091.db2.gz OOHKJGGEMLGTQU-HNNXBMFYSA-N -1 3 332.367 2.596 20 30 EFEDHM CO[C@H]1Cc2ccc(Nc3c(C#N)cccc3-c3nn[n-]n3)cc2C1 ZINC001591361819 1093706098 /nfs/dbraw/zinc/70/60/98/1093706098.db2.gz OOHKJGGEMLGTQU-HNNXBMFYSA-N -1 3 332.367 2.596 20 30 EFEDHM COCCC1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCCC1 ZINC001591401002 1093716974 /nfs/dbraw/zinc/71/69/74/1093716974.db2.gz LIWMJSBPKAPCKD-UHFFFAOYSA-N -1 3 326.404 2.747 20 30 EFEDHM COCCC1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCCC1 ZINC001591401002 1093716977 /nfs/dbraw/zinc/71/69/77/1093716977.db2.gz LIWMJSBPKAPCKD-UHFFFAOYSA-N -1 3 326.404 2.747 20 30 EFEDHM COc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001591517755 1093748091 /nfs/dbraw/zinc/74/80/91/1093748091.db2.gz GHAMMUXVTXCLQK-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C(=O)O[C@@H](C)c2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001591517755 1093748095 /nfs/dbraw/zinc/74/80/95/1093748095.db2.gz GHAMMUXVTXCLQK-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc(OC)c1 ZINC001591522407 1093748884 /nfs/dbraw/zinc/74/88/84/1093748884.db2.gz IPBZHMGFYGMOKN-RZNTYIFUSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc(OC)c1 ZINC001591522407 1093748888 /nfs/dbraw/zinc/74/88/88/1093748888.db2.gz IPBZHMGFYGMOKN-RZNTYIFUSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc(C=C2Cc3ccc(C#N)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001591522844 1093750690 /nfs/dbraw/zinc/75/06/90/1093750690.db2.gz MRCSKYMODANGPV-NSIKDUERSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1cc(C=C2Cc3ccc(C#N)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001591522844 1093750696 /nfs/dbraw/zinc/75/06/96/1093750696.db2.gz MRCSKYMODANGPV-NSIKDUERSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1cc(C=NNc2cccc3ncccc32)ccc1-c1nnn[n-]1 ZINC001591523258 1093751442 /nfs/dbraw/zinc/75/14/42/1093751442.db2.gz TXYXTDCCWVVSSH-UHFFFAOYSA-N -1 3 345.366 2.870 20 30 EFEDHM COc1cc(C=NNc2cccc3ncccc32)ccc1-c1nn[n-]n1 ZINC001591523258 1093751449 /nfs/dbraw/zinc/75/14/49/1093751449.db2.gz TXYXTDCCWVVSSH-UHFFFAOYSA-N -1 3 345.366 2.870 20 30 EFEDHM COc1cc2c(cc1F)CCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC001591555319 1093766621 /nfs/dbraw/zinc/76/66/21/1093766621.db2.gz SXNIPPXIOIALAV-UHFFFAOYSA-N -1 3 338.346 2.777 20 30 EFEDHM COc1cc2c(cc1F)CCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC001591555319 1093766624 /nfs/dbraw/zinc/76/66/24/1093766624.db2.gz SXNIPPXIOIALAV-UHFFFAOYSA-N -1 3 338.346 2.777 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC001591554638 1093766967 /nfs/dbraw/zinc/76/69/67/1093766967.db2.gz FZYDGMGJCUTNDK-AWNIVKPZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC001591554638 1093766976 /nfs/dbraw/zinc/76/69/76/1093766976.db2.gz FZYDGMGJCUTNDK-AWNIVKPZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc2c(c1)CC[C@H](Nc1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001591627551 1093806167 /nfs/dbraw/zinc/80/61/67/1093806167.db2.gz ZXSJQGHOBODWOD-HNNXBMFYSA-N -1 3 346.394 2.716 20 30 EFEDHM COc1ccc2c(c1)CC[C@H](Nc1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001591627551 1093806173 /nfs/dbraw/zinc/80/61/73/1093806173.db2.gz ZXSJQGHOBODWOD-HNNXBMFYSA-N -1 3 346.394 2.716 20 30 EFEDHM COc1ncc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001591662935 1093823182 /nfs/dbraw/zinc/82/31/82/1093823182.db2.gz TZFACODAVHQBSM-UHFFFAOYSA-N -1 3 343.778 2.760 20 30 EFEDHM C[C@H](OC(=O)Cc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001591771213 1093854204 /nfs/dbraw/zinc/85/42/04/1093854204.db2.gz IFTLJRYFVAGWDL-LBPRGKRZSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@H](OC(=O)Cc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001591771213 1093854208 /nfs/dbraw/zinc/85/42/08/1093854208.db2.gz IFTLJRYFVAGWDL-LBPRGKRZSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@H](OC(=O)c1cscc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001591771315 1093855182 /nfs/dbraw/zinc/85/51/82/1093855182.db2.gz OULMQWRCRNKBDT-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](OC(=O)c1cscc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001591771315 1093855185 /nfs/dbraw/zinc/85/51/85/1093855185.db2.gz OULMQWRCRNKBDT-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001591799827 1093863614 /nfs/dbraw/zinc/86/36/14/1093863614.db2.gz QGMBXKDCHKYRNY-UHFFFAOYSA-N -1 3 349.398 2.856 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001591799827 1093863616 /nfs/dbraw/zinc/86/36/16/1093863616.db2.gz QGMBXKDCHKYRNY-UHFFFAOYSA-N -1 3 349.398 2.856 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001591800142 1093863736 /nfs/dbraw/zinc/86/37/36/1093863736.db2.gz WSTMPNZVFICTND-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001591800142 1093863738 /nfs/dbraw/zinc/86/37/38/1093863738.db2.gz WSTMPNZVFICTND-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C(=O)NC(C)(C)c2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC001591805768 1093864992 /nfs/dbraw/zinc/86/49/92/1093864992.db2.gz PVXMMAMRIGBZRU-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1c(C(=O)NC(C)(C)c2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC001591805768 1093864999 /nfs/dbraw/zinc/86/49/99/1093864999.db2.gz PVXMMAMRIGBZRU-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1c(C(=O)N[C@H](CCC#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC001591806379 1093866934 /nfs/dbraw/zinc/86/69/34/1093866934.db2.gz RRRMHJYQXWLZPK-QGZVFWFLSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1c(C(=O)N[C@H](CCC#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC001591806379 1093866936 /nfs/dbraw/zinc/86/69/36/1093866936.db2.gz RRRMHJYQXWLZPK-QGZVFWFLSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1c(C(=O)O[C@H](C#N)C2CCCCC2)cccc1-c1nnn[n-]1 ZINC001591812850 1093868134 /nfs/dbraw/zinc/86/81/34/1093868134.db2.gz KEXHMBCQGOTPBK-OAHLLOKOSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1c(C(=O)O[C@H](C#N)C2CCCCC2)cccc1-c1nn[n-]n1 ZINC001591812850 1093868137 /nfs/dbraw/zinc/86/81/37/1093868137.db2.gz KEXHMBCQGOTPBK-OAHLLOKOSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1c(C(=O)OCc2cccc(C#N)c2F)cccc1-c1nnn[n-]1 ZINC001591815417 1093868267 /nfs/dbraw/zinc/86/82/67/1093868267.db2.gz XUGJVEHDAVWYKZ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C(=O)OCc2cccc(C#N)c2F)cccc1-c1nn[n-]n1 ZINC001591815417 1093868272 /nfs/dbraw/zinc/86/82/72/1093868272.db2.gz XUGJVEHDAVWYKZ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NN[C@@H]1CC(C)(C)OC1(C)C ZINC001591839366 1093879013 /nfs/dbraw/zinc/87/90/13/1093879013.db2.gz MLWFTVYJNFVNTB-OAHLLOKOSA-N -1 3 342.447 2.753 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NN[C@@H]1CC(C)(C)OC1(C)C ZINC001591839366 1093879021 /nfs/dbraw/zinc/87/90/21/1093879021.db2.gz MLWFTVYJNFVNTB-OAHLLOKOSA-N -1 3 342.447 2.753 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=CC(=O)c1cc2n(n1)CCCC2 ZINC001591840482 1093879344 /nfs/dbraw/zinc/87/93/44/1093879344.db2.gz XTUOCYCLIDHIGT-VOTSOKGWSA-N -1 3 348.410 2.912 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=CC(=O)c1cc2n(n1)CCCC2 ZINC001591840482 1093879353 /nfs/dbraw/zinc/87/93/53/1093879353.db2.gz XTUOCYCLIDHIGT-VOTSOKGWSA-N -1 3 348.410 2.912 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)O[C@H](C)CC(C)(C)C#N ZINC001591845024 1093882311 /nfs/dbraw/zinc/88/23/11/1093882311.db2.gz LFMORLZEIVSBFP-CYBMUJFWSA-N -1 3 341.415 2.898 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)O[C@H](C)CC(C)(C)C#N ZINC001591845024 1093882321 /nfs/dbraw/zinc/88/23/21/1093882321.db2.gz LFMORLZEIVSBFP-CYBMUJFWSA-N -1 3 341.415 2.898 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C)c1C#N ZINC001591919707 1093916889 /nfs/dbraw/zinc/91/68/89/1093916889.db2.gz UXWZIXKNOOEADR-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc(C)c1C#N ZINC001591919707 1093916896 /nfs/dbraw/zinc/91/68/96/1093916896.db2.gz UXWZIXKNOOEADR-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)Nc2cc(F)cc(C#N)c2)cc(C)c1-c1nnn[n-]1 ZINC001591932648 1093918856 /nfs/dbraw/zinc/91/88/56/1093918856.db2.gz WCYUHJHPLYSURN-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(=O)Nc2cc(F)cc(C#N)c2)cc(C)c1-c1nn[n-]n1 ZINC001591932648 1093918865 /nfs/dbraw/zinc/91/88/65/1093918865.db2.gz WCYUHJHPLYSURN-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc(C)c1C#N ZINC001591932681 1093919522 /nfs/dbraw/zinc/91/95/22/1093919522.db2.gz ZCZQUYMMCCDCOG-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc(C)c1C#N ZINC001591932681 1093919528 /nfs/dbraw/zinc/91/95/28/1093919528.db2.gz ZCZQUYMMCCDCOG-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(=O)OCc2ccc(CC#N)cc2)cc(C)c1-c1nnn[n-]1 ZINC001591937104 1093920532 /nfs/dbraw/zinc/92/05/32/1093920532.db2.gz HYPONHHBLLJXRK-UHFFFAOYSA-N -1 3 347.378 2.907 20 30 EFEDHM Cc1cc(C(=O)OCc2ccc(CC#N)cc2)cc(C)c1-c1nn[n-]n1 ZINC001591937104 1093920539 /nfs/dbraw/zinc/92/05/39/1093920539.db2.gz HYPONHHBLLJXRK-UHFFFAOYSA-N -1 3 347.378 2.907 20 30 EFEDHM Cc1cc(C(=O)Nc2cccc(CC#N)c2)cc(C)c1-c1nnn[n-]1 ZINC001591933935 1093922054 /nfs/dbraw/zinc/92/20/54/1093922054.db2.gz UKLYGBZMUDGYRR-UHFFFAOYSA-N -1 3 332.367 2.802 20 30 EFEDHM Cc1cc(C(=O)Nc2cccc(CC#N)c2)cc(C)c1-c1nn[n-]n1 ZINC001591933935 1093922060 /nfs/dbraw/zinc/92/20/60/1093922060.db2.gz UKLYGBZMUDGYRR-UHFFFAOYSA-N -1 3 332.367 2.802 20 30 EFEDHM Cc1cc(C)c(C#N)c(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001591945981 1093927288 /nfs/dbraw/zinc/92/72/88/1093927288.db2.gz WEFYSYOCQZGGGZ-INIZCTEOSA-N -1 3 331.383 2.850 20 30 EFEDHM Cc1cc(C)c(C#N)c(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001591945981 1093927290 /nfs/dbraw/zinc/92/72/90/1093927290.db2.gz WEFYSYOCQZGGGZ-INIZCTEOSA-N -1 3 331.383 2.850 20 30 EFEDHM Cc1cc(C=CC(=O)c2cn3ccccc3n2)ccc1-c1nnn[n-]1 ZINC001591959636 1093932767 /nfs/dbraw/zinc/93/27/67/1093932767.db2.gz UGSZJEBAOLPKSB-SOFGYWHQSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cc(C=CC(=O)c2cn3ccccc3n2)ccc1-c1nn[n-]n1 ZINC001591959636 1093932770 /nfs/dbraw/zinc/93/27/70/1093932770.db2.gz UGSZJEBAOLPKSB-SOFGYWHQSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1C#N ZINC001591958329 1093932888 /nfs/dbraw/zinc/93/28/88/1093932888.db2.gz ARDBRVNIHHRHGY-UHFFFAOYSA-N -1 3 338.762 2.541 20 30 EFEDHM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1C#N ZINC001591958329 1093932892 /nfs/dbraw/zinc/93/28/92/1093932892.db2.gz ARDBRVNIHHRHGY-UHFFFAOYSA-N -1 3 338.762 2.541 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccnn2C2CCC2)ccc1-c1nnn[n-]1 ZINC001591959118 1093932915 /nfs/dbraw/zinc/93/29/15/1093932915.db2.gz LQHULGBUVOZLJQ-SOFGYWHQSA-N -1 3 334.383 2.993 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccnn2C2CCC2)ccc1-c1nn[n-]n1 ZINC001591959118 1093932919 /nfs/dbraw/zinc/93/29/19/1093932919.db2.gz LQHULGBUVOZLJQ-SOFGYWHQSA-N -1 3 334.383 2.993 20 30 EFEDHM Cc1cc(C=C2c3ccc(C#N)cc3NC2=O)ccc1-c1nnn[n-]1 ZINC001591958764 1093932991 /nfs/dbraw/zinc/93/29/91/1093932991.db2.gz GZNXJABFZCLCHV-VIZOYTHASA-N -1 3 328.335 2.540 20 30 EFEDHM Cc1cc(C=C2c3ccc(C#N)cc3NC2=O)ccc1-c1nn[n-]n1 ZINC001591958764 1093932994 /nfs/dbraw/zinc/93/29/94/1093932994.db2.gz GZNXJABFZCLCHV-VIZOYTHASA-N -1 3 328.335 2.540 20 30 EFEDHM Cc1cc(C=CC(=O)c2cnn(C3CCC3)c2)ccc1-c1nnn[n-]1 ZINC001591959624 1093933375 /nfs/dbraw/zinc/93/33/75/1093933375.db2.gz TXWIHSPUFCPAEU-SOFGYWHQSA-N -1 3 334.383 2.993 20 30 EFEDHM Cc1cc(C=CC(=O)c2cnn(C3CCC3)c2)ccc1-c1nn[n-]n1 ZINC001591959624 1093933378 /nfs/dbraw/zinc/93/33/78/1093933378.db2.gz TXWIHSPUFCPAEU-SOFGYWHQSA-N -1 3 334.383 2.993 20 30 EFEDHM Cc1cc(C=CC(=O)c2cn3ccccc3n2)ccc1-c1nnn[n-]1 ZINC001591959637 1093933521 /nfs/dbraw/zinc/93/35/21/1093933521.db2.gz UGSZJEBAOLPKSB-VURMDHGXSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cc(C=CC(=O)c2cn3ccccc3n2)ccc1-c1nn[n-]n1 ZINC001591959637 1093933523 /nfs/dbraw/zinc/93/35/23/1093933523.db2.gz UGSZJEBAOLPKSB-VURMDHGXSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cc(Cl)cc(C#N)c1OCc1cc(-c2nnn[n-]2)ccn1 ZINC001591975692 1093941930 /nfs/dbraw/zinc/94/19/30/1093941930.db2.gz QAJNOLMOPJPYMA-UHFFFAOYSA-N -1 3 326.747 2.674 20 30 EFEDHM Cc1cc(Cl)cc(C#N)c1OCc1cc(-c2nn[n-]n2)ccn1 ZINC001591975692 1093941933 /nfs/dbraw/zinc/94/19/33/1093941933.db2.gz QAJNOLMOPJPYMA-UHFFFAOYSA-N -1 3 326.747 2.674 20 30 EFEDHM Cc1cc(F)ccc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001591992620 1093950247 /nfs/dbraw/zinc/95/02/47/1093950247.db2.gz SHYNHCXAWGFJKZ-QPEQYQDCSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1cc(F)ccc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001591992620 1093950253 /nfs/dbraw/zinc/95/02/53/1093950253.db2.gz SHYNHCXAWGFJKZ-QPEQYQDCSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001592023617 1093956944 /nfs/dbraw/zinc/95/69/44/1093956944.db2.gz FKJOENZQHRKFGI-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001592023617 1093956947 /nfs/dbraw/zinc/95/69/47/1093956947.db2.gz FKJOENZQHRKFGI-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc(-c2nnn[n-]2)c1 ZINC001592023305 1093957369 /nfs/dbraw/zinc/95/73/69/1093957369.db2.gz BFAYXEANSVZIAE-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc(-c2nn[n-]n2)c1 ZINC001592023305 1093957373 /nfs/dbraw/zinc/95/73/73/1093957373.db2.gz BFAYXEANSVZIAE-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)cc(-c2nnn[n-]2)c1 ZINC001592031835 1093960671 /nfs/dbraw/zinc/96/06/71/1093960671.db2.gz QKISVQSDZNNQIZ-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1cc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)cc(-c2nn[n-]n2)c1 ZINC001592031835 1093960674 /nfs/dbraw/zinc/96/06/74/1093960674.db2.gz QKISVQSDZNNQIZ-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)ncc1-c1nnn[n-]1 ZINC001592039067 1093964212 /nfs/dbraw/zinc/96/42/12/1093964212.db2.gz UCOXDQJNYJATSL-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)ncc1-c1nn[n-]n1 ZINC001592039067 1093964214 /nfs/dbraw/zinc/96/42/14/1093964214.db2.gz UCOXDQJNYJATSL-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1cc(OC(=O)c2ccsc2C#N)c(C)c(C)c1-c1nn[n-]n1 ZINC001592060287 1093971010 /nfs/dbraw/zinc/97/10/10/1093971010.db2.gz LDFUPZGKWIAXJZ-UHFFFAOYSA-N -1 3 339.380 2.944 20 30 EFEDHM Cc1cc(OC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)ccc1C#N ZINC001592058606 1093971125 /nfs/dbraw/zinc/97/11/25/1093971125.db2.gz XZWHBUBEJOSOGG-UHFFFAOYSA-N -1 3 333.351 2.883 20 30 EFEDHM Cc1cc(OC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)ccc1C#N ZINC001592058606 1093971127 /nfs/dbraw/zinc/97/11/27/1093971127.db2.gz XZWHBUBEJOSOGG-UHFFFAOYSA-N -1 3 333.351 2.883 20 30 EFEDHM Cc1cc(OC(=O)c2sccc2-c2nnn[n-]2)c(C)c(C)c1C#N ZINC001592060258 1093971297 /nfs/dbraw/zinc/97/12/97/1093971297.db2.gz KYJYHELHZAPERW-UHFFFAOYSA-N -1 3 339.380 2.944 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C#N)cc1Cl ZINC001592100611 1093980741 /nfs/dbraw/zinc/98/07/41/1093980741.db2.gz UVMZHCTWATYRBJ-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C#N)cc1Cl ZINC001592100611 1093980745 /nfs/dbraw/zinc/98/07/45/1093980745.db2.gz UVMZHCTWATYRBJ-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001592107168 1093983789 /nfs/dbraw/zinc/98/37/89/1093983789.db2.gz KFZNYNQYFLUQEM-JKSUJKDBSA-N -1 3 344.378 2.789 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001592107168 1093983791 /nfs/dbraw/zinc/98/37/91/1093983791.db2.gz KFZNYNQYFLUQEM-JKSUJKDBSA-N -1 3 344.378 2.789 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001592107144 1093983876 /nfs/dbraw/zinc/98/38/76/1093983876.db2.gz ITZMDZGHHMPLBH-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001592107144 1093983880 /nfs/dbraw/zinc/98/38/80/1093983880.db2.gz ITZMDZGHHMPLBH-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001592113428 1093984472 /nfs/dbraw/zinc/98/44/72/1093984472.db2.gz MSFCQADBHCMCCQ-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001592113428 1093984476 /nfs/dbraw/zinc/98/44/76/1093984476.db2.gz MSFCQADBHCMCCQ-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001592113257 1093984590 /nfs/dbraw/zinc/98/45/90/1093984590.db2.gz KVMOMSMZLTUWOG-UHFFFAOYSA-N -1 3 347.382 2.677 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001592113257 1093984593 /nfs/dbraw/zinc/98/45/93/1093984593.db2.gz KVMOMSMZLTUWOG-UHFFFAOYSA-N -1 3 347.382 2.677 20 30 EFEDHM Cc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1C#N ZINC001592132800 1093991799 /nfs/dbraw/zinc/99/17/99/1093991799.db2.gz GBRJUVAYEUJDNT-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1C#N ZINC001592132800 1093991801 /nfs/dbraw/zinc/99/18/01/1093991801.db2.gz GBRJUVAYEUJDNT-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)nc1C#N ZINC001592177866 1094017628 /nfs/dbraw/zinc/01/76/28/1094017628.db2.gz MQMHGLSLJGTQRA-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCSc1ccc(C)c(C)c1 ZINC001592198082 1094025754 /nfs/dbraw/zinc/02/57/54/1094025754.db2.gz LNZUBWRSRMPTNG-UHFFFAOYSA-N -1 3 339.428 2.652 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCSc1ccc(C)c(C)c1 ZINC001592198082 1094025759 /nfs/dbraw/zinc/02/57/59/1094025759.db2.gz LNZUBWRSRMPTNG-UHFFFAOYSA-N -1 3 339.428 2.652 20 30 EFEDHM Cc1cccc2nc(CNc3c(C#N)cccc3-c3nnn[n-]3)n(C)c21 ZINC001592247592 1094049297 /nfs/dbraw/zinc/04/92/97/1094049297.db2.gz RHCLDAJXEHFSNJ-UHFFFAOYSA-N -1 3 344.382 2.546 20 30 EFEDHM Cc1cccc2nc(CNc3c(C#N)cccc3-c3nn[n-]n3)n(C)c21 ZINC001592247592 1094049304 /nfs/dbraw/zinc/04/93/04/1094049304.db2.gz RHCLDAJXEHFSNJ-UHFFFAOYSA-N -1 3 344.382 2.546 20 30 EFEDHM Cc1ccnc(NC(C)(C)Cc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001592273327 1094060287 /nfs/dbraw/zinc/06/02/87/1094060287.db2.gz WVSXCZJYAZEEJG-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1ccnc(NC(C)(C)Cc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001592273327 1094060294 /nfs/dbraw/zinc/06/02/94/1094060294.db2.gz WVSXCZJYAZEEJG-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1cn2c(C=NNc3cccc(-c4nn[n-]n4)c3)c(C)nc2s1 ZINC001592288768 1094067047 /nfs/dbraw/zinc/06/70/47/1094067047.db2.gz OSWHNPLAKLWAPB-UHFFFAOYSA-N -1 3 338.400 2.639 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C/C=C\c1ccc(Cl)cc1 ZINC001592341206 1094082350 /nfs/dbraw/zinc/08/23/50/1094082350.db2.gz RXPIHMAQRKJCQZ-IHWYPQMZSA-N -1 3 325.763 2.610 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C/C=C\c1ccc(Cl)cc1 ZINC001592341206 1094082354 /nfs/dbraw/zinc/08/23/54/1094082354.db2.gz RXPIHMAQRKJCQZ-IHWYPQMZSA-N -1 3 325.763 2.610 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCCSCc1ccccc1 ZINC001592341464 1094082975 /nfs/dbraw/zinc/08/29/75/1094082975.db2.gz ZVIVZRRUUUHNJU-UHFFFAOYSA-N -1 3 339.428 2.567 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCCSCc1ccccc1 ZINC001592341464 1094082979 /nfs/dbraw/zinc/08/29/79/1094082979.db2.gz ZVIVZRRUUUHNJU-UHFFFAOYSA-N -1 3 339.428 2.567 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1CSc1nc(C)nc(C)c1C#N ZINC001592353184 1094085064 /nfs/dbraw/zinc/08/50/64/1094085064.db2.gz HUSXFYMBXUPLSD-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1CSc1nc(C)nc(C)c1C#N ZINC001592353184 1094085070 /nfs/dbraw/zinc/08/50/70/1094085070.db2.gz HUSXFYMBXUPLSD-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1nc(C)c(C#N)c(S[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC001592353235 1094085445 /nfs/dbraw/zinc/08/54/45/1094085445.db2.gz KDUOSPKXFXGSNF-SNVBAGLBSA-N -1 3 337.412 2.999 20 30 EFEDHM Cc1nc(C)c(C#N)c(S[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001592353235 1094085451 /nfs/dbraw/zinc/08/54/51/1094085451.db2.gz KDUOSPKXFXGSNF-SNVBAGLBSA-N -1 3 337.412 2.999 20 30 EFEDHM Cc1nc(Cl)cc(N=NCCCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592362666 1094088728 /nfs/dbraw/zinc/08/87/28/1094088728.db2.gz SKOUQXZNKSEOSM-UHFFFAOYSA-N -1 3 342.794 2.649 20 30 EFEDHM Cc1nc(Cl)cc(N=NCCCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592362666 1094088735 /nfs/dbraw/zinc/08/87/35/1094088735.db2.gz SKOUQXZNKSEOSM-UHFFFAOYSA-N -1 3 342.794 2.649 20 30 EFEDHM Cc1nc(N2Cc3ccc(C#N)cc3C2)c(Cl)cc1-c1nnn[n-]1 ZINC001592374319 1094092048 /nfs/dbraw/zinc/09/20/48/1094092048.db2.gz RKOJIXZSSFSERO-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1nc(N2Cc3ccc(C#N)cc3C2)c(Cl)cc1-c1nn[n-]n1 ZINC001592374319 1094092055 /nfs/dbraw/zinc/09/20/55/1094092055.db2.gz RKOJIXZSSFSERO-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cn1cc(C=CC(=O)c2ccccc2-c2nnn[n-]2)c(C(C)(C)C)n1 ZINC001592567002 1094134939 /nfs/dbraw/zinc/13/49/39/1094134939.db2.gz NBTUQBMPPGQMIX-KTKRTIGZSA-N -1 3 336.399 2.794 20 30 EFEDHM Cn1cc(C=CC(=O)c2ccccc2-c2nn[n-]n2)c(C(C)(C)C)n1 ZINC001592567002 1094134941 /nfs/dbraw/zinc/13/49/41/1094134941.db2.gz NBTUQBMPPGQMIX-KTKRTIGZSA-N -1 3 336.399 2.794 20 30 EFEDHM FC(F)Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592626762 1094144984 /nfs/dbraw/zinc/14/49/84/1094144984.db2.gz ULFCHSGKUNURAJ-UHFFFAOYSA-N -1 3 330.298 2.914 20 30 EFEDHM Fc1cccnc1N=NCc1ccc(F)c(-c2nnn[n-]2)c1Cl ZINC001592661186 1094171977 /nfs/dbraw/zinc/17/19/77/1094171977.db2.gz OWBSNBPLVDKRKX-UHFFFAOYSA-N -1 3 335.705 2.639 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592669680 1094173137 /nfs/dbraw/zinc/17/31/37/1094173137.db2.gz RATFUTYAYRVYPF-ZWKOTPCHSA-N -1 3 346.394 2.505 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592669680 1094173142 /nfs/dbraw/zinc/17/31/42/1094173142.db2.gz RATFUTYAYRVYPF-ZWKOTPCHSA-N -1 3 346.394 2.505 20 30 EFEDHM N#CC1(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CCCCC1 ZINC001592667227 1094173611 /nfs/dbraw/zinc/17/36/11/1094173611.db2.gz SORJYUOWFYIRBV-UHFFFAOYSA-N -1 3 336.399 2.620 20 30 EFEDHM N#CC1(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CCCCC1 ZINC001592667227 1094173614 /nfs/dbraw/zinc/17/36/14/1094173614.db2.gz SORJYUOWFYIRBV-UHFFFAOYSA-N -1 3 336.399 2.620 20 30 EFEDHM N#CC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCC1 ZINC001592669128 1094173730 /nfs/dbraw/zinc/17/37/30/1094173730.db2.gz FXCBBVRSLVEUNF-UHFFFAOYSA-N -1 3 341.325 2.799 20 30 EFEDHM N#CC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCC1 ZINC001592669128 1094173732 /nfs/dbraw/zinc/17/37/32/1094173732.db2.gz FXCBBVRSLVEUNF-UHFFFAOYSA-N -1 3 341.325 2.799 20 30 EFEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001592672034 1094174305 /nfs/dbraw/zinc/17/43/05/1094174305.db2.gz BCFWJYPPQUDSHG-MWLCHTKSSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001592672034 1094174310 /nfs/dbraw/zinc/17/43/10/1094174310.db2.gz BCFWJYPPQUDSHG-MWLCHTKSSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672683 1094174775 /nfs/dbraw/zinc/17/47/75/1094174775.db2.gz MIZFRZDTSWSZOA-IPOQPSJVSA-N -1 3 337.383 2.596 20 30 EFEDHM N#C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592672683 1094174779 /nfs/dbraw/zinc/17/47/79/1094174779.db2.gz MIZFRZDTSWSZOA-IPOQPSJVSA-N -1 3 337.383 2.596 20 30 EFEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC001592671978 1094174862 /nfs/dbraw/zinc/17/48/62/1094174862.db2.gz ADIBMJCCFBDTPR-KOLCDFICSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC001592671978 1094174864 /nfs/dbraw/zinc/17/48/64/1094174864.db2.gz ADIBMJCCFBDTPR-KOLCDFICSA-N -1 3 331.763 2.759 20 30 EFEDHM N#CCCCOC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001592676600 1094175055 /nfs/dbraw/zinc/17/50/55/1094175055.db2.gz YSQKDZHIXVGTDM-UHFFFAOYSA-N -1 3 325.372 2.525 20 30 EFEDHM N#CCCCOC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001592676600 1094175058 /nfs/dbraw/zinc/17/50/58/1094175058.db2.gz YSQKDZHIXVGTDM-UHFFFAOYSA-N -1 3 325.372 2.525 20 30 EFEDHM N#Cc1c(-c2nnn[n-]2)c2c(nc1N1C3CCC1CC3)CCCCCC2 ZINC001592686020 1094175845 /nfs/dbraw/zinc/17/58/45/1094175845.db2.gz DQQUNQJZBDFBER-UHFFFAOYSA-N -1 3 349.442 2.924 20 30 EFEDHM N#Cc1c(-c2nn[n-]n2)c2c(nc1N1C3CCC1CC3)CCCCCC2 ZINC001592686020 1094175849 /nfs/dbraw/zinc/17/58/49/1094175849.db2.gz DQQUNQJZBDFBER-UHFFFAOYSA-N -1 3 349.442 2.924 20 30 EFEDHM N#CCc1cccc2c1CCN(Cc1cccc(F)c1-c1nnn[n-]1)C2 ZINC001592680632 1094176342 /nfs/dbraw/zinc/17/63/42/1094176342.db2.gz AQTJRMCCXYEEQC-UHFFFAOYSA-N -1 3 348.385 2.630 20 30 EFEDHM N#CCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592678552 1094176345 /nfs/dbraw/zinc/17/63/45/1094176345.db2.gz ZWLGNQQHDYDPKX-UHFFFAOYSA-N -1 3 349.354 2.694 20 30 EFEDHM N#CCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592678552 1094176347 /nfs/dbraw/zinc/17/63/47/1094176347.db2.gz ZWLGNQQHDYDPKX-UHFFFAOYSA-N -1 3 349.354 2.694 20 30 EFEDHM N#CC[C@@H]1CC[C@H](Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC001592681550 1094176356 /nfs/dbraw/zinc/17/63/56/1094176356.db2.gz DHQMSECQUBEMJC-STQMWFEESA-N -1 3 334.387 2.547 20 30 EFEDHM N#CC[C@@H]1CC[C@H](Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC001592681550 1094176359 /nfs/dbraw/zinc/17/63/59/1094176359.db2.gz DHQMSECQUBEMJC-STQMWFEESA-N -1 3 334.387 2.547 20 30 EFEDHM N#CCOc1cc(F)ccc1NCc1cccc(F)c1-c1nnn[n-]1 ZINC001592678861 1094176693 /nfs/dbraw/zinc/17/66/93/1094176693.db2.gz VBKMRNVWGFETGP-UHFFFAOYSA-N -1 3 342.309 2.659 20 30 EFEDHM N#CCOc1cc(F)ccc1NCc1cccc(F)c1-c1nn[n-]n1 ZINC001592678861 1094176695 /nfs/dbraw/zinc/17/66/95/1094176695.db2.gz VBKMRNVWGFETGP-UHFFFAOYSA-N -1 3 342.309 2.659 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)ccc1F ZINC001592689322 1094177256 /nfs/dbraw/zinc/17/72/56/1094177256.db2.gz TUJNDHUQYLEQBI-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)ccc1F ZINC001592689322 1094177259 /nfs/dbraw/zinc/17/72/59/1094177259.db2.gz TUJNDHUQYLEQBI-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)ccc1Cl ZINC001592687820 1094177455 /nfs/dbraw/zinc/17/74/55/1094177455.db2.gz IVDDQIIUWOMQDW-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)ccc1Cl ZINC001592687820 1094177457 /nfs/dbraw/zinc/17/74/57/1094177457.db2.gz IVDDQIIUWOMQDW-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC001592689239 1094177582 /nfs/dbraw/zinc/17/75/82/1094177582.db2.gz NJPGGGQKXFOGMC-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC001592689239 1094177584 /nfs/dbraw/zinc/17/75/84/1094177584.db2.gz NJPGGGQKXFOGMC-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC001592686899 1094177866 /nfs/dbraw/zinc/17/78/66/1094177866.db2.gz PHWRXBJSIIRODT-UHFFFAOYSA-N -1 3 336.380 2.541 20 30 EFEDHM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC001592686899 1094177869 /nfs/dbraw/zinc/17/78/69/1094177869.db2.gz PHWRXBJSIIRODT-UHFFFAOYSA-N -1 3 336.380 2.541 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(SC/C=C\c2ccccc2)nc1N ZINC001592687173 1094177896 /nfs/dbraw/zinc/17/78/96/1094177896.db2.gz OHOMMHXQIQMMNN-DAXSKMNVSA-N -1 3 335.396 2.521 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(SC/C=C\c2ccccc2)nc1N ZINC001592687173 1094177897 /nfs/dbraw/zinc/17/78/97/1094177897.db2.gz OHOMMHXQIQMMNN-DAXSKMNVSA-N -1 3 335.396 2.521 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3c(c2)CCC=C3)ccc1-c1nnn[n-]1 ZINC001592690136 1094178014 /nfs/dbraw/zinc/17/80/14/1094178014.db2.gz MWVPXEQHMKOBKR-UHFFFAOYSA-N -1 3 342.362 2.950 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3c(c2)CCC=C3)ccc1-c1nn[n-]n1 ZINC001592690136 1094178019 /nfs/dbraw/zinc/17/80/19/1094178019.db2.gz MWVPXEQHMKOBKR-UHFFFAOYSA-N -1 3 342.362 2.950 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC001592695150 1094178872 /nfs/dbraw/zinc/17/88/72/1094178872.db2.gz HCUWNVUPRQMOKB-UHFFFAOYSA-N -1 3 344.787 2.634 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC001592695150 1094178876 /nfs/dbraw/zinc/17/88/76/1094178876.db2.gz HCUWNVUPRQMOKB-UHFFFAOYSA-N -1 3 344.787 2.634 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)s1 ZINC001592690552 1094179446 /nfs/dbraw/zinc/17/94/46/1094179446.db2.gz FJTISQPXDYUNKU-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)s1 ZINC001592690552 1094179452 /nfs/dbraw/zinc/17/94/52/1094179452.db2.gz FJTISQPXDYUNKU-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1ccc2c(c1)N(Cc1cc(Cl)cc(-c3nnn[n-]3)c1)CC2 ZINC001592697925 1094179970 /nfs/dbraw/zinc/17/99/70/1094179970.db2.gz BTUBWQCQSJUSGX-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1ccc2c(c1)N(Cc1cc(Cl)cc(-c3nn[n-]n3)c1)CC2 ZINC001592697925 1094179973 /nfs/dbraw/zinc/17/99/73/1094179973.db2.gz BTUBWQCQSJUSGX-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592697794 1094180324 /nfs/dbraw/zinc/18/03/24/1094180324.db2.gz SHGFESALZPOFAN-QGZVFWFLSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592697794 1094180329 /nfs/dbraw/zinc/18/03/29/1094180329.db2.gz SHGFESALZPOFAN-QGZVFWFLSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc2c(c1)N(Cc1ccc(-c3nnn[n-]3)cc1Cl)CC2 ZINC001592698228 1094180667 /nfs/dbraw/zinc/18/06/67/1094180667.db2.gz PLSTWKXZPKKPOH-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1ccc2c(c1)N(Cc1ccc(-c3nn[n-]n3)cc1Cl)CC2 ZINC001592698228 1094180669 /nfs/dbraw/zinc/18/06/69/1094180669.db2.gz PLSTWKXZPKKPOH-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCN1CCc2ccccc21 ZINC001592699528 1094181388 /nfs/dbraw/zinc/18/13/88/1094181388.db2.gz CWQMSTUUIWXNTN-UHFFFAOYSA-N -1 3 345.410 2.603 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCN1CCc2ccccc21 ZINC001592699528 1094181390 /nfs/dbraw/zinc/18/13/90/1094181390.db2.gz CWQMSTUUIWXNTN-UHFFFAOYSA-N -1 3 345.410 2.603 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCOc1cccc(Cl)c1 ZINC001592699707 1094181399 /nfs/dbraw/zinc/18/13/99/1094181399.db2.gz JBMBXCXWPGPLJC-UHFFFAOYSA-N -1 3 340.774 2.883 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCOc1cccc(Cl)c1 ZINC001592699707 1094181400 /nfs/dbraw/zinc/18/14/00/1094181400.db2.gz JBMBXCXWPGPLJC-UHFFFAOYSA-N -1 3 340.774 2.883 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccc(-n2ccnc2)cc1 ZINC001592699719 1094181476 /nfs/dbraw/zinc/18/14/76/1094181476.db2.gz JNQQFDBKXDPCIG-UHFFFAOYSA-N -1 3 342.366 2.536 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc(-n2ccnc2)cc1 ZINC001592699719 1094181479 /nfs/dbraw/zinc/18/14/79/1094181479.db2.gz JNQQFDBKXDPCIG-UHFFFAOYSA-N -1 3 342.366 2.536 20 30 EFEDHM N#Cc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC001592700771 1094181525 /nfs/dbraw/zinc/18/15/25/1094181525.db2.gz UWJBIFDGLIWDJP-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1cccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC001592700771 1094181527 /nfs/dbraw/zinc/18/15/27/1094181527.db2.gz UWJBIFDGLIWDJP-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccc2c(n1)CCCC2 ZINC001592699775 1094181559 /nfs/dbraw/zinc/18/15/59/1094181559.db2.gz LZXVNDNENCBAJR-UHFFFAOYSA-N -1 3 331.383 2.624 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc2c(n1)CCCC2 ZINC001592699775 1094181560 /nfs/dbraw/zinc/18/15/60/1094181560.db2.gz LZXVNDNENCBAJR-UHFFFAOYSA-N -1 3 331.383 2.624 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1cc(F)cc(F)c1 ZINC001592699544 1094181617 /nfs/dbraw/zinc/18/16/17/1094181617.db2.gz DPJBDGDJKZLWMB-UHFFFAOYSA-N -1 3 326.310 2.671 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1cc(F)cc(F)c1 ZINC001592699544 1094181620 /nfs/dbraw/zinc/18/16/20/1094181620.db2.gz DPJBDGDJKZLWMB-UHFFFAOYSA-N -1 3 326.310 2.671 20 30 EFEDHM N#Cc1cccc(OCCCSc2ccncc2-c2nnn[n-]2)c1 ZINC001592700516 1094181817 /nfs/dbraw/zinc/18/18/17/1094181817.db2.gz XZIPSRXQNZUQSF-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1cccc(OCCCSc2ccncc2-c2nn[n-]n2)c1 ZINC001592700516 1094181820 /nfs/dbraw/zinc/18/18/20/1094181820.db2.gz XZIPSRXQNZUQSF-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccc2c(c1)OCCCO2 ZINC001592699680 1094181838 /nfs/dbraw/zinc/18/18/38/1094181838.db2.gz HYIRUHGDSBHEIA-UHFFFAOYSA-N -1 3 348.366 2.512 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc2c(c1)OCCCO2 ZINC001592699680 1094181840 /nfs/dbraw/zinc/18/18/40/1094181840.db2.gz HYIRUHGDSBHEIA-UHFFFAOYSA-N -1 3 348.366 2.512 20 30 EFEDHM N#Cc1cccc(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)c1 ZINC001592700381 1094181924 /nfs/dbraw/zinc/18/19/24/1094181924.db2.gz HLGMCCCCTJTJEX-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cccc(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)c1 ZINC001592700381 1094181928 /nfs/dbraw/zinc/18/19/28/1094181928.db2.gz HLGMCCCCTJTJEX-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cnccc1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001592704000 1094183270 /nfs/dbraw/zinc/18/32/70/1094183270.db2.gz NFPDROPDTNEOFZ-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1cnccc1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001592704000 1094183271 /nfs/dbraw/zinc/18/32/71/1094183271.db2.gz NFPDROPDTNEOFZ-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1nc(F)ccc1Oc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001592706224 1094183350 /nfs/dbraw/zinc/18/33/50/1094183350.db2.gz OUVZFDLKKBSHMP-UHFFFAOYSA-N -1 3 339.315 2.674 20 30 EFEDHM N#Cc1nc(F)ccc1Oc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001592706224 1094183354 /nfs/dbraw/zinc/18/33/54/1094183354.db2.gz OUVZFDLKKBSHMP-UHFFFAOYSA-N -1 3 339.315 2.674 20 30 EFEDHM N#Cc1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592701998 1094183362 /nfs/dbraw/zinc/18/33/62/1094183362.db2.gz SGRURSJCMAFTEI-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccccc1COC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592701998 1094183365 /nfs/dbraw/zinc/18/33/65/1094183365.db2.gz SGRURSJCMAFTEI-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccccc1C=Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001592703363 1094183489 /nfs/dbraw/zinc/18/34/89/1094183489.db2.gz QULYBDWLKMOSNO-HJWRWDBZSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccccc1C=Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001592703363 1094183493 /nfs/dbraw/zinc/18/34/93/1094183493.db2.gz QULYBDWLKMOSNO-HJWRWDBZSA-N -1 3 341.334 2.959 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cnn(CC2CCC2)c1 ZINC001592792044 1094188075 /nfs/dbraw/zinc/18/80/75/1094188075.db2.gz SZUXCXYZUDBBHB-GQCTYLIASA-N -1 3 340.412 2.821 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC001592794095 1094188258 /nfs/dbraw/zinc/18/82/58/1094188258.db2.gz JTNUIXCQNGZLNT-GQCTYLIASA-N -1 3 338.298 2.631 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC001592794095 1094188262 /nfs/dbraw/zinc/18/82/62/1094188262.db2.gz JTNUIXCQNGZLNT-GQCTYLIASA-N -1 3 338.298 2.631 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccnn1CC1CCC1 ZINC001592791808 1094188326 /nfs/dbraw/zinc/18/83/26/1094188326.db2.gz OGVGXRUSKSJPQJ-RMKNXTFCSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccnn1CC1CCC1 ZINC001592791808 1094188333 /nfs/dbraw/zinc/18/83/33/1094188333.db2.gz OGVGXRUSKSJPQJ-RMKNXTFCSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C1c2cc(O)ccc2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593379809 1094303346 /nfs/dbraw/zinc/30/33/46/1094303346.db2.gz KCJJUETXVBFWSH-GHXNOFRVSA-N -1 3 336.326 2.924 20 30 EFEDHM O=C1c2cc(O)ccc2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001593379809 1094303351 /nfs/dbraw/zinc/30/33/51/1094303351.db2.gz KCJJUETXVBFWSH-GHXNOFRVSA-N -1 3 336.326 2.924 20 30 EFEDHM O=C1C(=Cc2c(F)cccc2F)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593376599 1094303605 /nfs/dbraw/zinc/30/36/05/1094303605.db2.gz XMMKYFYORDNLAQ-YFHOEESVSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2c(F)cccc2F)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593376599 1094303612 /nfs/dbraw/zinc/30/36/12/1094303612.db2.gz XMMKYFYORDNLAQ-YFHOEESVSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1c2cc(F)ccc2OC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001593379547 1094304144 /nfs/dbraw/zinc/30/41/44/1094304144.db2.gz HBLBIHCJLHSSGQ-MLPAPPSSSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1C(=Cc2cccc(F)c2-c2nnn[n-]2)Oc2cc(F)cc(F)c21 ZINC001593379814 1094304161 /nfs/dbraw/zinc/30/41/61/1094304161.db2.gz KDDGRFOSDCAOGX-UUILKARUSA-N -1 3 344.252 2.900 20 30 EFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC001593380085 1094304464 /nfs/dbraw/zinc/30/44/64/1094304464.db2.gz MOBYQTJAVCEYJR-VZUCSPMQSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC001593380085 1094304472 /nfs/dbraw/zinc/30/44/72/1094304472.db2.gz MOBYQTJAVCEYJR-VZUCSPMQSA-N -1 3 340.289 2.804 20 30 EFEDHM O=[N+]([O-])c1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001593473145 1094315577 /nfs/dbraw/zinc/31/55/77/1094315577.db2.gz MZDMACUPZCSXQK-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM c1ccc(CCNN=C2CCCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC001593575257 1094387870 /nfs/dbraw/zinc/38/78/70/1094387870.db2.gz MFLMGAKMEVJDQB-UHFFFAOYSA-N -1 3 347.426 2.525 20 30 EFEDHM c1ccc(CCNN=C2CCCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC001593575257 1094387880 /nfs/dbraw/zinc/38/78/80/1094387880.db2.gz MFLMGAKMEVJDQB-UHFFFAOYSA-N -1 3 347.426 2.525 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CN1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC001600074518 1094753599 /nfs/dbraw/zinc/75/35/99/1094753599.db2.gz HWFZCOVNNKDBRW-IBGZPJMESA-N -1 3 336.391 2.892 20 30 EFEDHM Cc1cc([C@@H](NCc2ccc(OCC#N)cc2)C(=O)[O-])ccc1F ZINC001600148626 1094810987 /nfs/dbraw/zinc/81/09/87/1094810987.db2.gz JHLUMKCLPKNPBU-QGZVFWFLSA-N -1 3 328.343 2.952 20 30 EFEDHM Cc1cc(CNC2(c3cccc(C#N)c3)CCOCC2)[nH]c1C(=O)[O-] ZINC001600204337 1094876734 /nfs/dbraw/zinc/87/67/34/1094876734.db2.gz FVNHUYSZASOMMD-UHFFFAOYSA-N -1 3 339.395 2.689 20 30 EFEDHM Cn1c(C(=O)[O-])ccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001600903600 1095417449 /nfs/dbraw/zinc/41/74/49/1095417449.db2.gz WBRATRDFEUMCMZ-SECBINFHSA-N -1 3 325.349 2.823 20 30 EFEDHM N#CC(C(=O)c1cncc(C(=O)[O-])c1)c1cc(C(F)(F)F)ccn1 ZINC001601047094 1095478231 /nfs/dbraw/zinc/47/82/31/1095478231.db2.gz ILDBMLQIZHJKCA-NSHDSACASA-N -1 3 335.241 2.684 20 30 EFEDHM N#CC1(C(=O)[O-])CCN(C[C@@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC001601053301 1095483014 /nfs/dbraw/zinc/48/30/14/1095483014.db2.gz UEVDRCQXUDMRAI-DLBZAZTESA-N -1 3 328.412 2.987 20 30 EFEDHM N#CCCCC[C@H](N)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001601064953 1095487849 /nfs/dbraw/zinc/48/78/49/1095487849.db2.gz QATVHNXKSJXLTH-HNNXBMFYSA-N -1 3 325.368 2.888 20 30 EFEDHM N#Cc1ccccc1OCCN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001601126489 1095531347 /nfs/dbraw/zinc/53/13/47/1095531347.db2.gz AEIDEOUACSHYOX-ZDUSSCGKSA-N -1 3 343.408 2.581 20 30 EFEDHM C=C(C)[C@@H](C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000755991180 1095908755 /nfs/dbraw/zinc/90/87/55/1095908755.db2.gz NFCSIANSJTUQGL-CYBMUJFWSA-N -1 3 341.429 2.723 20 30 EFEDHM C#C[C@@H](C)N(C)C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001602690284 1096350980 /nfs/dbraw/zinc/35/09/80/1096350980.db2.gz SZTAVEBOBDKAKW-SECBINFHSA-N -1 3 332.433 2.711 20 30 EFEDHM C#C[C@@H](C)N(C)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001602690284 1096350988 /nfs/dbraw/zinc/35/09/88/1096350988.db2.gz SZTAVEBOBDKAKW-SECBINFHSA-N -1 3 332.433 2.711 20 30 EFEDHM C#C[C@H](NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001602688467 1096351065 /nfs/dbraw/zinc/35/10/65/1096351065.db2.gz KBFYMNIEKNVTGU-KDOFPFPSSA-N -1 3 345.406 2.536 20 30 EFEDHM C#C[C@H](NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001602688467 1096351068 /nfs/dbraw/zinc/35/10/68/1096351068.db2.gz KBFYMNIEKNVTGU-KDOFPFPSSA-N -1 3 345.406 2.536 20 30 EFEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001602689538 1096351103 /nfs/dbraw/zinc/35/11/03/1096351103.db2.gz HYTURAHDDQSESE-LLVKDONJSA-N -1 3 342.403 2.529 20 30 EFEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001602689538 1096351111 /nfs/dbraw/zinc/35/11/11/1096351111.db2.gz HYTURAHDDQSESE-LLVKDONJSA-N -1 3 342.403 2.529 20 30 EFEDHM C#C[C@@H](NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1 ZINC001602691292 1096351138 /nfs/dbraw/zinc/35/11/38/1096351138.db2.gz VJKFYLSVHHKSAH-MRXNPFEDSA-N -1 3 325.322 2.609 20 30 EFEDHM C#C[C@@H](NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(F)cc1 ZINC001602691292 1096351143 /nfs/dbraw/zinc/35/11/43/1096351143.db2.gz VJKFYLSVHHKSAH-MRXNPFEDSA-N -1 3 325.322 2.609 20 30 EFEDHM C#CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC001602699264 1096353071 /nfs/dbraw/zinc/35/30/71/1096353071.db2.gz FSHGYCKQJODGBU-UHFFFAOYSA-N -1 3 341.390 2.596 20 30 EFEDHM C#CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)CCCCC1 ZINC001602699264 1096353074 /nfs/dbraw/zinc/35/30/74/1096353074.db2.gz FSHGYCKQJODGBU-UHFFFAOYSA-N -1 3 341.390 2.596 20 30 EFEDHM C#CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC001602697851 1096353189 /nfs/dbraw/zinc/35/31/89/1096353189.db2.gz UEVGDWXTIGCOJT-KRWDZBQOSA-N -1 3 331.379 2.670 20 30 EFEDHM C#CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC001602697851 1096353194 /nfs/dbraw/zinc/35/31/94/1096353194.db2.gz UEVGDWXTIGCOJT-KRWDZBQOSA-N -1 3 331.379 2.670 20 30 EFEDHM C#C[C@@H]1CCCCN1Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001602697253 1096353518 /nfs/dbraw/zinc/35/35/18/1096353518.db2.gz UBDSWBLIBAFGRB-CYBMUJFWSA-N -1 3 335.333 2.873 20 30 EFEDHM C#CC[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC001602699624 1096354206 /nfs/dbraw/zinc/35/42/06/1096354206.db2.gz JPIYEPYTDBPTPA-AWEZNQCLSA-N -1 3 332.411 2.963 20 30 EFEDHM C#CC[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC001602699624 1096354214 /nfs/dbraw/zinc/35/42/14/1096354214.db2.gz JPIYEPYTDBPTPA-AWEZNQCLSA-N -1 3 332.411 2.963 20 30 EFEDHM C#CCCCCCC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602709360 1096354982 /nfs/dbraw/zinc/35/49/82/1096354982.db2.gz BWFBSGIJAHBHDQ-UHFFFAOYSA-N -1 3 331.807 2.720 20 30 EFEDHM C#CCCCCCC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602709360 1096354986 /nfs/dbraw/zinc/35/49/86/1096354986.db2.gz BWFBSGIJAHBHDQ-UHFFFAOYSA-N -1 3 331.807 2.720 20 30 EFEDHM C#CCOc1ccccc1NC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001602732563 1096358089 /nfs/dbraw/zinc/35/80/89/1096358089.db2.gz ALFBXVAPJCOFMU-UHFFFAOYSA-N -1 3 348.366 2.831 20 30 EFEDHM C#CCOc1ccccc1NC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001602732563 1096358096 /nfs/dbraw/zinc/35/80/96/1096358096.db2.gz ALFBXVAPJCOFMU-UHFFFAOYSA-N -1 3 348.366 2.831 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001602742405 1096359821 /nfs/dbraw/zinc/35/98/21/1096359821.db2.gz DIRKZHOJOMPFLI-UHFFFAOYSA-N -1 3 337.770 2.683 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001602742405 1096359826 /nfs/dbraw/zinc/35/98/26/1096359826.db2.gz DIRKZHOJOMPFLI-UHFFFAOYSA-N -1 3 337.770 2.683 20 30 EFEDHM c1cnc(C2CCC2)c(N=NCCCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001602746276 1096361010 /nfs/dbraw/zinc/36/10/10/1096361010.db2.gz LGPUUOLJJMNOBR-UHFFFAOYSA-N -1 3 348.414 2.955 20 30 EFEDHM c1cnc(C2CCC2)c(N=NCCCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001602746276 1096361015 /nfs/dbraw/zinc/36/10/15/1096361015.db2.gz LGPUUOLJJMNOBR-UHFFFAOYSA-N -1 3 348.414 2.955 20 30 EFEDHM C=C(Br)COc1c(Cl)cc(F)cc1-c1nn[n-]n1 ZINC001602750581 1096363239 /nfs/dbraw/zinc/36/32/39/1096363239.db2.gz XPDDIIHOOIVRTK-UHFFFAOYSA-N -1 3 333.548 2.947 20 30 EFEDHM C=C(Br)COc1c(Cl)cc(F)cc1-c1nnn[n-]1 ZINC001602750581 1096363234 /nfs/dbraw/zinc/36/32/34/1096363234.db2.gz XPDDIIHOOIVRTK-UHFFFAOYSA-N -1 3 333.548 2.947 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001602753657 1096363664 /nfs/dbraw/zinc/36/36/64/1096363664.db2.gz RGBHKENSFGDHEA-ZDUSSCGKSA-N -1 3 325.416 2.964 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001602753657 1096363674 /nfs/dbraw/zinc/36/36/74/1096363674.db2.gz RGBHKENSFGDHEA-ZDUSSCGKSA-N -1 3 325.416 2.964 20 30 EFEDHM C=C(C)C(C)(C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC001602752498 1096363839 /nfs/dbraw/zinc/36/38/39/1096363839.db2.gz CSEOFRRUZAZBNX-UHFFFAOYSA-N -1 3 339.403 2.777 20 30 EFEDHM C=C(C)C(C)(C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC001602752498 1096363848 /nfs/dbraw/zinc/36/38/48/1096363848.db2.gz CSEOFRRUZAZBNX-UHFFFAOYSA-N -1 3 339.403 2.777 20 30 EFEDHM C=C(C)CN(CC)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602758200 1096364515 /nfs/dbraw/zinc/36/45/15/1096364515.db2.gz DNGQMNHBLRFFDN-UHFFFAOYSA-N -1 3 334.811 2.628 20 30 EFEDHM C=C(C)CN(CC)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602758200 1096364517 /nfs/dbraw/zinc/36/45/17/1096364517.db2.gz DNGQMNHBLRFFDN-UHFFFAOYSA-N -1 3 334.811 2.628 20 30 EFEDHM C=C(C)c1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001602770010 1096367170 /nfs/dbraw/zinc/36/71/70/1096367170.db2.gz QRRHWMJBIDFSRZ-UHFFFAOYSA-N -1 3 335.371 2.617 20 30 EFEDHM C=C(C)c1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001602770010 1096367176 /nfs/dbraw/zinc/36/71/76/1096367176.db2.gz QRRHWMJBIDFSRZ-UHFFFAOYSA-N -1 3 335.371 2.617 20 30 EFEDHM C=C(CNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl)c1ccccc1 ZINC001602767414 1096367889 /nfs/dbraw/zinc/36/78/89/1096367889.db2.gz FPGXMWCLRLTCHJ-UHFFFAOYSA-N -1 3 339.786 2.963 20 30 EFEDHM C=C(CNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl)c1ccccc1 ZINC001602767414 1096367898 /nfs/dbraw/zinc/36/78/98/1096367898.db2.gz FPGXMWCLRLTCHJ-UHFFFAOYSA-N -1 3 339.786 2.963 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001602770022 1096368075 /nfs/dbraw/zinc/36/80/75/1096368075.db2.gz RBDIFLIMGSJUJP-CZUORRHYSA-N -1 3 342.399 2.679 20 30 EFEDHM C=C(CC(C)C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001602770240 1096368229 /nfs/dbraw/zinc/36/82/29/1096368229.db2.gz VLBOKVIKRYSOAP-UHFFFAOYSA-N -1 3 326.404 2.982 20 30 EFEDHM C=C1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001602777093 1096369850 /nfs/dbraw/zinc/36/98/50/1096369850.db2.gz QQJMMGDNPPUYLF-UHFFFAOYSA-N -1 3 338.198 2.966 20 30 EFEDHM C=C1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001602777093 1096369859 /nfs/dbraw/zinc/36/98/59/1096369859.db2.gz QQJMMGDNPPUYLF-UHFFFAOYSA-N -1 3 338.198 2.966 20 30 EFEDHM C=CC(C)(C)CNC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001602786788 1096370169 /nfs/dbraw/zinc/37/01/69/1096370169.db2.gz ITFWFRDPMZVBCH-UHFFFAOYSA-N -1 3 331.395 2.612 20 30 EFEDHM C=CC(C)(C)CNC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001602786788 1096370176 /nfs/dbraw/zinc/37/01/76/1096370176.db2.gz ITFWFRDPMZVBCH-UHFFFAOYSA-N -1 3 331.395 2.612 20 30 EFEDHM C=CC(C)(C)CNC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001602786873 1096370488 /nfs/dbraw/zinc/37/04/88/1096370488.db2.gz NXGIEYGQTVZAQM-OAHLLOKOSA-N -1 3 340.431 2.756 20 30 EFEDHM C=CC(C)(C)CNC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001602786873 1096370495 /nfs/dbraw/zinc/37/04/95/1096370495.db2.gz NXGIEYGQTVZAQM-OAHLLOKOSA-N -1 3 340.431 2.756 20 30 EFEDHM C=C[C@H](CC)CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001602800620 1096371839 /nfs/dbraw/zinc/37/18/39/1096371839.db2.gz MNMAMMLUZQIULD-CYBMUJFWSA-N -1 3 345.472 2.818 20 30 EFEDHM C=C[C@H](CC)CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001602800620 1096371844 /nfs/dbraw/zinc/37/18/44/1096371844.db2.gz MNMAMMLUZQIULD-CYBMUJFWSA-N -1 3 345.472 2.818 20 30 EFEDHM C=C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001602799430 1096372526 /nfs/dbraw/zinc/37/25/26/1096372526.db2.gz BCFFWALYOIUDIG-ZDUSSCGKSA-N -1 3 335.367 2.665 20 30 EFEDHM C=C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001602799430 1096372530 /nfs/dbraw/zinc/37/25/30/1096372530.db2.gz BCFFWALYOIUDIG-ZDUSSCGKSA-N -1 3 335.367 2.665 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602803780 1096373792 /nfs/dbraw/zinc/37/37/92/1096373792.db2.gz OWYMSWQSXKKZBB-GDBMZVCRSA-N -1 3 338.415 2.604 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602803780 1096373798 /nfs/dbraw/zinc/37/37/98/1096373798.db2.gz OWYMSWQSXKKZBB-GDBMZVCRSA-N -1 3 338.415 2.604 20 30 EFEDHM C=C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001602803315 1096374110 /nfs/dbraw/zinc/37/41/10/1096374110.db2.gz LAVPCOSQOSAAFU-SMDDNHRTSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001602803315 1096374117 /nfs/dbraw/zinc/37/41/17/1096374117.db2.gz LAVPCOSQOSAAFU-SMDDNHRTSA-N -1 3 330.388 2.778 20 30 EFEDHM C=CCC1(NC(=O)c2ncc(-c3nnn[n-]3)cc2C)CCCCC1 ZINC001602818136 1096375820 /nfs/dbraw/zinc/37/58/20/1096375820.db2.gz CZSLEEMEVYDVNK-UHFFFAOYSA-N -1 3 326.404 2.579 20 30 EFEDHM C=CCC1(NC(=O)c2ncc(-c3nn[n-]n3)cc2C)CCCCC1 ZINC001602818136 1096375829 /nfs/dbraw/zinc/37/58/29/1096375829.db2.gz CZSLEEMEVYDVNK-UHFFFAOYSA-N -1 3 326.404 2.579 20 30 EFEDHM C=CCC(F)(F)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001602816958 1096376109 /nfs/dbraw/zinc/37/61/09/1096376109.db2.gz XNDONBCKTPUXPM-UHFFFAOYSA-N -1 3 333.342 2.569 20 30 EFEDHM C=CCC(F)(F)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001602816958 1096376116 /nfs/dbraw/zinc/37/61/16/1096376116.db2.gz XNDONBCKTPUXPM-UHFFFAOYSA-N -1 3 333.342 2.569 20 30 EFEDHM C=CCC1(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602818428 1096376575 /nfs/dbraw/zinc/37/65/75/1096376575.db2.gz RGPDLDUJKGWNBC-ZDUSSCGKSA-N -1 3 341.415 2.639 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)C1 ZINC001602823037 1096377151 /nfs/dbraw/zinc/37/71/51/1096377151.db2.gz HTDCICPRXPQFOW-SECBINFHSA-N -1 3 334.330 2.575 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)C1 ZINC001602823037 1096377160 /nfs/dbraw/zinc/37/71/60/1096377160.db2.gz HTDCICPRXPQFOW-SECBINFHSA-N -1 3 334.330 2.575 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602823003 1096377541 /nfs/dbraw/zinc/37/75/41/1096377541.db2.gz HIBNOGLDBDCEIX-WCQYABFASA-N -1 3 327.392 2.518 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602823003 1096377550 /nfs/dbraw/zinc/37/75/50/1096377550.db2.gz HIBNOGLDBDCEIX-WCQYABFASA-N -1 3 327.392 2.518 20 30 EFEDHM C=CCC[C@@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001602826608 1096377912 /nfs/dbraw/zinc/37/79/12/1096377912.db2.gz JGKVFHUFKURNPS-MRXNPFEDSA-N -1 3 348.410 2.975 20 30 EFEDHM C=CCC[C@@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001602826608 1096377922 /nfs/dbraw/zinc/37/79/22/1096377922.db2.gz JGKVFHUFKURNPS-MRXNPFEDSA-N -1 3 348.410 2.975 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001602824447 1096378357 /nfs/dbraw/zinc/37/83/57/1096378357.db2.gz QHWHTLWHAKMSOC-LBPRGKRZSA-N -1 3 342.403 2.695 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001602824447 1096378366 /nfs/dbraw/zinc/37/83/66/1096378366.db2.gz QHWHTLWHAKMSOC-LBPRGKRZSA-N -1 3 342.403 2.695 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602834332 1096378673 /nfs/dbraw/zinc/37/86/73/1096378673.db2.gz PRWUWEXUQXMZME-BLLLJJGKSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602834332 1096378682 /nfs/dbraw/zinc/37/86/82/1096378682.db2.gz PRWUWEXUQXMZME-BLLLJJGKSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCCCC(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001602831935 1096379543 /nfs/dbraw/zinc/37/95/43/1096379543.db2.gz IINKUFDBDOHMNF-LBPRGKRZSA-N -1 3 346.410 2.526 20 30 EFEDHM C=CCCCC(=O)NC[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001602831935 1096379550 /nfs/dbraw/zinc/37/95/50/1096379550.db2.gz IINKUFDBDOHMNF-LBPRGKRZSA-N -1 3 346.410 2.526 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602833534 1096379737 /nfs/dbraw/zinc/37/97/37/1096379737.db2.gz PKZHVVAYKLHNRO-ZHACJKMWSA-N -1 3 325.416 2.989 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602833534 1096379742 /nfs/dbraw/zinc/37/97/42/1096379742.db2.gz PKZHVVAYKLHNRO-ZHACJKMWSA-N -1 3 325.416 2.989 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001602833743 1096380044 /nfs/dbraw/zinc/38/00/44/1096380044.db2.gz UWRJJOWEXFTRKP-AWEZNQCLSA-N -1 3 330.367 2.968 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001602833743 1096380052 /nfs/dbraw/zinc/38/00/52/1096380052.db2.gz UWRJJOWEXFTRKP-AWEZNQCLSA-N -1 3 330.367 2.968 20 30 EFEDHM C=CCCN(C)c1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001602841246 1096380562 /nfs/dbraw/zinc/38/05/62/1096380562.db2.gz RMUYDDPVFDJPGS-UHFFFAOYSA-N -1 3 337.431 2.805 20 30 EFEDHM C=CCCN(C)c1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001602841246 1096380571 /nfs/dbraw/zinc/38/05/71/1096380571.db2.gz RMUYDDPVFDJPGS-UHFFFAOYSA-N -1 3 337.431 2.805 20 30 EFEDHM C=CCCCCCN(C)c1nc2c(cc1-c1nnn[n-]1)COCC2 ZINC001602837717 1096381084 /nfs/dbraw/zinc/38/10/84/1096381084.db2.gz GDTQGFFKANCOGN-UHFFFAOYSA-N -1 3 328.420 2.517 20 30 EFEDHM C=CCCCCCN(C)c1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001602837717 1096381092 /nfs/dbraw/zinc/38/10/92/1096381092.db2.gz GDTQGFFKANCOGN-UHFFFAOYSA-N -1 3 328.420 2.517 20 30 EFEDHM C=CCCCCCNC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001602838438 1096381305 /nfs/dbraw/zinc/38/13/05/1096381305.db2.gz XHBGVSRDZFDKPO-UHFFFAOYSA-N -1 3 334.449 2.816 20 30 EFEDHM C=CCCCCCNC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001602838438 1096381311 /nfs/dbraw/zinc/38/13/11/1096381311.db2.gz XHBGVSRDZFDKPO-UHFFFAOYSA-N -1 3 334.449 2.816 20 30 EFEDHM C=CCCN(C)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001602841063 1096381791 /nfs/dbraw/zinc/38/17/91/1096381791.db2.gz MBNJPHSQIHAOPV-UHFFFAOYSA-N -1 3 333.399 2.988 20 30 EFEDHM C=CCCN(C)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001602841063 1096381799 /nfs/dbraw/zinc/38/17/99/1096381799.db2.gz MBNJPHSQIHAOPV-UHFFFAOYSA-N -1 3 333.399 2.988 20 30 EFEDHM C=CCCc1ccccc1NC(=O)c1cc([O-])cc(-c2nn[nH]n2)c1 ZINC001602846380 1096382539 /nfs/dbraw/zinc/38/25/39/1096382539.db2.gz KGHLAQPORPRWFD-UHFFFAOYSA-N -1 3 335.367 2.943 20 30 EFEDHM C=CCCOCCNc1c(Br)cccc1-c1nnn[n-]1 ZINC001602846189 1096382933 /nfs/dbraw/zinc/38/29/33/1096382933.db2.gz FZFNGQSWSYGRHD-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=CCCOCCNc1c(Br)cccc1-c1nn[n-]n1 ZINC001602846189 1096382941 /nfs/dbraw/zinc/38/29/41/1096382941.db2.gz FZFNGQSWSYGRHD-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=CCCn1cc(CSCc2ccc(-c3nnn[n-]3)cc2C)nn1 ZINC001602847642 1096383238 /nfs/dbraw/zinc/38/32/38/1096383238.db2.gz YMJPCPQKTWZBKT-UHFFFAOYSA-N -1 3 341.444 2.776 20 30 EFEDHM C=CCCn1cc(CSCc2ccc(-c3nn[n-]n3)cc2C)nn1 ZINC001602847642 1096383246 /nfs/dbraw/zinc/38/32/46/1096383246.db2.gz YMJPCPQKTWZBKT-UHFFFAOYSA-N -1 3 341.444 2.776 20 30 EFEDHM C=CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001602847659 1096384794 /nfs/dbraw/zinc/38/47/94/1096384794.db2.gz ZGNLOBBAQVHOQS-CQSZACIVSA-N -1 3 349.394 2.853 20 30 EFEDHM C=CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001602847659 1096384801 /nfs/dbraw/zinc/38/48/01/1096384801.db2.gz ZGNLOBBAQVHOQS-CQSZACIVSA-N -1 3 349.394 2.853 20 30 EFEDHM C=CCN(CCc1ccco1)C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001602852530 1096385546 /nfs/dbraw/zinc/38/55/46/1096385546.db2.gz VOAGXSRMPCYPDH-UHFFFAOYSA-N -1 3 337.383 2.639 20 30 EFEDHM C=CCN(CCc1ccco1)C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001602852530 1096385554 /nfs/dbraw/zinc/38/55/54/1096385554.db2.gz VOAGXSRMPCYPDH-UHFFFAOYSA-N -1 3 337.383 2.639 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC001602856248 1096385653 /nfs/dbraw/zinc/38/56/53/1096385653.db2.gz ALHAKFNJOPWGPC-CJNGLKHVSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[C@@H](C)C1 ZINC001602856248 1096385664 /nfs/dbraw/zinc/38/56/64/1096385664.db2.gz ALHAKFNJOPWGPC-CJNGLKHVSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)C(=C)C ZINC001602854079 1096386526 /nfs/dbraw/zinc/38/65/26/1096386526.db2.gz SQPORUSYXCSKCU-UHFFFAOYSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)C(=C)C ZINC001602854079 1096386534 /nfs/dbraw/zinc/38/65/34/1096386534.db2.gz SQPORUSYXCSKCU-UHFFFAOYSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccncc1CC ZINC001602858000 1096387983 /nfs/dbraw/zinc/38/79/83/1096387983.db2.gz GVTRNHOKDRMLEZ-UHFFFAOYSA-N -1 3 348.410 2.653 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccncc1CC ZINC001602858000 1096387992 /nfs/dbraw/zinc/38/79/92/1096387992.db2.gz GVTRNHOKDRMLEZ-UHFFFAOYSA-N -1 3 348.410 2.653 20 30 EFEDHM C=CCO[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC001602867153 1096389101 /nfs/dbraw/zinc/38/91/01/1096389101.db2.gz XEHBXEAVLMULDJ-CYBMUJFWSA-N -1 3 336.399 2.505 20 30 EFEDHM C=CCO[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC001602867153 1096389110 /nfs/dbraw/zinc/38/91/10/1096389110.db2.gz XEHBXEAVLMULDJ-CYBMUJFWSA-N -1 3 336.399 2.505 20 30 EFEDHM C=CCOCCCC(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001602870245 1096390550 /nfs/dbraw/zinc/39/05/50/1096390550.db2.gz JDYKXJHVHXNUPU-UHFFFAOYSA-N -1 3 330.388 2.680 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC001602871305 1096390754 /nfs/dbraw/zinc/39/07/54/1096390754.db2.gz SIPVFZPUPFWQBT-UHFFFAOYSA-N -1 3 349.394 2.921 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC001602871305 1096390760 /nfs/dbraw/zinc/39/07/60/1096390760.db2.gz SIPVFZPUPFWQBT-UHFFFAOYSA-N -1 3 349.394 2.921 20 30 EFEDHM CC#CCCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602892698 1096393052 /nfs/dbraw/zinc/39/30/52/1096393052.db2.gz XOKPROSFHPZXKT-AWEZNQCLSA-N -1 3 325.416 2.970 20 30 EFEDHM CC#CCCCC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602892698 1096393059 /nfs/dbraw/zinc/39/30/59/1096393059.db2.gz XOKPROSFHPZXKT-AWEZNQCLSA-N -1 3 325.416 2.970 20 30 EFEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(C#N)c(F)c1 ZINC001602979327 1096414542 /nfs/dbraw/zinc/41/45/42/1096414542.db2.gz SLNJFSDZNLYDNF-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(C#N)c(F)c1 ZINC001602979327 1096414547 /nfs/dbraw/zinc/41/45/47/1096414547.db2.gz SLNJFSDZNLYDNF-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM C[C@H](C#N)CNCc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001602989131 1096416751 /nfs/dbraw/zinc/41/67/51/1096416751.db2.gz OAEKLYYZTFCNDA-CQSZACIVSA-N -1 3 348.410 2.695 20 30 EFEDHM CC(C)(C)CN(CCC#N)Cc1cc(-c2nnn[n-]2)cnc1Cl ZINC001603075042 1096433008 /nfs/dbraw/zinc/43/30/08/1096433008.db2.gz URSRYSMUILKKEY-UHFFFAOYSA-N -1 3 333.827 2.677 20 30 EFEDHM CC(C)(C)CN(CCC#N)Cc1cc(-c2nn[n-]n2)cnc1Cl ZINC001603075042 1096433015 /nfs/dbraw/zinc/43/30/15/1096433015.db2.gz URSRYSMUILKKEY-UHFFFAOYSA-N -1 3 333.827 2.677 20 30 EFEDHM CC(C)(NC(=O)CCCCCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001603161774 1096463937 /nfs/dbraw/zinc/46/39/37/1096463937.db2.gz SVTSXYFJRPPUPC-UHFFFAOYSA-N -1 3 326.404 2.692 20 30 EFEDHM CC(C)(NC(=O)CCCCCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001603161774 1096463940 /nfs/dbraw/zinc/46/39/40/1096463940.db2.gz SVTSXYFJRPPUPC-UHFFFAOYSA-N -1 3 326.404 2.692 20 30 EFEDHM CC(C)COc1ccc(Oc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001603302721 1096499083 /nfs/dbraw/zinc/49/90/83/1096499083.db2.gz QSNWZCOQDHQTHJ-UHFFFAOYSA-N -1 3 336.355 2.960 20 30 EFEDHM CC(C)COc1ccc(Oc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001603302721 1096499086 /nfs/dbraw/zinc/49/90/86/1096499086.db2.gz QSNWZCOQDHQTHJ-UHFFFAOYSA-N -1 3 336.355 2.960 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001603683375 1096590442 /nfs/dbraw/zinc/59/04/42/1096590442.db2.gz IHCICPGEOBRMCK-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001603683375 1096590446 /nfs/dbraw/zinc/59/04/46/1096590446.db2.gz IHCICPGEOBRMCK-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM CC1CC(C#N)(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001603842833 1096641697 /nfs/dbraw/zinc/64/16/97/1096641697.db2.gz SPEUSRQCODAVRN-UHFFFAOYSA-N -1 3 331.763 2.503 20 30 EFEDHM CC1CC(C#N)(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001603842833 1096641700 /nfs/dbraw/zinc/64/17/00/1096641700.db2.gz SPEUSRQCODAVRN-UHFFFAOYSA-N -1 3 331.763 2.503 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNc2nc(-c3nnn[n-]3)ccc2C)c1 ZINC001603977811 1096685622 /nfs/dbraw/zinc/68/56/22/1096685622.db2.gz IWTUOTPRVUBFDM-CQSZACIVSA-N -1 3 349.398 2.863 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc(-c3nnn[n-]3)ccc2C)c1 ZINC001603977809 1096685855 /nfs/dbraw/zinc/68/58/55/1096685855.db2.gz IWTUOTPRVUBFDM-AWEZNQCLSA-N -1 3 349.398 2.863 20 30 EFEDHM CCC(C#N)(CC)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001603978321 1096686019 /nfs/dbraw/zinc/68/60/19/1096686019.db2.gz XACUQUIFTRMBKF-OAHLLOKOSA-N -1 3 338.415 2.690 20 30 EFEDHM CCC(C#N)(CC)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001603978321 1096686024 /nfs/dbraw/zinc/68/60/24/1096686024.db2.gz XACUQUIFTRMBKF-OAHLLOKOSA-N -1 3 338.415 2.690 20 30 EFEDHM CC[C@@H](CC#N)OC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001604014601 1096697672 /nfs/dbraw/zinc/69/76/72/1096697672.db2.gz WXUXYIXOXQIOQT-ZDUSSCGKSA-N -1 3 331.351 2.519 20 30 EFEDHM CC[C@@H](CC#N)OC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001604014601 1096697677 /nfs/dbraw/zinc/69/76/77/1096697677.db2.gz WXUXYIXOXQIOQT-ZDUSSCGKSA-N -1 3 331.351 2.519 20 30 EFEDHM CC[C@H](CC#N)OC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001604013285 1096698749 /nfs/dbraw/zinc/69/87/49/1096698749.db2.gz GWTQOFFFSKBMPB-OAHLLOKOSA-N -1 3 339.399 2.914 20 30 EFEDHM CC[C@H](CC#N)OC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001604013285 1096698752 /nfs/dbraw/zinc/69/87/52/1096698752.db2.gz GWTQOFFFSKBMPB-OAHLLOKOSA-N -1 3 339.399 2.914 20 30 EFEDHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001604015282 1096700268 /nfs/dbraw/zinc/70/02/68/1096700268.db2.gz GSRWZDQDUJPHTC-MRVPVSSYSA-N -1 3 338.293 2.655 20 30 EFEDHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001604015282 1096700273 /nfs/dbraw/zinc/70/02/73/1096700273.db2.gz GSRWZDQDUJPHTC-MRVPVSSYSA-N -1 3 338.293 2.655 20 30 EFEDHM CCC1CC(=O)C(=CNc2ccc(-c3nnn[n-]3)c(Cl)c2)C(=O)C1 ZINC001604097945 1096732444 /nfs/dbraw/zinc/73/24/44/1096732444.db2.gz VDWNQFABLBXBHE-UHFFFAOYSA-N -1 3 345.790 2.774 20 30 EFEDHM CCC1CC(=O)C(=CNc2ccc(-c3nn[n-]n3)c(Cl)c2)C(=O)C1 ZINC001604097945 1096732449 /nfs/dbraw/zinc/73/24/49/1096732449.db2.gz VDWNQFABLBXBHE-UHFFFAOYSA-N -1 3 345.790 2.774 20 30 EFEDHM CCCCCCCN[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001604176496 1096761391 /nfs/dbraw/zinc/76/13/91/1096761391.db2.gz RLJIZNYQPSVZLX-OAHLLOKOSA-N -1 3 331.420 2.641 20 30 EFEDHM CCCCCCCN[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001604176496 1096761393 /nfs/dbraw/zinc/76/13/93/1096761393.db2.gz RLJIZNYQPSVZLX-OAHLLOKOSA-N -1 3 331.420 2.641 20 30 EFEDHM CCCCCCO[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001604177080 1096763454 /nfs/dbraw/zinc/76/34/54/1096763454.db2.gz GDAFDDFCRPBYLP-LBPRGKRZSA-N -1 3 342.403 2.662 20 30 EFEDHM CCCCCCO[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001604177080 1096763456 /nfs/dbraw/zinc/76/34/56/1096763456.db2.gz GDAFDDFCRPBYLP-LBPRGKRZSA-N -1 3 342.403 2.662 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C#N)cc1C ZINC001604509336 1096885937 /nfs/dbraw/zinc/88/59/37/1096885937.db2.gz BVLGCNMOTUSEHF-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C#N)cc1C ZINC001604509336 1096885943 /nfs/dbraw/zinc/88/59/43/1096885943.db2.gz BVLGCNMOTUSEHF-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1ccc(C#CC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001604517920 1096889278 /nfs/dbraw/zinc/88/92/78/1096889278.db2.gz BUAGQFPHCBWNKD-CQSZACIVSA-N -1 3 345.406 2.658 20 30 EFEDHM CCc1ccc(C#CC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001604517920 1096889282 /nfs/dbraw/zinc/88/92/82/1096889282.db2.gz BUAGQFPHCBWNKD-CQSZACIVSA-N -1 3 345.406 2.658 20 30 EFEDHM CCc1ccc2c(c1)CCN(c1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001604527682 1096894172 /nfs/dbraw/zinc/89/41/72/1096894172.db2.gz BLIKPFSOZALUDL-UHFFFAOYSA-N -1 3 330.395 2.863 20 30 EFEDHM CCc1ccc2c(c1)CCN(c1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001604527682 1096894180 /nfs/dbraw/zinc/89/41/80/1096894180.db2.gz BLIKPFSOZALUDL-UHFFFAOYSA-N -1 3 330.395 2.863 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC001604643104 1096921517 /nfs/dbraw/zinc/92/15/17/1096921517.db2.gz LQEOUWWPSXYUCN-NOZJJQNGSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC001604643104 1096921519 /nfs/dbraw/zinc/92/15/19/1096921519.db2.gz LQEOUWWPSXYUCN-NOZJJQNGSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC001604643107 1096921603 /nfs/dbraw/zinc/92/16/03/1096921603.db2.gz LQEOUWWPSXYUCN-ZANVPECISA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC001604643107 1096921605 /nfs/dbraw/zinc/92/16/05/1096921605.db2.gz LQEOUWWPSXYUCN-ZANVPECISA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C)c1ccc(-c2nn[n-]n2)cc1CNc1cccc(CC#N)c1 ZINC001604697487 1096933148 /nfs/dbraw/zinc/93/31/48/1096933148.db2.gz UBVJMLBGMHEESG-UHFFFAOYSA-N -1 3 333.399 2.611 20 30 EFEDHM CC[C@@](C)(C(=O)[O-])N(Cc1c(C#N)cccc1[N+](=O)[O-])CC1CC1 ZINC001604889453 1096976560 /nfs/dbraw/zinc/97/65/60/1096976560.db2.gz NIHQKXABQCTFOD-KRWDZBQOSA-N -1 3 331.372 2.932 20 30 EFEDHM COCc1cc(-c2nn[n-]n2)ccc1N(C)Cc1cc(C#N)cs1 ZINC001605130704 1097029527 /nfs/dbraw/zinc/02/95/27/1097029527.db2.gz BZLOOANXLVQZKM-UHFFFAOYSA-N -1 3 340.412 2.583 20 30 EFEDHM COCc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1 ZINC001605132088 1097030714 /nfs/dbraw/zinc/03/07/14/1097030714.db2.gz PMGNSXXDGALQDX-LZYBPNLTSA-N -1 3 332.363 2.836 20 30 EFEDHM COCc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1 ZINC001605132088 1097030722 /nfs/dbraw/zinc/03/07/22/1097030722.db2.gz PMGNSXXDGALQDX-LZYBPNLTSA-N -1 3 332.363 2.836 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1nc(Cl)c(C#N)s1 ZINC001605188021 1097047700 /nfs/dbraw/zinc/04/77/00/1097047700.db2.gz ANWBACJGGICKHI-UHFFFAOYSA-N -1 3 334.748 2.649 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1nc(Cl)c(C#N)s1 ZINC001605188021 1097047707 /nfs/dbraw/zinc/04/77/07/1097047707.db2.gz ANWBACJGGICKHI-UHFFFAOYSA-N -1 3 334.748 2.649 20 30 EFEDHM COc1cccc(C2=CCN(c3c(C#N)cccc3-c3nnn[n-]3)C2)c1 ZINC001605319228 1097094989 /nfs/dbraw/zinc/09/49/89/1097094989.db2.gz HJUHFEDDCWEQNP-UHFFFAOYSA-N -1 3 344.378 2.651 20 30 EFEDHM COc1cccc(C2=CCN(c3c(C#N)cccc3-c3nn[n-]n3)C2)c1 ZINC001605319228 1097094996 /nfs/dbraw/zinc/09/49/96/1097094996.db2.gz HJUHFEDDCWEQNP-UHFFFAOYSA-N -1 3 344.378 2.651 20 30 EFEDHM Cc1c(C(=O)OC[C@H]2CC[C@@H](C#N)CC2)cccc1-c1nnn[n-]1 ZINC001605486288 1097135876 /nfs/dbraw/zinc/13/58/76/1097135876.db2.gz RLXKIJPHFFDYAB-BETUJISGSA-N -1 3 325.372 2.662 20 30 EFEDHM Cc1c(C(=O)OC[C@H]2CC[C@@H](C#N)CC2)cccc1-c1nn[n-]n1 ZINC001605486288 1097135878 /nfs/dbraw/zinc/13/58/78/1097135878.db2.gz RLXKIJPHFFDYAB-BETUJISGSA-N -1 3 325.372 2.662 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC001605510766 1097141388 /nfs/dbraw/zinc/14/13/88/1097141388.db2.gz HESPBDSCKHYXFO-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC001605510766 1097141390 /nfs/dbraw/zinc/14/13/90/1097141390.db2.gz HESPBDSCKHYXFO-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC001605513428 1097142411 /nfs/dbraw/zinc/14/24/11/1097142411.db2.gz LUXKWXCBXDRYRT-OCCSQVGLSA-N -1 3 325.372 2.723 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC001605513428 1097142413 /nfs/dbraw/zinc/14/24/13/1097142413.db2.gz LUXKWXCBXDRYRT-OCCSQVGLSA-N -1 3 325.372 2.723 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(CCC#N)cc1 ZINC001605538081 1097153771 /nfs/dbraw/zinc/15/37/71/1097153771.db2.gz XBPFSIGIOLHBCZ-UHFFFAOYSA-N -1 3 332.367 2.884 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(CCC#N)cc1 ZINC001605538081 1097153773 /nfs/dbraw/zinc/15/37/73/1097153773.db2.gz XBPFSIGIOLHBCZ-UHFFFAOYSA-N -1 3 332.367 2.884 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001605589420 1097164854 /nfs/dbraw/zinc/16/48/54/1097164854.db2.gz ZZUAQRLOISVUDY-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001605589420 1097164856 /nfs/dbraw/zinc/16/48/56/1097164856.db2.gz ZZUAQRLOISVUDY-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc3[nH]c(=O)oc3c2)ccc1-c1nnn[n-]1 ZINC001605653087 1097180783 /nfs/dbraw/zinc/18/07/83/1097180783.db2.gz ZCRFQSYGQVPPSR-CLTKARDFSA-N -1 3 347.334 2.918 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc3[nH]c(=O)oc3c2)ccc1-c1nn[n-]n1 ZINC001605653087 1097180786 /nfs/dbraw/zinc/18/07/86/1097180786.db2.gz ZCRFQSYGQVPPSR-CLTKARDFSA-N -1 3 347.334 2.918 20 30 EFEDHM Cc1cc(C=C2CCCc3cc(-c4nnn[n-]4)ccc3C2=O)nn1C ZINC001605652782 1097180816 /nfs/dbraw/zinc/18/08/16/1097180816.db2.gz QTDJTOUTSQBDPV-JLHYYAGUSA-N -1 3 334.383 2.511 20 30 EFEDHM Cc1cc(C=C2CCCc3cc(-c4nn[n-]n4)ccc3C2=O)nn1C ZINC001605652782 1097180821 /nfs/dbraw/zinc/18/08/21/1097180821.db2.gz QTDJTOUTSQBDPV-JLHYYAGUSA-N -1 3 334.383 2.511 20 30 EFEDHM Cc1cc(COC(=O)C=Cc2ccccc2C#N)ccc1-c1nnn[n-]1 ZINC001605662790 1097183688 /nfs/dbraw/zinc/18/36/88/1097183688.db2.gz GLRXTZGJUYVNEU-CLFYSBASSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(COC(=O)C=Cc2ccccc2C#N)ccc1-c1nn[n-]n1 ZINC001605662790 1097183690 /nfs/dbraw/zinc/18/36/90/1097183690.db2.gz GLRXTZGJUYVNEU-CLFYSBASSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(F)ccc1N(CC#N)C(=O)c1sccc1-c1nnn[n-]1 ZINC001605683072 1097194181 /nfs/dbraw/zinc/19/41/81/1097194181.db2.gz NUOQDMUZHXGHJX-UHFFFAOYSA-N -1 3 342.359 2.546 20 30 EFEDHM Cc1cc(F)ccc1N(CC#N)C(=O)c1sccc1-c1nn[n-]n1 ZINC001605683072 1097194185 /nfs/dbraw/zinc/19/41/85/1097194185.db2.gz NUOQDMUZHXGHJX-UHFFFAOYSA-N -1 3 342.359 2.546 20 30 EFEDHM Cc1cc(Nc2cccc(OCCCC#N)c2)ncc1-c1nnn[n-]1 ZINC001605744373 1097213239 /nfs/dbraw/zinc/21/32/39/1097213239.db2.gz KEQOCCBMNSFHFC-UHFFFAOYSA-N -1 3 335.371 2.996 20 30 EFEDHM Cc1cc(Nc2cccc(OCCCC#N)c2)ncc1-c1nn[n-]n1 ZINC001605744373 1097213245 /nfs/dbraw/zinc/21/32/45/1097213245.db2.gz KEQOCCBMNSFHFC-UHFFFAOYSA-N -1 3 335.371 2.996 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001605755679 1097216475 /nfs/dbraw/zinc/21/64/75/1097216475.db2.gz PHZGKXMOWXJHRA-VQHVLOKHSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001605755679 1097216482 /nfs/dbraw/zinc/21/64/82/1097216482.db2.gz PHZGKXMOWXJHRA-VQHVLOKHSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC001605775789 1097221917 /nfs/dbraw/zinc/22/19/17/1097221917.db2.gz OIAGJJKXKCMOMO-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC001605775789 1097221922 /nfs/dbraw/zinc/22/19/22/1097221922.db2.gz OIAGJJKXKCMOMO-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1nc(N(Cc2ccc(C#N)cc2)C2CC2)ccc1-c1nnn[n-]1 ZINC001606048233 1097307284 /nfs/dbraw/zinc/30/72/84/1097307284.db2.gz BWQSSFPPPORYOW-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM Cc1nc(N(Cc2ccc(C#N)cc2)C2CC2)ccc1-c1nn[n-]n1 ZINC001606048233 1097307289 /nfs/dbraw/zinc/30/72/89/1097307289.db2.gz BWQSSFPPPORYOW-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM Cc1nc(N[C@@H]2CCCc3cc(C#N)ccc32)ccc1-c1nnn[n-]1 ZINC001606066130 1097311216 /nfs/dbraw/zinc/31/12/16/1097311216.db2.gz CFARZQOLNOKCSE-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1nc(N[C@@H]2CCCc3cc(C#N)ccc32)ccc1-c1nn[n-]n1 ZINC001606066130 1097311223 /nfs/dbraw/zinc/31/12/23/1097311223.db2.gz CFARZQOLNOKCSE-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Clc1ccc(NN=C2CCc3ccc(-c4nnn[n-]4)cc32)cn1 ZINC001606193831 1097347495 /nfs/dbraw/zinc/34/74/95/1097347495.db2.gz ZIUKEVINXUYBNL-UHFFFAOYSA-N -1 3 325.763 2.678 20 30 EFEDHM Clc1ccc(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)cn1 ZINC001606193831 1097347501 /nfs/dbraw/zinc/34/75/01/1097347501.db2.gz ZIUKEVINXUYBNL-UHFFFAOYSA-N -1 3 325.763 2.678 20 30 EFEDHM N#C[C@H](NC(=O)c1csc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001606340610 1097388456 /nfs/dbraw/zinc/38/84/56/1097388456.db2.gz WMIAVEZVSUDVEL-NSHDSACASA-N -1 3 344.787 2.576 20 30 EFEDHM N#CC[C@H]1CCCN(c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC001606346472 1097390105 /nfs/dbraw/zinc/39/01/05/1097390105.db2.gz RVDXTWGNNCTUHK-SNVBAGLBSA-N -1 3 347.220 2.759 20 30 EFEDHM N#CC[C@H]1CCCN(c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC001606346472 1097390110 /nfs/dbraw/zinc/39/01/10/1097390110.db2.gz RVDXTWGNNCTUHK-SNVBAGLBSA-N -1 3 347.220 2.759 20 30 EFEDHM N#CCc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001606351064 1097391445 /nfs/dbraw/zinc/39/14/45/1097391445.db2.gz CBUVHGJMRFZNIR-JXMROGBWSA-N -1 3 330.351 2.585 20 30 EFEDHM N#CCc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001606351064 1097391454 /nfs/dbraw/zinc/39/14/54/1097391454.db2.gz CBUVHGJMRFZNIR-JXMROGBWSA-N -1 3 330.351 2.585 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC/C=C\c2ccccc2)nc1N ZINC001606357586 1097392069 /nfs/dbraw/zinc/39/20/69/1097392069.db2.gz UTQKTBWPTVBKFT-YWEYNIOJSA-N -1 3 349.423 2.911 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC/C=C\c2ccccc2)nc1N ZINC001606357586 1097392077 /nfs/dbraw/zinc/39/20/77/1097392077.db2.gz UTQKTBWPTVBKFT-YWEYNIOJSA-N -1 3 349.423 2.911 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3ccncc32)ccc1-c1nnn[n-]1 ZINC001606361107 1097392331 /nfs/dbraw/zinc/39/23/31/1097392331.db2.gz GBBICLJGRHCRAN-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3ccncc32)ccc1-c1nn[n-]n1 ZINC001606361107 1097392335 /nfs/dbraw/zinc/39/23/35/1097392335.db2.gz GBBICLJGRHCRAN-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(C(F)(F)F)cc(Oc2ccccc2-c2nnn[n-]2)n1 ZINC001606361883 1097392526 /nfs/dbraw/zinc/39/25/26/1097392526.db2.gz PCVFGSPKRDCPIN-UHFFFAOYSA-N -1 3 332.245 2.944 20 30 EFEDHM N#Cc1cc(C(F)(F)F)cc(Oc2ccccc2-c2nn[n-]n2)n1 ZINC001606361883 1097392528 /nfs/dbraw/zinc/39/25/28/1097392528.db2.gz PCVFGSPKRDCPIN-UHFFFAOYSA-N -1 3 332.245 2.944 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccsc2Cl)ccc1-c1nnn[n-]1 ZINC001606361192 1097392960 /nfs/dbraw/zinc/39/29/60/1097392960.db2.gz IAICMOOSGCJZHY-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccsc2Cl)ccc1-c1nn[n-]n1 ZINC001606361192 1097392965 /nfs/dbraw/zinc/39/29/65/1097392965.db2.gz IAICMOOSGCJZHY-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC/C=C/c2ccccc2)nc1N ZINC001606357585 1097393034 /nfs/dbraw/zinc/39/30/34/1097393034.db2.gz UTQKTBWPTVBKFT-XBXARRHUSA-N -1 3 349.423 2.911 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC/C=C/c2ccccc2)nc1N ZINC001606357585 1097393042 /nfs/dbraw/zinc/39/30/42/1097393042.db2.gz UTQKTBWPTVBKFT-XBXARRHUSA-N -1 3 349.423 2.911 20 30 EFEDHM N#Cc1ccc(-c2nnc(CCc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC001606363289 1097393686 /nfs/dbraw/zinc/39/36/86/1097393686.db2.gz FXEGKRCOKHVGPL-UHFFFAOYSA-N -1 3 343.350 2.574 20 30 EFEDHM N#Cc1ccc(-c2nnc(CCc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC001606363289 1097393690 /nfs/dbraw/zinc/39/36/90/1097393690.db2.gz FXEGKRCOKHVGPL-UHFFFAOYSA-N -1 3 343.350 2.574 20 30 EFEDHM N#Cc1ccc(CCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC001606368331 1097393789 /nfs/dbraw/zinc/39/37/89/1097393789.db2.gz WRGWGRJDEZBJJT-UHFFFAOYSA-N -1 3 343.350 2.574 20 30 EFEDHM N#Cc1ccc(CCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC001606368331 1097393793 /nfs/dbraw/zinc/39/37/93/1097393793.db2.gz WRGWGRJDEZBJJT-UHFFFAOYSA-N -1 3 343.350 2.574 20 30 EFEDHM N#Cc1ccc(C(=O)N(c2ccc(-c3nnn[n-]3)cc2)C2CCC2)cc1 ZINC001606363497 1097394047 /nfs/dbraw/zinc/39/40/47/1097394047.db2.gz HXTQOYXEMOMJBW-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1ccc(C(=O)N(c2ccc(-c3nn[n-]n3)cc2)C2CCC2)cc1 ZINC001606363497 1097394050 /nfs/dbraw/zinc/39/40/50/1097394050.db2.gz HXTQOYXEMOMJBW-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1ccc(N2CCC(Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001606369163 1097394066 /nfs/dbraw/zinc/39/40/66/1097394066.db2.gz PEOJLIAXERWEDC-UHFFFAOYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1ccc(N2CCC(Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001606369163 1097394070 /nfs/dbraw/zinc/39/40/70/1097394070.db2.gz PEOJLIAXERWEDC-UHFFFAOYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1ccc(C2(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC001606368333 1097394125 /nfs/dbraw/zinc/39/41/25/1097394125.db2.gz WVUMJMYGGFEBDV-UHFFFAOYSA-N -1 3 349.325 2.515 20 30 EFEDHM N#Cc1ccc(C2(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC001606368333 1097394131 /nfs/dbraw/zinc/39/41/31/1097394131.db2.gz WVUMJMYGGFEBDV-UHFFFAOYSA-N -1 3 349.325 2.515 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(F)ccc2Cl)cc1-c1nnn[n-]1 ZINC001606373104 1097394222 /nfs/dbraw/zinc/39/42/22/1097394222.db2.gz YFTBGDXHGSAAAJ-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(F)ccc2Cl)cc1-c1nn[n-]n1 ZINC001606373104 1097394224 /nfs/dbraw/zinc/39/42/24/1097394224.db2.gz YFTBGDXHGSAAAJ-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)s1 ZINC001606367822 1097394452 /nfs/dbraw/zinc/39/44/52/1097394452.db2.gz PBFGKYSLVINQOM-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)s1 ZINC001606367822 1097394456 /nfs/dbraw/zinc/39/44/56/1097394456.db2.gz PBFGKYSLVINQOM-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001606377097 1097395162 /nfs/dbraw/zinc/39/51/62/1097395162.db2.gz BMVALCDTVPGYFX-UONOGXRCSA-N -1 3 349.325 2.587 20 30 EFEDHM N#Cc1ccc(OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001606377097 1097395168 /nfs/dbraw/zinc/39/51/68/1097395168.db2.gz BMVALCDTVPGYFX-UONOGXRCSA-N -1 3 349.325 2.587 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccsc2Cl)cc1-c1nnn[n-]1 ZINC001606377880 1097395964 /nfs/dbraw/zinc/39/59/64/1097395964.db2.gz VOYUDDCROZLJBW-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccsc2Cl)cc1-c1nn[n-]n1 ZINC001606377880 1097395968 /nfs/dbraw/zinc/39/59/68/1097395968.db2.gz VOYUDDCROZLJBW-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1cccc(NC(=O)C2CC2)c1 ZINC001606379602 1097396041 /nfs/dbraw/zinc/39/60/41/1097396041.db2.gz GAOLOQRUEQWJQK-UHFFFAOYSA-N -1 3 345.366 2.830 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1cccc(NC(=O)C2CC2)c1 ZINC001606379602 1097396046 /nfs/dbraw/zinc/39/60/46/1097396046.db2.gz GAOLOQRUEQWJQK-UHFFFAOYSA-N -1 3 345.366 2.830 20 30 EFEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001606385052 1097396514 /nfs/dbraw/zinc/39/65/14/1097396514.db2.gz MHQRCFOUFYCCKD-UONOGXRCSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001606385052 1097396520 /nfs/dbraw/zinc/39/65/20/1097396520.db2.gz MHQRCFOUFYCCKD-UONOGXRCSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001606384711 1097396651 /nfs/dbraw/zinc/39/66/51/1097396651.db2.gz CSORLFXLXKPKED-LSDHHAIUSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001606384711 1097396658 /nfs/dbraw/zinc/39/66/58/1097396658.db2.gz CSORLFXLXKPKED-LSDHHAIUSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1cccc(CC(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC001606380163 1097396786 /nfs/dbraw/zinc/39/67/86/1097396786.db2.gz SXEUMXRPJSORLP-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cccc(CC(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC001606380163 1097396794 /nfs/dbraw/zinc/39/67/94/1097396794.db2.gz SXEUMXRPJSORLP-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001606380808 1097396806 /nfs/dbraw/zinc/39/68/06/1097396806.db2.gz FKRLYXGJLQTOEC-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001606380808 1097396811 /nfs/dbraw/zinc/39/68/11/1097396811.db2.gz FKRLYXGJLQTOEC-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1cccc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1[N+](=O)[O-] ZINC001606381804 1097396960 /nfs/dbraw/zinc/39/69/60/1097396960.db2.gz LJLLQNZBDUVGSR-AWEZNQCLSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cccc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1[N+](=O)[O-] ZINC001606381804 1097396963 /nfs/dbraw/zinc/39/69/63/1097396963.db2.gz LJLLQNZBDUVGSR-AWEZNQCLSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC001606379877 1097396986 /nfs/dbraw/zinc/39/69/86/1097396986.db2.gz MTSLYEYAMDYUQD-ZMSDIMECSA-N -1 3 332.342 2.628 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC001606379877 1097396989 /nfs/dbraw/zinc/39/69/89/1097396989.db2.gz MTSLYEYAMDYUQD-ZMSDIMECSA-N -1 3 332.342 2.628 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](c2ccccn2)C1 ZINC001606381279 1097397102 /nfs/dbraw/zinc/39/71/02/1097397102.db2.gz LHMNQRPQDQETQY-CQSZACIVSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](c2ccccn2)C1 ZINC001606381279 1097397106 /nfs/dbraw/zinc/39/71/06/1097397106.db2.gz LHMNQRPQDQETQY-CQSZACIVSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC=C(c2ccc(O)cc2)CC1 ZINC001606381627 1097397169 /nfs/dbraw/zinc/39/71/69/1097397169.db2.gz QEKCHGCIIASKKP-UHFFFAOYSA-N -1 3 344.378 2.738 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC=C(c2ccc(O)cc2)CC1 ZINC001606381627 1097397170 /nfs/dbraw/zinc/39/71/70/1097397170.db2.gz QEKCHGCIIASKKP-UHFFFAOYSA-N -1 3 344.378 2.738 20 30 EFEDHM N#Cc1sccc1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001606398977 1097397931 /nfs/dbraw/zinc/39/79/31/1097397931.db2.gz HCQIZRJFUHWPEH-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1sccc1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001606398977 1097397935 /nfs/dbraw/zinc/39/79/35/1097397935.db2.gz HCQIZRJFUHWPEH-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cnc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(F)c1 ZINC001606390086 1097398467 /nfs/dbraw/zinc/39/84/67/1097398467.db2.gz LUQGDPPEVLJLHJ-HNNXBMFYSA-N -1 3 335.346 2.762 20 30 EFEDHM N#Cc1cnc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(F)c1 ZINC001606390086 1097398472 /nfs/dbraw/zinc/39/84/72/1097398472.db2.gz LUQGDPPEVLJLHJ-HNNXBMFYSA-N -1 3 335.346 2.762 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001606483190 1097405503 /nfs/dbraw/zinc/40/55/03/1097405503.db2.gz YFEYKJOBTCMWOF-FPLPWBNLSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001606483190 1097405508 /nfs/dbraw/zinc/40/55/08/1097405508.db2.gz YFEYKJOBTCMWOF-FPLPWBNLSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001607036211 1097499985 /nfs/dbraw/zinc/49/99/85/1097499985.db2.gz CKGZWTVDGWFMRU-BJMVGYQFSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001607036211 1097499987 /nfs/dbraw/zinc/49/99/87/1097499987.db2.gz CKGZWTVDGWFMRU-BJMVGYQFSA-N -1 3 340.289 2.804 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC001607461296 1097632667 /nfs/dbraw/zinc/63/26/67/1097632667.db2.gz YAIMQBUDYYWRHA-ZBEGNZNMSA-N -1 3 325.324 2.943 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001609021967 1098114215 /nfs/dbraw/zinc/11/42/15/1098114215.db2.gz ONPJJUSYNBEWJK-UHFFFAOYSA-N -1 3 348.410 2.586 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001609021967 1098114220 /nfs/dbraw/zinc/11/42/20/1098114220.db2.gz ONPJJUSYNBEWJK-UHFFFAOYSA-N -1 3 348.410 2.586 20 30 EFEDHM C#Cc1cccc(NC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC001609021987 1098114445 /nfs/dbraw/zinc/11/44/45/1098114445.db2.gz PHPLDRDTZCWFGQ-UHFFFAOYSA-N -1 3 329.363 2.518 20 30 EFEDHM C#Cc1cccc(NC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC001609021987 1098114448 /nfs/dbraw/zinc/11/44/48/1098114448.db2.gz PHPLDRDTZCWFGQ-UHFFFAOYSA-N -1 3 329.363 2.518 20 30 EFEDHM C=C(C)CNN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001609051860 1098121334 /nfs/dbraw/zinc/12/13/34/1098121334.db2.gz YTAWYMWBODZZGO-UHFFFAOYSA-N -1 3 348.410 2.945 20 30 EFEDHM C=C(C)CNN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001609051860 1098121336 /nfs/dbraw/zinc/12/13/36/1098121336.db2.gz YTAWYMWBODZZGO-UHFFFAOYSA-N -1 3 348.410 2.945 20 30 EFEDHM C=C(C)Cn1c(C)nnc1N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609051712 1098121534 /nfs/dbraw/zinc/12/15/34/1098121534.db2.gz PUATYHLHUHBRHK-LBPRGKRZSA-N -1 3 338.419 2.540 20 30 EFEDHM C=C(C)Cn1c(C)nnc1N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609051712 1098121536 /nfs/dbraw/zinc/12/15/36/1098121536.db2.gz PUATYHLHUHBRHK-LBPRGKRZSA-N -1 3 338.419 2.540 20 30 EFEDHM C=C(C)Cn1c(C)nnc1N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609051711 1098121904 /nfs/dbraw/zinc/12/19/04/1098121904.db2.gz PUATYHLHUHBRHK-GFCCVEGCSA-N -1 3 338.419 2.540 20 30 EFEDHM C=C(C)Cn1c(C)nnc1N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609051711 1098121908 /nfs/dbraw/zinc/12/19/08/1098121908.db2.gz PUATYHLHUHBRHK-GFCCVEGCSA-N -1 3 338.419 2.540 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609052352 1098122977 /nfs/dbraw/zinc/12/29/77/1098122977.db2.gz YUIJSGKJMJKBHV-YVEFUNNKSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609052352 1098122980 /nfs/dbraw/zinc/12/29/80/1098122980.db2.gz YUIJSGKJMJKBHV-YVEFUNNKSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052304 1098123026 /nfs/dbraw/zinc/12/30/26/1098123026.db2.gz XBIIPGAARBQUFA-MAUKXSAKSA-N -1 3 325.416 2.963 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052304 1098123029 /nfs/dbraw/zinc/12/30/29/1098123029.db2.gz XBIIPGAARBQUFA-MAUKXSAKSA-N -1 3 325.416 2.963 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)CCCC1 ZINC001609053929 1098123356 /nfs/dbraw/zinc/12/33/56/1098123356.db2.gz VHTWDIOSQCIRLW-UHFFFAOYSA-N -1 3 327.388 2.950 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)CCCC1 ZINC001609053929 1098123361 /nfs/dbraw/zinc/12/33/61/1098123361.db2.gz VHTWDIOSQCIRLW-UHFFFAOYSA-N -1 3 327.388 2.950 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052305 1098123557 /nfs/dbraw/zinc/12/35/57/1098123557.db2.gz XBIIPGAARBQUFA-QAPCUYQASA-N -1 3 325.416 2.963 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052305 1098123562 /nfs/dbraw/zinc/12/35/62/1098123562.db2.gz XBIIPGAARBQUFA-QAPCUYQASA-N -1 3 325.416 2.963 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)N[C@@H](C)CC ZINC001609056921 1098124030 /nfs/dbraw/zinc/12/40/30/1098124030.db2.gz MKMOEJNRYBNAJD-LBPRGKRZSA-N -1 3 330.461 2.528 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)N[C@@H](C)CC ZINC001609056921 1098124031 /nfs/dbraw/zinc/12/40/31/1098124031.db2.gz MKMOEJNRYBNAJD-LBPRGKRZSA-N -1 3 330.461 2.528 20 30 EFEDHM C=CCN(Cc1nnsc1Cl)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609057415 1098124051 /nfs/dbraw/zinc/12/40/51/1098124051.db2.gz QULLEDGQMCERTM-UHFFFAOYSA-N -1 3 347.835 2.560 20 30 EFEDHM C=CCN(Cc1nnsc1Cl)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609057415 1098124053 /nfs/dbraw/zinc/12/40/53/1098124053.db2.gz QULLEDGQMCERTM-UHFFFAOYSA-N -1 3 347.835 2.560 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)N[C@H](C)CC ZINC001609056920 1098124157 /nfs/dbraw/zinc/12/41/57/1098124157.db2.gz MKMOEJNRYBNAJD-GFCCVEGCSA-N -1 3 330.461 2.528 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)N[C@H](C)CC ZINC001609056920 1098124159 /nfs/dbraw/zinc/12/41/59/1098124159.db2.gz MKMOEJNRYBNAJD-GFCCVEGCSA-N -1 3 330.461 2.528 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC001609056947 1098124465 /nfs/dbraw/zinc/12/44/65/1098124465.db2.gz OEIQXYGTKCTPOZ-JKSUJKDBSA-N -1 3 340.431 2.609 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@H]1C(C)C ZINC001609056947 1098124468 /nfs/dbraw/zinc/12/44/68/1098124468.db2.gz OEIQXYGTKCTPOZ-JKSUJKDBSA-N -1 3 340.431 2.609 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1(C)CC1 ZINC001609056541 1098124842 /nfs/dbraw/zinc/12/48/42/1098124842.db2.gz PJGBWRDIPIORKQ-UHFFFAOYSA-N -1 3 340.431 2.755 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1(C)CC1 ZINC001609056541 1098124846 /nfs/dbraw/zinc/12/48/46/1098124846.db2.gz PJGBWRDIPIORKQ-UHFFFAOYSA-N -1 3 340.431 2.755 20 30 EFEDHM CC#CCN(C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609059751 1098126209 /nfs/dbraw/zinc/12/62/09/1098126209.db2.gz IAMYMJIGBKOXSY-UHFFFAOYSA-N -1 3 346.394 2.706 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(CO)c1 ZINC001609061206 1098126585 /nfs/dbraw/zinc/12/65/85/1098126585.db2.gz LWSCVBIGCDAHLN-UHFFFAOYSA-N -1 3 342.790 2.849 20 30 EFEDHM C=CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC001609059359 1098126704 /nfs/dbraw/zinc/12/67/04/1098126704.db2.gz IUOSNZPGUDYENY-UHFFFAOYSA-N -1 3 336.351 2.823 20 30 EFEDHM C=CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC001609059359 1098126706 /nfs/dbraw/zinc/12/67/06/1098126706.db2.gz IUOSNZPGUDYENY-UHFFFAOYSA-N -1 3 336.351 2.823 20 30 EFEDHM CC(=O)c1ccc(C#N)c(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609066589 1098128554 /nfs/dbraw/zinc/12/85/54/1098128554.db2.gz ILWIBNYOBNYYAF-UHFFFAOYSA-N -1 3 332.367 2.577 20 30 EFEDHM CC(=O)c1ccc(C#N)c(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609066589 1098128559 /nfs/dbraw/zinc/12/85/59/1098128559.db2.gz ILWIBNYOBNYYAF-UHFFFAOYSA-N -1 3 332.367 2.577 20 30 EFEDHM C#CC[C@@H](NCc1c(C)nn(Cc2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC001609089756 1098138377 /nfs/dbraw/zinc/13/83/77/1098138377.db2.gz RTYBPEJYUVJDKY-OAHLLOKOSA-N -1 3 349.793 2.598 20 30 EFEDHM CC(C)OCCON=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609101299 1098144855 /nfs/dbraw/zinc/14/48/55/1098144855.db2.gz GALBOKDSSJVNFR-UHFFFAOYSA-N -1 3 329.404 2.739 20 30 EFEDHM CC(C)OCCON=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609101299 1098144859 /nfs/dbraw/zinc/14/48/59/1098144859.db2.gz GALBOKDSSJVNFR-UHFFFAOYSA-N -1 3 329.404 2.739 20 30 EFEDHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001609121121 1098155105 /nfs/dbraw/zinc/15/51/05/1098155105.db2.gz HAPZMHNWPXMGCJ-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001609121121 1098155110 /nfs/dbraw/zinc/15/51/10/1098155110.db2.gz HAPZMHNWPXMGCJ-NSHDSACASA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609121052 1098155247 /nfs/dbraw/zinc/15/52/47/1098155247.db2.gz DKFGMPPCZYKXRA-LLVKDONJSA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609121052 1098155251 /nfs/dbraw/zinc/15/52/51/1098155251.db2.gz DKFGMPPCZYKXRA-LLVKDONJSA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC001609126415 1098158545 /nfs/dbraw/zinc/15/85/45/1098158545.db2.gz RKYGWYSGXQJFMD-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1cccc(F)c1 ZINC001609138720 1098165120 /nfs/dbraw/zinc/16/51/20/1098165120.db2.gz YUWKLNSKTREJDQ-MRVPVSSYSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1cccc(F)c1 ZINC001609138720 1098165121 /nfs/dbraw/zinc/16/51/21/1098165121.db2.gz YUWKLNSKTREJDQ-MRVPVSSYSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@H]1CCCC[C@@H]1OCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609165232 1098180151 /nfs/dbraw/zinc/18/01/51/1098180151.db2.gz HKLFSKUATSXFPN-WFASDCNBSA-N -1 3 326.404 2.746 20 30 EFEDHM C[C@H]1CCCC[C@@H]1OCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609165232 1098180155 /nfs/dbraw/zinc/18/01/55/1098180155.db2.gz HKLFSKUATSXFPN-WFASDCNBSA-N -1 3 326.404 2.746 20 30 EFEDHM CCC(C)(C)N(CCC#N)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609182520 1098186101 /nfs/dbraw/zinc/18/61/01/1098186101.db2.gz JGUYZOCADWINIJ-KHPPLWFESA-N -1 3 338.415 2.811 20 30 EFEDHM CCC(C)(C)N(CCC#N)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609182520 1098186104 /nfs/dbraw/zinc/18/61/04/1098186104.db2.gz JGUYZOCADWINIJ-KHPPLWFESA-N -1 3 338.415 2.811 20 30 EFEDHM CCN(Cc1ccncc1C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609225205 1098212492 /nfs/dbraw/zinc/21/24/92/1098212492.db2.gz CDMXAJVXJLRLIT-ZDUSSCGKSA-N -1 3 333.399 2.716 20 30 EFEDHM CCN(Cc1ccncc1C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609225205 1098212501 /nfs/dbraw/zinc/21/25/01/1098212501.db2.gz CDMXAJVXJLRLIT-ZDUSSCGKSA-N -1 3 333.399 2.716 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(CC#N)c2)s1 ZINC001609250532 1098222854 /nfs/dbraw/zinc/22/28/54/1098222854.db2.gz NFGYINGKHSZGRG-UHFFFAOYSA-N -1 3 338.396 2.809 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(CC#N)c2)s1 ZINC001609250532 1098222860 /nfs/dbraw/zinc/22/28/60/1098222860.db2.gz NFGYINGKHSZGRG-UHFFFAOYSA-N -1 3 338.396 2.809 20 30 EFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cccc(-c3nnn[n-]3)c2C)cc1 ZINC001609252436 1098225251 /nfs/dbraw/zinc/22/52/51/1098225251.db2.gz WYWNIJHQPNKYGX-QGZVFWFLSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2cccc(-c3nn[n-]n3)c2C)cc1 ZINC001609252436 1098225255 /nfs/dbraw/zinc/22/52/55/1098225255.db2.gz WYWNIJHQPNKYGX-QGZVFWFLSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001609252389 1098225349 /nfs/dbraw/zinc/22/53/49/1098225349.db2.gz VCLYEVYCWLJZKW-QGZVFWFLSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001609252389 1098225351 /nfs/dbraw/zinc/22/53/51/1098225351.db2.gz VCLYEVYCWLJZKW-QGZVFWFLSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccccc1OCC#N ZINC001609250853 1098225421 /nfs/dbraw/zinc/22/54/21/1098225421.db2.gz FSXLSYJNXPLNMA-UHFFFAOYSA-N -1 3 349.350 2.551 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccccc1OCC#N ZINC001609250853 1098225423 /nfs/dbraw/zinc/22/54/23/1098225423.db2.gz FSXLSYJNXPLNMA-UHFFFAOYSA-N -1 3 349.350 2.551 20 30 EFEDHM CCc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609252744 1098225618 /nfs/dbraw/zinc/22/56/18/1098225618.db2.gz RILRQFBLWIUTEE-MRXNPFEDSA-N -1 3 346.394 2.750 20 30 EFEDHM CCc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609252744 1098225624 /nfs/dbraw/zinc/22/56/24/1098225624.db2.gz RILRQFBLWIUTEE-MRXNPFEDSA-N -1 3 346.394 2.750 20 30 EFEDHM CCn1nccc1C=C1CCCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC001609259991 1098230088 /nfs/dbraw/zinc/23/00/88/1098230088.db2.gz BWWHGUWPELTJGR-QBFSEMIESA-N -1 3 334.383 2.686 20 30 EFEDHM CCn1nccc1C=C1CCCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC001609259991 1098230090 /nfs/dbraw/zinc/23/00/90/1098230090.db2.gz BWWHGUWPELTJGR-QBFSEMIESA-N -1 3 334.383 2.686 20 30 EFEDHM CN(C)c1ccc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001609270493 1098232408 /nfs/dbraw/zinc/23/24/08/1098232408.db2.gz BGJAYDJEQHAQEW-DHZHZOJOSA-N -1 3 337.358 2.968 20 30 EFEDHM CN(C)c1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001609270493 1098232412 /nfs/dbraw/zinc/23/24/12/1098232412.db2.gz BGJAYDJEQHAQEW-DHZHZOJOSA-N -1 3 337.358 2.968 20 30 EFEDHM COCCC(C)N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001609321377 1098247782 /nfs/dbraw/zinc/24/77/82/1098247782.db2.gz YMCAAFVRALLCJP-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM COCCC(C)N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001609321377 1098247788 /nfs/dbraw/zinc/24/77/88/1098247788.db2.gz YMCAAFVRALLCJP-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM COc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001609339901 1098253426 /nfs/dbraw/zinc/25/34/26/1098253426.db2.gz SRNLKHLTNIGUPX-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001609339901 1098253429 /nfs/dbraw/zinc/25/34/29/1098253429.db2.gz SRNLKHLTNIGUPX-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C=C2Cc3cc(F)ccc3C2=O)ccc1-c1nnn[n-]1 ZINC001609340812 1098255076 /nfs/dbraw/zinc/25/50/76/1098255076.db2.gz YQDLNSNLZPSJGV-WUXMJOGZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(C=C2Cc3cc(F)ccc3C2=O)ccc1-c1nn[n-]n1 ZINC001609340812 1098255082 /nfs/dbraw/zinc/25/50/82/1098255082.db2.gz YQDLNSNLZPSJGV-WUXMJOGZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC001609352251 1098261717 /nfs/dbraw/zinc/26/17/17/1098261717.db2.gz TUVOAVNUQGZILN-BJMVGYQFSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC001609352251 1098261721 /nfs/dbraw/zinc/26/17/21/1098261721.db2.gz TUVOAVNUQGZILN-BJMVGYQFSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(OC)c2)cc1 ZINC001609352328 1098262585 /nfs/dbraw/zinc/26/25/85/1098262585.db2.gz XVGDGRDKMUAMPT-ONNFQVAWSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(OC)c2)cc1 ZINC001609352328 1098262588 /nfs/dbraw/zinc/26/25/88/1098262588.db2.gz XVGDGRDKMUAMPT-ONNFQVAWSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cccc(C2(CNc3c(C#N)cccc3-c3nnn[n-]3)CC2)c1 ZINC001609360684 1098265871 /nfs/dbraw/zinc/26/58/71/1098265871.db2.gz IBBAGAPASWQNQA-UHFFFAOYSA-N -1 3 346.394 2.891 20 30 EFEDHM COc1cccc(C2(CNc3c(C#N)cccc3-c3nn[n-]n3)CC2)c1 ZINC001609360684 1098265874 /nfs/dbraw/zinc/26/58/74/1098265874.db2.gz IBBAGAPASWQNQA-UHFFFAOYSA-N -1 3 346.394 2.891 20 30 EFEDHM Cc1c(C(=O)OCc2ccc(F)cc2C#N)cccc1-c1nnn[n-]1 ZINC001609382683 1098276010 /nfs/dbraw/zinc/27/60/10/1098276010.db2.gz NGWVVJRBNGVUAR-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C(=O)OCc2ccc(F)cc2C#N)cccc1-c1nn[n-]n1 ZINC001609382683 1098276017 /nfs/dbraw/zinc/27/60/17/1098276017.db2.gz NGWVVJRBNGVUAR-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(NC(=O)c2ccc(Cl)c(C#N)c2)cccc1-c1nnn[n-]1 ZINC001609385480 1098278110 /nfs/dbraw/zinc/27/81/10/1098278110.db2.gz SJCWLKFXXMISAO-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(NC(=O)c2ccc(Cl)c(C#N)c2)cccc1-c1nn[n-]n1 ZINC001609385480 1098278114 /nfs/dbraw/zinc/27/81/14/1098278114.db2.gz SJCWLKFXXMISAO-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1CON=C(N)c1ccc(Cl)cc1 ZINC001609388606 1098282745 /nfs/dbraw/zinc/28/27/45/1098282745.db2.gz WVQYJDQYGFQYQT-UHFFFAOYSA-N -1 3 342.790 2.666 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1CON=C(N)c1ccc(Cl)cc1 ZINC001609388606 1098282750 /nfs/dbraw/zinc/28/27/50/1098282750.db2.gz WVQYJDQYGFQYQT-UHFFFAOYSA-N -1 3 342.790 2.666 20 30 EFEDHM Cc1cc(C=C2COc3cc(F)ccc3C2=O)ccc1-c1nnn[n-]1 ZINC001609399600 1098289668 /nfs/dbraw/zinc/28/96/68/1098289668.db2.gz HEGYAIFGQJPGPH-GHXNOFRVSA-N -1 3 336.326 2.973 20 30 EFEDHM Cc1cc(C=C2COc3cc(F)ccc3C2=O)ccc1-c1nn[n-]n1 ZINC001609399600 1098289673 /nfs/dbraw/zinc/28/96/73/1098289673.db2.gz HEGYAIFGQJPGPH-GHXNOFRVSA-N -1 3 336.326 2.973 20 30 EFEDHM Cc1cc(COC(=O)c2cccc(CC#N)c2)ccc1-c1nnn[n-]1 ZINC001609402488 1098291817 /nfs/dbraw/zinc/29/18/17/1098291817.db2.gz HFCPELYTARCEPW-UHFFFAOYSA-N -1 3 333.351 2.598 20 30 EFEDHM Cc1cc(COC(=O)c2cccc(CC#N)c2)ccc1-c1nn[n-]n1 ZINC001609402488 1098291828 /nfs/dbraw/zinc/29/18/28/1098291828.db2.gz HFCPELYTARCEPW-UHFFFAOYSA-N -1 3 333.351 2.598 20 30 EFEDHM Cc1cc(CON=C(N)c2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC001609402710 1098292977 /nfs/dbraw/zinc/29/29/77/1098292977.db2.gz QPYIKLAYKGZXCO-UHFFFAOYSA-N -1 3 342.790 2.666 20 30 EFEDHM Cc1cc(OC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)c(C)c1C#N ZINC001609409921 1098297516 /nfs/dbraw/zinc/29/75/16/1098297516.db2.gz BOQWAGKJXCACRC-UHFFFAOYSA-N -1 3 347.378 2.812 20 30 EFEDHM Cc1cc(OC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)c(C)c1C#N ZINC001609409921 1098297521 /nfs/dbraw/zinc/29/75/21/1098297521.db2.gz BOQWAGKJXCACRC-UHFFFAOYSA-N -1 3 347.378 2.812 20 30 EFEDHM Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1-c1nnn[n-]1 ZINC001609418309 1098304597 /nfs/dbraw/zinc/30/45/97/1098304597.db2.gz FEKYGPRHOIXSTJ-KRWDZBQOSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)cc1-c1nn[n-]n1 ZINC001609418309 1098304604 /nfs/dbraw/zinc/30/46/04/1098304604.db2.gz FEKYGPRHOIXSTJ-KRWDZBQOSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1ccc(C)c(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609421342 1098306187 /nfs/dbraw/zinc/30/61/87/1098306187.db2.gz ZDSNJVSKFSMODZ-INIZCTEOSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1ccc(C)c(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609421342 1098306195 /nfs/dbraw/zinc/30/61/95/1098306195.db2.gz ZDSNJVSKFSMODZ-INIZCTEOSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1ccc(C)c(NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609421345 1098306203 /nfs/dbraw/zinc/30/62/03/1098306203.db2.gz ZDSNJVSKFSMODZ-MRXNPFEDSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1ccc(C)c(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609421345 1098306207 /nfs/dbraw/zinc/30/62/07/1098306207.db2.gz ZDSNJVSKFSMODZ-MRXNPFEDSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001609421895 1098307258 /nfs/dbraw/zinc/30/72/58/1098307258.db2.gz ARLQEYSLZNQKRM-WTKPLQERSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001609421895 1098307264 /nfs/dbraw/zinc/30/72/64/1098307264.db2.gz ARLQEYSLZNQKRM-WTKPLQERSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(N3CCC(C)(C#N)CC3)c2c1 ZINC001609429670 1098315539 /nfs/dbraw/zinc/31/55/39/1098315539.db2.gz VGSLTVAIAOTARX-UHFFFAOYSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(N3CCC(C)(C#N)CC3)c2c1 ZINC001609429670 1098315545 /nfs/dbraw/zinc/31/55/45/1098315545.db2.gz VGSLTVAIAOTARX-UHFFFAOYSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1ccccc1COC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609436567 1098321408 /nfs/dbraw/zinc/32/14/08/1098321408.db2.gz ZVPCOGISNXINLE-KRWDZBQOSA-N -1 3 347.378 2.601 20 30 EFEDHM Cc1ccccc1COC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609436567 1098321415 /nfs/dbraw/zinc/32/14/15/1098321415.db2.gz ZVPCOGISNXINLE-KRWDZBQOSA-N -1 3 347.378 2.601 20 30 EFEDHM Cc1nc(N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001609451957 1098329654 /nfs/dbraw/zinc/32/96/54/1098329654.db2.gz VVGCNGFSSJIPNH-SJORKVTESA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1nc(N2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001609451957 1098329661 /nfs/dbraw/zinc/32/96/61/1098329661.db2.gz VVGCNGFSSJIPNH-SJORKVTESA-N -1 3 345.410 2.846 20 30 EFEDHM N#CC1(COc2cc(Br)ccc2-c2nnn[n-]2)CCC1 ZINC001609493451 1098359514 /nfs/dbraw/zinc/35/95/14/1098359514.db2.gz JMMWYJIFQKGMJA-UHFFFAOYSA-N -1 3 334.177 2.702 20 30 EFEDHM N#CC1(COc2cc(Br)ccc2-c2nn[n-]n2)CCC1 ZINC001609493451 1098359522 /nfs/dbraw/zinc/35/95/22/1098359522.db2.gz JMMWYJIFQKGMJA-UHFFFAOYSA-N -1 3 334.177 2.702 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001609493774 1098359858 /nfs/dbraw/zinc/35/98/58/1098359858.db2.gz PYCRFPQGECJIAF-GOEBONIOSA-N -1 3 349.373 2.677 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001609493774 1098359864 /nfs/dbraw/zinc/35/98/64/1098359864.db2.gz PYCRFPQGECJIAF-GOEBONIOSA-N -1 3 349.373 2.677 20 30 EFEDHM N#C[C@@H]1CCC[C@@H](OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001609494858 1098359921 /nfs/dbraw/zinc/35/99/21/1098359921.db2.gz NVJUCHFDSVRRGI-IUODEOHRSA-N -1 3 337.383 2.524 20 30 EFEDHM N#C[C@@H]1CCC[C@@H](OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001609494858 1098359927 /nfs/dbraw/zinc/35/99/27/1098359927.db2.gz NVJUCHFDSVRRGI-IUODEOHRSA-N -1 3 337.383 2.524 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001609495251 1098360639 /nfs/dbraw/zinc/36/06/39/1098360639.db2.gz YVHUBOGRNANVEZ-DTWKUNHWSA-N -1 3 338.293 2.869 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001609495251 1098360641 /nfs/dbraw/zinc/36/06/41/1098360641.db2.gz YVHUBOGRNANVEZ-DTWKUNHWSA-N -1 3 338.293 2.869 20 30 EFEDHM N#Cc1ccc(COC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC001609498760 1098361562 /nfs/dbraw/zinc/36/15/62/1098361562.db2.gz YGVMKRUOABPKPR-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(COC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC001609498760 1098361569 /nfs/dbraw/zinc/36/15/69/1098361569.db2.gz YGVMKRUOABPKPR-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC001609498924 1098361620 /nfs/dbraw/zinc/36/16/20/1098361620.db2.gz XQTZPFLGMJSEKA-UHFFFAOYSA-N -1 3 343.705 2.750 20 30 EFEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC001609498924 1098361628 /nfs/dbraw/zinc/36/16/28/1098361628.db2.gz XQTZPFLGMJSEKA-UHFFFAOYSA-N -1 3 343.705 2.750 20 30 EFEDHM N#Cc1ccc(CNc2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)nc1 ZINC001609498275 1098362020 /nfs/dbraw/zinc/36/20/20/1098362020.db2.gz COTKBHYGUVIJSN-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1ccc(CNc2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)nc1 ZINC001609498275 1098362026 /nfs/dbraw/zinc/36/20/26/1098362026.db2.gz COTKBHYGUVIJSN-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM C=C(C)CN1CC2(CCC1=O)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001269682833 1098362255 /nfs/dbraw/zinc/36/22/55/1098362255.db2.gz RJNUQCSHIRYDSL-UHFFFAOYSA-N -1 3 342.439 2.813 20 30 EFEDHM N#Cc1cc(NC(=O)c2sccc2-c2nnn[n-]2)ccc1Cl ZINC001609498004 1098362669 /nfs/dbraw/zinc/36/26/69/1098362669.db2.gz VXOCONUNMPVVDH-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)c2sccc2-c2nn[n-]n2)ccc1Cl ZINC001609498004 1098362675 /nfs/dbraw/zinc/36/26/75/1098362675.db2.gz VXOCONUNMPVVDH-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccoc2C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001609497945 1098362754 /nfs/dbraw/zinc/36/27/54/1098362754.db2.gz QQRGQUTWBRASLC-UHFFFAOYSA-N -1 3 348.244 2.602 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccoc2C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001609497945 1098362762 /nfs/dbraw/zinc/36/27/62/1098362762.db2.gz QQRGQUTWBRASLC-UHFFFAOYSA-N -1 3 348.244 2.602 20 30 EFEDHM N#Cc1ccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001609498703 1098362835 /nfs/dbraw/zinc/36/28/35/1098362835.db2.gz XAJXCTHVWOSJEO-BQYQJAHWSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1ccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001609498703 1098362841 /nfs/dbraw/zinc/36/28/41/1098362841.db2.gz XAJXCTHVWOSJEO-BQYQJAHWSA-N -1 3 349.325 2.634 20 30 EFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccccc1[O-] ZINC001269683068 1098362927 /nfs/dbraw/zinc/36/29/27/1098362927.db2.gz YPOLKZMKQCGYOD-LJQANCHMSA-N -1 3 328.412 2.566 20 30 EFEDHM N#Cc1cnc(Sc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC001609500702 1098363273 /nfs/dbraw/zinc/36/32/73/1098363273.db2.gz SHKREOFUUMEDDX-UHFFFAOYSA-N -1 3 349.301 2.698 20 30 EFEDHM N#Cc1cnc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC001609500702 1098363275 /nfs/dbraw/zinc/36/32/75/1098363275.db2.gz SHKREOFUUMEDDX-UHFFFAOYSA-N -1 3 349.301 2.698 20 30 EFEDHM N#Cc1cccc(C2(C(=O)OCc3ccccc3-c3nnn[n-]3)CC2)c1 ZINC001609499677 1098363322 /nfs/dbraw/zinc/36/33/22/1098363322.db2.gz DURDMDMPSQFAKQ-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM N#Cc1cccc(C2(C(=O)OCc3ccccc3-c3nn[n-]n3)CC2)c1 ZINC001609499677 1098363328 /nfs/dbraw/zinc/36/33/28/1098363328.db2.gz DURDMDMPSQFAKQ-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](Cc2ccccc2)C1 ZINC001609499461 1098363394 /nfs/dbraw/zinc/36/33/94/1098363394.db2.gz QZZGWOQALQBXQO-OAHLLOKOSA-N -1 3 330.395 2.807 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](Cc2ccccc2)C1 ZINC001609499461 1098363401 /nfs/dbraw/zinc/36/34/01/1098363401.db2.gz QZZGWOQALQBXQO-OAHLLOKOSA-N -1 3 330.395 2.807 20 30 EFEDHM N#Cc1ccc(SCc2cn3ccccc3c2-c2nnn[n-]2)nc1 ZINC001609499493 1098363974 /nfs/dbraw/zinc/36/39/74/1098363974.db2.gz TXORRPMBMRCSCH-UHFFFAOYSA-N -1 3 333.380 2.678 20 30 EFEDHM N#Cc1ccc(SCc2cn3ccccc3c2-c2nn[n-]n2)nc1 ZINC001609499493 1098363982 /nfs/dbraw/zinc/36/39/82/1098363982.db2.gz TXORRPMBMRCSCH-UHFFFAOYSA-N -1 3 333.380 2.678 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001609499763 1098364054 /nfs/dbraw/zinc/36/40/54/1098364054.db2.gz IRHCRRSQQQNGML-BXUZGUMPSA-N -1 3 338.321 2.985 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001609499763 1098364061 /nfs/dbraw/zinc/36/40/61/1098364061.db2.gz IRHCRRSQQQNGML-BXUZGUMPSA-N -1 3 338.321 2.985 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609501004 1098364341 /nfs/dbraw/zinc/36/43/41/1098364341.db2.gz RRNHHMZWENZZNC-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609501004 1098364349 /nfs/dbraw/zinc/36/43/49/1098364349.db2.gz RRNHHMZWENZZNC-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001609517828 1098365229 /nfs/dbraw/zinc/36/52/29/1098365229.db2.gz QGOZJTWURUIZDU-QPJJXVBHSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001609517828 1098365237 /nfs/dbraw/zinc/36/52/37/1098365237.db2.gz QGOZJTWURUIZDU-QPJJXVBHSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccnn1-c1ccccc1 ZINC001609517765 1098365277 /nfs/dbraw/zinc/36/52/77/1098365277.db2.gz MODQCDZMZQMWKV-KTKRTIGZSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccnn1-c1ccccc1 ZINC001609517765 1098365283 /nfs/dbraw/zinc/36/52/83/1098365283.db2.gz MODQCDZMZQMWKV-KTKRTIGZSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)c1cnccn1 ZINC001609517961 1098365530 /nfs/dbraw/zinc/36/55/30/1098365530.db2.gz XCWNBYRPBCZYAD-ARJAWSKDSA-N -1 3 346.272 2.572 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cnccn1 ZINC001609517961 1098365536 /nfs/dbraw/zinc/36/55/36/1098365536.db2.gz XCWNBYRPBCZYAD-ARJAWSKDSA-N -1 3 346.272 2.572 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC001609518015 1098366651 /nfs/dbraw/zinc/36/66/51/1098366651.db2.gz YTJJBLIHSGMSJE-BAQGIRSFSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC001609518015 1098366656 /nfs/dbraw/zinc/36/66/56/1098366656.db2.gz YTJJBLIHSGMSJE-BAQGIRSFSA-N -1 3 339.286 2.810 20 30 EFEDHM c1cc2c(ncnc2N=NC2CCc3ccc(-c4nn[n-]n4)cc32)s1 ZINC001609621296 1098406353 /nfs/dbraw/zinc/40/63/53/1098406353.db2.gz ZETLLLMHWILKTB-UHFFFAOYSA-N -1 3 348.395 2.634 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC001609777755 1098454058 /nfs/dbraw/zinc/45/40/58/1098454058.db2.gz WZYQQPPOIUQTIU-UGSOOPFHSA-N -1 3 347.378 2.615 20 30 EFEDHM Cc1ccc([C@@H](NCc2cnc3ccc(C#N)cn23)C(=O)[O-])cc1C ZINC001610495287 1098712425 /nfs/dbraw/zinc/71/24/25/1098712425.db2.gz ODFYHCZVVKMLBR-GOSISDBHSA-N -1 3 334.379 2.738 20 30 EFEDHM N#Cc1c(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cccc1C(=O)[O-] ZINC001610623230 1098789031 /nfs/dbraw/zinc/78/90/31/1098789031.db2.gz KRCCRSZLQSVRON-USXIJHARSA-N -1 3 326.396 2.694 20 30 EFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC001610629878 1098794499 /nfs/dbraw/zinc/79/44/99/1098794499.db2.gz GFZMRPCAOQTXQY-BBWFWOEESA-N -1 3 326.396 2.717 20 30 EFEDHM CC(C)C[C@@H](CNc1ncccc1C#N)NC(=O)c1ccccc1[O-] ZINC001104897303 1098936136 /nfs/dbraw/zinc/93/61/36/1098936136.db2.gz HHIJLUHFYXZFDD-HNNXBMFYSA-N -1 3 338.411 2.915 20 30 EFEDHM COCCN(C(=O)c1cnc2ccccc2c1[O-])c1ccc(C#N)cc1 ZINC001126075622 1099378253 /nfs/dbraw/zinc/37/82/53/1099378253.db2.gz IOSCBDVBSLVUDO-UHFFFAOYSA-N -1 3 347.374 2.693 20 30 EFEDHM N#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001087421380 1099537337 /nfs/dbraw/zinc/53/73/37/1099537337.db2.gz AXBGYUDFSNQHOJ-SJLPKXTDSA-N -1 3 335.407 2.504 20 30 EFEDHM Cc1nc(N[C@H](CNC(=O)c2ccccc2[O-])C(C)C)ccc1C#N ZINC001105133306 1099777234 /nfs/dbraw/zinc/77/72/34/1099777234.db2.gz AFXCZDIGXZPCOL-MRXNPFEDSA-N -1 3 338.411 2.834 20 30 EFEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001627308327 1099981743 /nfs/dbraw/zinc/98/17/43/1099981743.db2.gz ZQODKKOJOOWCBC-OAHLLOKOSA-N -1 3 332.367 2.578 20 30 EFEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001627308327 1099981751 /nfs/dbraw/zinc/98/17/51/1099981751.db2.gz ZQODKKOJOOWCBC-OAHLLOKOSA-N -1 3 332.367 2.578 20 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C=C(C)C[C@H](C)C(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060172364 1107184015 /nfs/dbraw/zinc/18/40/15/1107184015.db2.gz FCSNJQCDMZQZMN-HOTGVXAUSA-N -1 3 344.455 2.963 20 30 EFEDHM N#CC1CCN(Cc2ccc(I)cc2[O-])CC1 ZINC001232975269 1107491883 /nfs/dbraw/zinc/49/18/83/1107491883.db2.gz YMRBAMDQBIPXNT-UHFFFAOYSA-N -1 3 342.180 2.732 20 30 EFEDHM CN(C)c1ccc(C#N)cc1CNCc1cccc(CCC(=O)[O-])c1 ZINC000904026273 1107545707 /nfs/dbraw/zinc/54/57/07/1107545707.db2.gz RTCWFKGNQBETFP-UHFFFAOYSA-N -1 3 337.423 2.931 20 30 EFEDHM CC(=O)N[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C(C)C ZINC000904178702 1107673396 /nfs/dbraw/zinc/67/33/96/1107673396.db2.gz RRXPZNJAFJZMJW-CYBMUJFWSA-N -1 3 333.215 2.872 20 30 EFEDHM COCc1nn(C)cc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180018 1107674048 /nfs/dbraw/zinc/67/40/48/1107674048.db2.gz HASSUPLYRRHAAC-UHFFFAOYSA-N -1 3 344.198 2.905 20 30 EFEDHM O=C(C[C@@H]1CCCC(=O)N1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180711 1107674416 /nfs/dbraw/zinc/67/44/16/1107674416.db2.gz NUSDIMVVIQOXIT-LBPRGKRZSA-N -1 3 331.199 2.770 20 30 EFEDHM O=C(C[C@H]1CCC(=O)NC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904179943 1107674509 /nfs/dbraw/zinc/67/45/09/1107674509.db2.gz DPQDNSYEHVEJBG-SECBINFHSA-N -1 3 331.199 2.628 20 30 EFEDHM O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N([O-])Cc1ccccc1Cl ZINC000904187881 1107674576 /nfs/dbraw/zinc/67/45/76/1107674576.db2.gz VTQBEDHHYSLFGI-CYBMUJFWSA-N -1 3 348.786 2.700 20 30 EFEDHM O=C(NC1CC1)C1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000904182910 1107675699 /nfs/dbraw/zinc/67/56/99/1107675699.db2.gz SYUJCULYBBLJPA-UHFFFAOYSA-N -1 3 343.210 2.770 20 30 EFEDHM O=C([C@H]1CC(=O)N(C2CC2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182350 1107675893 /nfs/dbraw/zinc/67/58/93/1107675893.db2.gz AYWWQASAHSYFOW-JTQLQIEISA-N -1 3 343.210 2.722 20 30 EFEDHM CC[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)N1CCCC1=O ZINC000904171937 1107689253 /nfs/dbraw/zinc/68/92/53/1107689253.db2.gz VEJLDHKHJCJKNA-KRWDZBQOSA-N -1 3 326.396 2.959 20 30 EFEDHM O=C(c1ccccc1CN1CCOCC1)N([O-])Cc1ccc(F)cc1 ZINC000904174775 1107690688 /nfs/dbraw/zinc/69/06/88/1107690688.db2.gz INLBHMYGMRSXMZ-UHFFFAOYSA-N -1 3 344.386 2.690 20 30 EFEDHM COCCCOc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cn1 ZINC000904175865 1107692321 /nfs/dbraw/zinc/69/23/21/1107692321.db2.gz YBLXHFLMDYHZKV-UHFFFAOYSA-N -1 3 334.347 2.668 20 30 EFEDHM CCCCN([O-])C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000904209137 1107699506 /nfs/dbraw/zinc/69/95/06/1107699506.db2.gz VPOHFDKRBCWZPH-NSHDSACASA-N -1 3 326.340 2.609 20 30 EFEDHM CCCCN([O-])C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000904210625 1107699547 /nfs/dbraw/zinc/69/95/47/1107699547.db2.gz VCBDRIIOBSVJQA-UHFFFAOYSA-N -1 3 347.459 2.968 20 30 EFEDHM CCCCN([O-])C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000904208945 1107699819 /nfs/dbraw/zinc/69/98/19/1107699819.db2.gz NNRYADJDRKPMMJ-KTKRTIGZSA-N -1 3 330.428 2.956 20 30 EFEDHM O=C(c1cnc(C2OCCO2)s1)N([O-])Cc1ccccc1Cl ZINC000904193660 1107705560 /nfs/dbraw/zinc/70/55/60/1107705560.db2.gz SFQVOAHKYLSBHM-UHFFFAOYSA-N -1 3 340.788 2.874 20 30 EFEDHM CN1CCC[C@H]1c1cc(C(=O)N([O-])Cc2ccccc2Cl)n[nH]1 ZINC000904192369 1107706436 /nfs/dbraw/zinc/70/64/36/1107706436.db2.gz JNCLWCMMPWDXTH-HNNXBMFYSA-N -1 3 334.807 2.861 20 30 EFEDHM CCCCN([O-])C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000904214828 1107738941 /nfs/dbraw/zinc/73/89/41/1107738941.db2.gz OVDBTSBNGZZTKH-UHFFFAOYSA-N -1 3 331.821 2.664 20 30 EFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)CC(F)(F)F)C1=O ZINC000192738789 1108073590 /nfs/dbraw/zinc/07/35/90/1108073590.db2.gz LWVWDRZEMJSDCN-CYBMUJFWSA-N -1 3 337.342 2.641 20 30 EFEDHM Cc1ccc(C#N)c(N[C@@H](C)C[C@@H](C)NC(=O)c2ccccc2[O-])n1 ZINC001089245187 1108174012 /nfs/dbraw/zinc/17/40/12/1108174012.db2.gz VSYNKAHBUJZOEA-UONOGXRCSA-N -1 3 338.411 2.976 20 30 EFEDHM Cc1ccc(C#N)c(N[C@@H](C)C[C@H](C)NC(=O)c2ccccc2[O-])n1 ZINC001089245184 1108174435 /nfs/dbraw/zinc/17/44/35/1108174435.db2.gz VSYNKAHBUJZOEA-KBPBESRZSA-N -1 3 338.411 2.976 20 30 EFEDHM CCOC(=O)[C@@](C)(C/N=C\c1c([O-])c(C)ncc1CO)CC(C)C ZINC000899226855 1109251838 /nfs/dbraw/zinc/25/18/38/1109251838.db2.gz AAQUHFTYDIIFDN-LMDZTEHRSA-N -1 3 336.432 2.622 20 30 EFEDHM CCC(=O)N1CCc2ccc(N=Cc3c([O-])c(C)ncc3CO)cc21 ZINC000899230273 1109254089 /nfs/dbraw/zinc/25/40/89/1109254089.db2.gz GBCYJKIKWPWMKD-UHFFFAOYSA-N -1 3 339.395 2.638 20 30 EFEDHM C=CCC(CC=C)C(=O)NCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001076664773 1110003854 /nfs/dbraw/zinc/00/38/54/1110003854.db2.gz LFBOYHXGSGEVAO-AWEZNQCLSA-N -1 3 330.428 2.785 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@H]23)nc1 ZINC001060498672 1111260303 /nfs/dbraw/zinc/26/03/03/1111260303.db2.gz LCJZQGOGJCZCBE-HYVNUMGLSA-N -1 3 348.406 2.622 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CC[C@H]3CN(C(=O)c4ccccc4[O-])C[C@H]32)cn1 ZINC001060500146 1111274602 /nfs/dbraw/zinc/27/46/02/1111274602.db2.gz QTZMLYMGIMTMQV-MORSLUCNSA-N -1 3 348.406 2.622 20 30 EFEDHM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])cc(F)cc1F ZINC001272616894 1111750399 /nfs/dbraw/zinc/75/03/99/1111750399.db2.gz PRIBDTRZSHJTAQ-HZPDHXFCSA-N -1 3 349.381 2.539 20 30 EFEDHM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000916913793 1111999958 /nfs/dbraw/zinc/99/99/58/1111999958.db2.gz YKCSGNMJFSHMOA-JTQLQIEISA-N -1 3 346.730 2.548 20 30 EFEDHM C=CCN1CCC2(CCN(Cc3ccc([O-])c(F)c3F)CC2)C1=O ZINC001272724611 1119496560 /nfs/dbraw/zinc/49/65/60/1119496560.db2.gz LXPMYXLLNRMKRL-UHFFFAOYSA-N -1 3 336.382 2.671 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000944262206 1120042446 /nfs/dbraw/zinc/04/24/46/1120042446.db2.gz OTBGFGGCAGDBHG-AUUYWEPGSA-N -1 3 330.428 2.715 20 30 EFEDHM CCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000177606369 529611773 /nfs/dbraw/zinc/61/17/73/529611773.db2.gz SSAPHWFELHFRFT-ZDUSSCGKSA-N -1 3 338.323 2.513 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc2ccccc2c1 ZINC000072235838 216075416 /nfs/dbraw/zinc/07/54/16/216075416.db2.gz RIXGIEFOMDZOAW-UHFFFAOYSA-N -1 3 346.390 2.983 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2cccc(N3CCCNC3=O)c2)n1 ZINC000176516207 239324128 /nfs/dbraw/zinc/32/41/28/239324128.db2.gz KGGGUDAFVNHOCW-AWEZNQCLSA-N -1 3 340.408 2.861 20 30 EFEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1c([O-])cccc1O ZINC000176836393 239341858 /nfs/dbraw/zinc/34/18/58/239341858.db2.gz IITHFRIMLASJJE-UHFFFAOYSA-N -1 3 335.281 2.898 20 30 EFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192201314 240031858 /nfs/dbraw/zinc/03/18/58/240031858.db2.gz XUGUJAABUJOPFZ-ZETCQYMHSA-N -1 3 337.626 2.683 20 30 EFEDHM CCO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000193544974 240115909 /nfs/dbraw/zinc/11/59/09/240115909.db2.gz KHUFHBFSSJUIDJ-MRXNPFEDSA-N -1 3 348.399 2.753 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ccc(Cl)cc3)C2)c1[O-] ZINC000271835336 240643325 /nfs/dbraw/zinc/64/33/25/240643325.db2.gz FOVJRESXTOKHGS-MNPVBQOISA-N -1 3 345.830 2.939 20 30 EFEDHM C[C@H]([N-]C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000288544690 241016075 /nfs/dbraw/zinc/01/60/75/241016075.db2.gz YKJKHTZDFGFFSE-YFKPBYRVSA-N -1 3 346.202 2.850 20 30 EFEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000288572018 241016098 /nfs/dbraw/zinc/01/60/98/241016098.db2.gz KUJDPLKIAOYWJB-SSDOTTSWSA-N -1 3 337.626 2.683 20 30 EFEDHM C=CCCc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000297396081 241119819 /nfs/dbraw/zinc/11/98/19/241119819.db2.gz SCMJJTWOCMEACZ-JTQLQIEISA-N -1 3 341.820 2.881 20 30 EFEDHM CCOCCOCc1cccc(/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000298658822 241157188 /nfs/dbraw/zinc/15/71/88/241157188.db2.gz QKXNOFRUDPTOPQ-SRZZPIQSSA-N -1 3 344.411 2.892 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000301997807 241192338 /nfs/dbraw/zinc/19/23/38/241192338.db2.gz PFBCDBSYNBTHHJ-HNNXBMFYSA-N -1 3 343.818 2.784 20 30 EFEDHM N#C[C@@H]1CSCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000297566868 241124202 /nfs/dbraw/zinc/12/42/02/241124202.db2.gz RVECUOZYTVHDHG-OAHLLOKOSA-N -1 3 326.421 2.946 20 30 EFEDHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1ncccc1[O-] ZINC000329068827 241295157 /nfs/dbraw/zinc/29/51/57/241295157.db2.gz MPEMBGBMOZNFOG-LLVKDONJSA-N -1 3 333.413 2.951 20 30 EFEDHM CCN1CCc2nc([N-]C(=O)c3ncoc3[C@@H]3CCCO3)sc2C1 ZINC000329466384 241374721 /nfs/dbraw/zinc/37/47/21/241374721.db2.gz RYZKQJZUDZGJHJ-NSHDSACASA-N -1 3 348.428 2.997 20 30 EFEDHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC000329615551 241406171 /nfs/dbraw/zinc/40/61/71/241406171.db2.gz POQSEVXCCATGCG-IFXJQAMLSA-N -1 3 344.411 2.645 20 30 EFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000351223930 241900218 /nfs/dbraw/zinc/90/02/18/241900218.db2.gz OAMMSXXNNRXHDF-LBPRGKRZSA-N -1 3 336.841 2.793 20 30 EFEDHM N#CC(=C([O-])c1cccc(NC(=O)c2ccco2)c1)c1ccncn1 ZINC000354470515 242001860 /nfs/dbraw/zinc/00/18/60/242001860.db2.gz SARNPDNBWKUAIS-CQSZACIVSA-N -1 3 332.319 2.812 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@](C)(C#N)CC(C)C ZINC000355726289 242045114 /nfs/dbraw/zinc/04/51/14/242045114.db2.gz IECLKLFEFGQPSV-SFHVURJKSA-N -1 3 328.416 2.653 20 30 EFEDHM N#CC[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000355825068 242046774 /nfs/dbraw/zinc/04/67/74/242046774.db2.gz BRAZGSUAAIUISY-KRWDZBQOSA-N -1 3 346.394 2.570 20 30 EFEDHM N#CC[C@@H](CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000355825068 242046780 /nfs/dbraw/zinc/04/67/80/242046780.db2.gz BRAZGSUAAIUISY-KRWDZBQOSA-N -1 3 346.394 2.570 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Oc1ccccc1 ZINC000355849987 242049959 /nfs/dbraw/zinc/04/99/59/242049959.db2.gz ZYYIDMDZXZRHDU-OAHLLOKOSA-N -1 3 336.457 2.847 20 30 EFEDHM C=CCN(Cc1cc([O-])cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000356069400 242059722 /nfs/dbraw/zinc/05/97/22/242059722.db2.gz VMQPMHKEIBSAOM-ZDUSSCGKSA-N -1 3 349.374 2.586 20 30 EFEDHM C=CCN(CC=C)[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000356338973 242067716 /nfs/dbraw/zinc/06/77/16/242067716.db2.gz LITMGOLTXXBRRF-KRWDZBQOSA-N -1 3 347.415 2.729 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2c[n-]nc2-c2ccccn2)cc1 ZINC000356507814 242072101 /nfs/dbraw/zinc/07/21/01/242072101.db2.gz RGXGNLVWJNHUTC-UHFFFAOYSA-N -1 3 334.379 2.967 20 30 EFEDHM C=CCSc1ccccc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000356993374 242084753 /nfs/dbraw/zinc/08/47/53/242084753.db2.gz GVYPMVXROVHJGW-UHFFFAOYSA-N -1 3 327.409 2.659 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(OC(C)C)nc3)nc1-2 ZINC000357665762 242101928 /nfs/dbraw/zinc/10/19/28/242101928.db2.gz WTUWXPJJPLTXIJ-CYBMUJFWSA-N -1 3 335.367 2.939 20 30 EFEDHM C=CCOCC(=O)Nc1n[n-]c(-c2cc(Cl)ccc2Cl)n1 ZINC000361360936 242221282 /nfs/dbraw/zinc/22/12/82/242221282.db2.gz ZNOQTBAHYBPBSO-UHFFFAOYSA-N -1 3 327.171 2.920 20 30 EFEDHM Cc1nc2ccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)cc2n1C ZINC000361719613 242231902 /nfs/dbraw/zinc/23/19/02/242231902.db2.gz DNLXWFJRZYZBPV-CYBMUJFWSA-N -1 3 344.378 2.952 20 30 EFEDHM C[C@@H](C#N)CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CC1 ZINC000412209294 243204148 /nfs/dbraw/zinc/20/41/48/243204148.db2.gz FWEXVEUWJAUPSS-JTQLQIEISA-N -1 3 329.787 2.946 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416399093 244671980 /nfs/dbraw/zinc/67/19/80/244671980.db2.gz OABKJOTYKZFVSW-SECBINFHSA-N -1 3 329.219 2.564 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416503977 244708297 /nfs/dbraw/zinc/70/82/97/244708297.db2.gz XULMXYQYAAWBHJ-UHFFFAOYSA-N -1 3 334.775 2.925 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000078399313 217048300 /nfs/dbraw/zinc/04/83/00/217048300.db2.gz WQHJZNUCDSWVCK-CRAIPNDOSA-N -1 3 341.455 2.977 20 30 EFEDHM C=CCC(C)(C)C(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422032889 246229364 /nfs/dbraw/zinc/22/93/64/246229364.db2.gz ANSIZJHFXGYENL-CYBMUJFWSA-N -1 3 337.391 2.582 20 30 EFEDHM Cc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cccc(C#N)c2)c(=O)[n-]1 ZINC000425329742 247044945 /nfs/dbraw/zinc/04/49/45/247044945.db2.gz WOJRKEOTNUUZSM-CYBMUJFWSA-N -1 3 338.411 2.823 20 30 EFEDHM N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000425605947 247143321 /nfs/dbraw/zinc/14/33/21/247143321.db2.gz DPEUZSDCDNNMSR-GXSJLCMTSA-N -1 3 338.205 2.646 20 30 EFEDHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427774156 247392444 /nfs/dbraw/zinc/39/24/44/247392444.db2.gz BFPKWHCJEDUNAL-UHFFFAOYSA-N -1 3 333.388 2.873 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000266055626 248066478 /nfs/dbraw/zinc/06/64/78/248066478.db2.gz CWSKMISQSPPYFM-LPHOPBHVSA-N -1 3 349.434 2.956 20 30 EFEDHM N#Cc1cc(F)ccc1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC000433979445 248111258 /nfs/dbraw/zinc/11/12/58/248111258.db2.gz CRPFULWVXZIIIA-UHFFFAOYSA-N -1 3 325.328 2.863 20 30 EFEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C2CC2)s1 ZINC000435434432 248240180 /nfs/dbraw/zinc/24/01/80/248240180.db2.gz YCYZSZPFJPUYPW-GFCCVEGCSA-N -1 3 339.467 2.814 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)s1 ZINC000435431999 248240920 /nfs/dbraw/zinc/24/09/20/248240920.db2.gz GVSRHYYLVXIVQF-UHFFFAOYSA-N -1 3 331.422 2.622 20 30 EFEDHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435433898 248241003 /nfs/dbraw/zinc/24/10/03/248241003.db2.gz VCBXAOPHGXHARJ-UHFFFAOYSA-N -1 3 336.438 2.676 20 30 EFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1(CC)CC ZINC000435429244 248241018 /nfs/dbraw/zinc/24/10/18/248241018.db2.gz VAKZHTLNVPJFOL-OLZOCXBDSA-N -1 3 342.486 2.882 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1ccc(F)cc1 ZINC000435443180 248241744 /nfs/dbraw/zinc/24/17/44/248241744.db2.gz PBGYMKLIKBAYMU-SNVBAGLBSA-N -1 3 340.401 2.505 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000435601391 249383060 /nfs/dbraw/zinc/38/30/60/249383060.db2.gz MDBUFYIASBFBJJ-ABAIWWIYSA-N -1 3 331.384 2.533 20 30 EFEDHM CCn1ncc2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c(C)nc21 ZINC000442122867 250065818 /nfs/dbraw/zinc/06/58/18/250065818.db2.gz JXUVQNFQFDXQPT-HNNXBMFYSA-N -1 3 334.383 2.657 20 30 EFEDHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000442827455 250127257 /nfs/dbraw/zinc/12/72/57/250127257.db2.gz PNQAXPBTIDTQGZ-CYBMUJFWSA-N -1 3 348.399 2.752 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000443230661 250175342 /nfs/dbraw/zinc/17/53/42/250175342.db2.gz YRGGZZCTRDECJC-UHFFFAOYSA-N -1 3 326.727 2.832 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccccc1 ZINC000443087136 250159980 /nfs/dbraw/zinc/15/99/80/250159980.db2.gz IUAXYCXAVJMTLQ-UHFFFAOYSA-N -1 3 336.800 2.569 20 30 EFEDHM C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443343369 250187139 /nfs/dbraw/zinc/18/71/39/250187139.db2.gz GCVGDINZPPEETD-NSHDSACASA-N -1 3 335.816 2.516 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1(Cc2ccccc2)CC1 ZINC000443506011 250200332 /nfs/dbraw/zinc/20/03/32/250200332.db2.gz BLVSHDYBCHVGHM-UHFFFAOYSA-N -1 3 344.411 2.999 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000443257234 250176840 /nfs/dbraw/zinc/17/68/40/250176840.db2.gz YDNQJSUNMGWGAZ-CJNGLKHVSA-N -1 3 330.384 2.607 20 30 EFEDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(C#N)c(C)c2)o1 ZINC000443912791 250235205 /nfs/dbraw/zinc/23/52/05/250235205.db2.gz GDKVHDWLZLWEJE-INIZCTEOSA-N -1 3 348.424 2.688 20 30 EFEDHM C=CC[C@H]1N(C(=O)c2cnc3c(cnn3C)c2[O-])CCCC1(C)C ZINC000444637445 250322072 /nfs/dbraw/zinc/32/20/72/250322072.db2.gz QSWBJMNUNSCBLP-CQSZACIVSA-N -1 3 328.416 2.881 20 30 EFEDHM COC(=O)c1cccc2nc(NC(=O)[C@]3(C#N)CC34CCCC4)[n-]c21 ZINC000450188047 251291253 /nfs/dbraw/zinc/29/12/53/251291253.db2.gz MQGQRNRNDHGQEG-GOSISDBHSA-N -1 3 338.367 2.762 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@]3(C#N)CC34CCCC4)nc21 ZINC000450188047 251291256 /nfs/dbraw/zinc/29/12/56/251291256.db2.gz MQGQRNRNDHGQEG-GOSISDBHSA-N -1 3 338.367 2.762 20 30 EFEDHM N#Cc1cccc([C@H]2CN(C(=O)Cc3ccc([O-])c(F)c3)CCO2)c1 ZINC000450288714 251331139 /nfs/dbraw/zinc/33/11/39/251331139.db2.gz AGTYQUNDQVPQBX-GOSISDBHSA-N -1 3 340.354 2.546 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000268806035 252258958 /nfs/dbraw/zinc/25/89/58/252258958.db2.gz RVHJACFWZZIFKQ-GFCCVEGCSA-N -1 3 335.429 2.856 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCCS2)c(Cl)c1 ZINC000126605761 141368533 /nfs/dbraw/zinc/36/85/33/141368533.db2.gz AUBXSPAEVGXEQC-LLVKDONJSA-N -1 3 330.862 2.776 20 30 EFEDHM N#Cc1ccc(N2CCC[C@@H](NCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000263375722 141388581 /nfs/dbraw/zinc/38/85/81/141388581.db2.gz ALMMULOWKJPHFH-GOSISDBHSA-N -1 3 349.390 2.542 20 30 EFEDHM N#Cc1ccc(N2CCC[C@H](NCc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000263427177 141393239 /nfs/dbraw/zinc/39/32/39/141393239.db2.gz QYVRFERQCQIGSK-SFHVURJKSA-N -1 3 349.390 2.542 20 30 EFEDHM N#Cc1ccc(N2CCC[C@@H](NCc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000263427175 141393297 /nfs/dbraw/zinc/39/32/97/141393297.db2.gz QYVRFERQCQIGSK-GOSISDBHSA-N -1 3 349.390 2.542 20 30 EFEDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184932787 292066464 /nfs/dbraw/zinc/06/64/64/292066464.db2.gz NSQOMOGUVRQULL-SNVBAGLBSA-N -1 3 330.837 2.694 20 30 EFEDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183748593 292066816 /nfs/dbraw/zinc/06/68/16/292066816.db2.gz BMFLTFNCLZKWKY-SNVBAGLBSA-N -1 3 330.837 2.694 20 30 EFEDHM CCC(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000344582503 142044467 /nfs/dbraw/zinc/04/44/67/142044467.db2.gz RDSALJRIIMZKDQ-UHFFFAOYSA-N -1 3 331.235 2.788 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Cl)cn1 ZINC000344768578 142075569 /nfs/dbraw/zinc/07/55/69/142075569.db2.gz DWXQODYAXVAKAV-SECBINFHSA-N -1 3 339.779 2.785 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc2[nH]ncc21 ZINC000346477183 142209688 /nfs/dbraw/zinc/20/96/88/142209688.db2.gz JTPCRWWGGDTYAY-UHFFFAOYSA-N -1 3 326.381 2.852 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc2[nH]ncc21 ZINC000346496601 142212163 /nfs/dbraw/zinc/21/21/63/142212163.db2.gz YMFCHAVXBOOBQP-UHFFFAOYSA-N -1 3 326.381 2.852 20 30 EFEDHM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C2)nc1 ZINC000341430585 145050834 /nfs/dbraw/zinc/05/08/34/145050834.db2.gz JBEAGSFVWVDWKO-CYBMUJFWSA-N -1 3 343.770 2.606 20 30 EFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cnn[n-]3)cc2F)c1 ZINC000342842079 145206946 /nfs/dbraw/zinc/20/69/46/145206946.db2.gz SOAZWQVKSPWMLZ-UHFFFAOYSA-N -1 3 337.314 2.647 20 30 EFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3c[n-]nn3)cc2F)c1 ZINC000342842079 145206947 /nfs/dbraw/zinc/20/69/47/145206947.db2.gz SOAZWQVKSPWMLZ-UHFFFAOYSA-N -1 3 337.314 2.647 20 30 EFEDHM N#Cc1cccc(COc2ccc(NC(=O)c3cn[n-]n3)cc2F)c1 ZINC000342842079 145206949 /nfs/dbraw/zinc/20/69/49/145206949.db2.gz SOAZWQVKSPWMLZ-UHFFFAOYSA-N -1 3 337.314 2.647 20 30 EFEDHM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(C)C ZINC000355717424 285880353 /nfs/dbraw/zinc/88/03/53/285880353.db2.gz TXOKBYKOBXOTGP-QCZZGDTMSA-N -1 3 342.848 2.549 20 30 EFEDHM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000351994430 146259431 /nfs/dbraw/zinc/25/94/31/146259431.db2.gz MZGPUPNWWWYKOA-UHFFFAOYSA-N -1 3 349.843 2.826 20 30 EFEDHM CC(C)CSCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355715094 147042249 /nfs/dbraw/zinc/04/22/49/147042249.db2.gz FLRPWDZJEKJYCV-UHFFFAOYSA-N -1 3 332.878 2.879 20 30 EFEDHM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1(C)C ZINC000356355064 147222260 /nfs/dbraw/zinc/22/22/60/147222260.db2.gz BYCCEJFMOUBVLM-UKRRQHHQSA-N -1 3 342.848 2.694 20 30 EFEDHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1(C)C ZINC000356622505 147293482 /nfs/dbraw/zinc/29/34/82/147293482.db2.gz NGOFJYBNLAIVDM-OWYVNGRQSA-N -1 3 342.848 2.549 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(F)(F)F ZINC000356675595 147306238 /nfs/dbraw/zinc/30/62/38/147306238.db2.gz OSJVYCBOYWGISS-SSDOTTSWSA-N -1 3 326.727 2.688 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000359285259 148045832 /nfs/dbraw/zinc/04/58/32/148045832.db2.gz MDDATWRUTMPUCT-UHFFFAOYSA-N -1 3 339.305 2.803 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000359285259 148045834 /nfs/dbraw/zinc/04/58/34/148045834.db2.gz MDDATWRUTMPUCT-UHFFFAOYSA-N -1 3 339.305 2.803 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000359285259 148045839 /nfs/dbraw/zinc/04/58/39/148045839.db2.gz MDDATWRUTMPUCT-UHFFFAOYSA-N -1 3 339.305 2.803 20 30 EFEDHM CC[C@H](C)N[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccco1 ZINC000359543928 148116874 /nfs/dbraw/zinc/11/68/74/148116874.db2.gz NMQRDQSSOHEIEF-SWLSCSKDSA-N -1 3 327.384 2.716 20 30 EFEDHM N#Cc1ccc(-n2ccc(NCc3cc([O-])cc(F)c3)n2)c(F)c1 ZINC000364865264 149264037 /nfs/dbraw/zinc/26/40/37/149264037.db2.gz VYJFHIIGVKIBCN-UHFFFAOYSA-N -1 3 326.306 2.762 20 30 EFEDHM C[C@H]1CC([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H](C)C1 ZINC000443250976 299727937 /nfs/dbraw/zinc/72/79/37/299727937.db2.gz WIWOUVPZEPIBGA-GHMZBOCLSA-N -1 3 337.401 2.569 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)s1 ZINC000369055567 150265325 /nfs/dbraw/zinc/26/53/25/150265325.db2.gz PBFGXFYXWIVJSD-LBPRGKRZSA-N -1 3 338.385 2.561 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3)C2)s1 ZINC000369173564 150292423 /nfs/dbraw/zinc/29/24/23/150292423.db2.gz IQMAOIXPDGHCSF-CYBMUJFWSA-N -1 3 347.465 2.567 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)s1 ZINC000373820802 151231544 /nfs/dbraw/zinc/23/15/44/151231544.db2.gz ZRCFAUXBUAEZMJ-HOCLYGCPSA-N -1 3 348.449 2.818 20 30 EFEDHM CC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000329264881 287060932 /nfs/dbraw/zinc/06/09/32/287060932.db2.gz FACDUEALHXMVCK-KOFHJDLBSA-N -1 3 336.436 2.976 20 30 EFEDHM CCCOc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)c(C)c1 ZINC000428402200 270028141 /nfs/dbraw/zinc/02/81/41/270028141.db2.gz NCTSPZZTCFYEKN-UHFFFAOYSA-N -1 3 345.424 2.529 20 30 EFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1cc(C)ccc1[O-] ZINC000184455857 265017912 /nfs/dbraw/zinc/01/79/12/265017912.db2.gz NZAPNTKWBKMMMA-UHFFFAOYSA-N -1 3 326.352 2.850 20 30 EFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1cccc(C)c1[O-] ZINC000184429594 265018014 /nfs/dbraw/zinc/01/80/14/265018014.db2.gz RVHOMPWOGUZSRK-UHFFFAOYSA-N -1 3 326.352 2.850 20 30 EFEDHM CSC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCC1 ZINC000194007541 265356903 /nfs/dbraw/zinc/35/69/03/265356903.db2.gz FDBVCDSBMOZVFS-UHFFFAOYSA-N -1 3 330.862 2.776 20 30 EFEDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000308568057 265998115 /nfs/dbraw/zinc/99/81/15/265998115.db2.gz ULLVUVQUMPCWKS-UHFFFAOYSA-N -1 3 330.837 2.695 20 30 EFEDHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CCO1 ZINC000331219024 266005593 /nfs/dbraw/zinc/00/55/93/266005593.db2.gz IBOUBGUCJZXJNC-GXTWGEPZSA-N -1 3 342.486 2.882 20 30 EFEDHM CCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCOCC1 ZINC000269835167 266014818 /nfs/dbraw/zinc/01/48/18/266014818.db2.gz PLIWSQSQUVXDKF-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM COCC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1ccc(C)o1 ZINC000272176223 266177821 /nfs/dbraw/zinc/17/78/21/266177821.db2.gz RLCYFLFBAUEZRU-HNNXBMFYSA-N -1 3 348.424 2.824 20 30 EFEDHM COCC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1C)c1ccco1 ZINC000272464794 266274558 /nfs/dbraw/zinc/27/45/58/266274558.db2.gz VWWSCNZWQPHDMO-AWEZNQCLSA-N -1 3 334.397 2.516 20 30 EFEDHM CCOC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)C ZINC000188386574 266283087 /nfs/dbraw/zinc/28/30/87/266283087.db2.gz AGDJEEHUSZPJCA-CYBMUJFWSA-N -1 3 330.837 2.551 20 30 EFEDHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000273567654 267088082 /nfs/dbraw/zinc/08/80/82/267088082.db2.gz NYKILPUZYHSTCZ-VXGBXAGGSA-N -1 3 342.848 2.695 20 30 EFEDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)ccc2O1 ZINC000178809426 267095267 /nfs/dbraw/zinc/09/52/67/267095267.db2.gz KRJNWGYINWRHDQ-SNVBAGLBSA-N -1 3 332.356 2.822 20 30 EFEDHM COc1ccc([C@@H](CC(=O)[O-])NCc2cccc(C#N)c2)cc1OC ZINC000277359643 267164319 /nfs/dbraw/zinc/16/43/19/267164319.db2.gz PULITWURPINZLL-MRXNPFEDSA-N -1 3 340.379 2.881 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000331853733 267186760 /nfs/dbraw/zinc/18/67/60/267186760.db2.gz VQWFDCLMFZSNCP-MMPTUQATSA-N -1 3 348.449 2.851 20 30 EFEDHM Cc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)ccc1[O-] ZINC000272548142 267319684 /nfs/dbraw/zinc/31/96/84/267319684.db2.gz YQYUJBWQKALJIM-UHFFFAOYSA-N -1 3 335.407 2.925 20 30 EFEDHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000530373200 267434110 /nfs/dbraw/zinc/43/41/10/267434110.db2.gz SRIZNUIZASBDKP-UHFFFAOYSA-N -1 3 340.420 2.571 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000523572288 267824935 /nfs/dbraw/zinc/82/49/35/267824935.db2.gz STRQDNNGUZECDC-LLVKDONJSA-N -1 3 336.363 2.918 20 30 EFEDHM Cc1ccoc1C[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000490302458 268066233 /nfs/dbraw/zinc/06/62/33/268066233.db2.gz UQBZOLQJMWFEPV-UHFFFAOYSA-N -1 3 344.314 2.957 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c1 ZINC000391012958 268099163 /nfs/dbraw/zinc/09/91/63/268099163.db2.gz AVODNNHAWNSCDG-JTQLQIEISA-N -1 3 334.775 2.925 20 30 EFEDHM N#Cc1ccc(N2CC[C@@H](C(=O)[N-]OCc3ccccc3)C2)c(F)c1 ZINC000288568801 268123727 /nfs/dbraw/zinc/12/37/27/268123727.db2.gz ZTGXZZIAIZALIR-MRXNPFEDSA-N -1 3 339.370 2.772 20 30 EFEDHM N#Cc1ccc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000488714155 268206368 /nfs/dbraw/zinc/20/63/68/268206368.db2.gz NRIPKTKGASOFAQ-UHFFFAOYSA-N -1 3 340.324 2.565 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cc(Cl)sc1Cl ZINC000312795749 268329727 /nfs/dbraw/zinc/32/97/27/268329727.db2.gz CXFPCGIUDWFRHD-UHFFFAOYSA-N -1 3 348.236 2.800 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000331142347 268330335 /nfs/dbraw/zinc/33/03/35/268330335.db2.gz HEXWHFVDCXXODQ-WDEREUQCSA-N -1 3 347.362 2.600 20 30 EFEDHM COc1ccc(OCCS(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000179028745 273042119 /nfs/dbraw/zinc/04/21/19/273042119.db2.gz PFPLUVXIOVLKPB-UHFFFAOYSA-N -1 3 346.408 2.696 20 30 EFEDHM CCCOCc1ccccc1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000286523712 269654241 /nfs/dbraw/zinc/65/42/41/269654241.db2.gz FWNGNPBMFQPTAI-UHFFFAOYSA-N -1 3 334.397 2.556 20 30 EFEDHM CCOC(=O)c1ccc(C#N)c(S[C@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000488607191 269667202 /nfs/dbraw/zinc/66/72/02/269667202.db2.gz IJQFLYJMQVCFSJ-SNVBAGLBSA-N -1 3 344.396 2.787 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(C)(C)C ZINC000443071688 288056594 /nfs/dbraw/zinc/05/65/94/288056594.db2.gz CQJSCNYRXIKBCY-ZDUSSCGKSA-N -1 3 325.390 2.569 20 30 EFEDHM Cc1c(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)cnn1C1CCCC1 ZINC000328711399 280239705 /nfs/dbraw/zinc/23/97/05/280239705.db2.gz BYEXNGVVZBQTLO-UHFFFAOYSA-N -1 3 330.392 2.505 20 30 EFEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccccc2C#N)C2CC2)s1 ZINC000122293324 292960680 /nfs/dbraw/zinc/96/06/80/292960680.db2.gz LPUVNSGTLQLLNG-CQSZACIVSA-N -1 3 333.438 2.753 20 30 EFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(C)(C)C ZINC000124226064 292994805 /nfs/dbraw/zinc/99/48/05/292994805.db2.gz UAJRECOJPZNNHF-ZDUSSCGKSA-N -1 3 330.837 2.551 20 30 EFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OC)cc1[O-] ZINC000124740507 293001715 /nfs/dbraw/zinc/00/17/15/293001715.db2.gz XAYLKDTUUZUFEH-UHFFFAOYSA-N -1 3 340.379 2.561 20 30 EFEDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)s1 ZINC000125840936 293018546 /nfs/dbraw/zinc/01/85/46/293018546.db2.gz VOUVJAIMHASKOC-UHFFFAOYSA-N -1 3 339.417 2.676 20 30 EFEDHM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000126345138 293035845 /nfs/dbraw/zinc/03/58/45/293035845.db2.gz VWAPDMYXFHIVFW-AWEZNQCLSA-N -1 3 337.401 2.714 20 30 EFEDHM N#Cc1cc(F)c(C(=O)[N-]c2nncn2Cc2ccccc2)c(F)c1 ZINC000152134428 293319116 /nfs/dbraw/zinc/31/91/16/293319116.db2.gz WCVLSKRCBYLYIU-UHFFFAOYSA-N -1 3 339.305 2.729 20 30 EFEDHM COCCS(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1 ZINC000154328203 293420417 /nfs/dbraw/zinc/42/04/17/293420417.db2.gz WAUXDLTXQFAITB-UHFFFAOYSA-N -1 3 346.408 2.525 20 30 EFEDHM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CC1 ZINC000416607086 294786451 /nfs/dbraw/zinc/78/64/51/294786451.db2.gz YIRZZDUWBNZGSX-ZUZCIYMTSA-N -1 3 342.848 2.694 20 30 EFEDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000442790879 299900950 /nfs/dbraw/zinc/90/09/50/299900950.db2.gz MLLCXXIJASTFPC-RYUDHWBXSA-N -1 3 337.401 2.714 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)CCCCC1 ZINC000330022533 303144267 /nfs/dbraw/zinc/14/42/67/303144267.db2.gz ZRHLESVNYPYAGO-HNNXBMFYSA-N -1 3 332.425 2.708 20 30 EFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000442808544 303178415 /nfs/dbraw/zinc/17/84/15/303178415.db2.gz HTOUWDSCGQMKSK-JHJVBQTASA-N -1 3 349.412 2.714 20 30 EFEDHM COc1cc(C(=O)N[C@H](C)c2ccc(C#N)cc2)cc(OC)c1[O-] ZINC000161554226 310710597 /nfs/dbraw/zinc/71/05/97/310710597.db2.gz VSAXFVVETPQMLQ-LLVKDONJSA-N -1 3 326.352 2.772 20 30 EFEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)CO2 ZINC000164626371 310731620 /nfs/dbraw/zinc/73/16/20/310731620.db2.gz QWBNLLCDKPSAKK-INIZCTEOSA-N -1 3 346.383 2.559 20 30 EFEDHM N#Cc1cnn(-c2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc2)c1N ZINC000350572061 311808282 /nfs/dbraw/zinc/80/82/82/311808282.db2.gz DQFQLNSKWBSXDZ-UHFFFAOYSA-N -1 3 344.334 2.749 20 30 EFEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)CO2 ZINC000522058847 316067297 /nfs/dbraw/zinc/06/72/97/316067297.db2.gz FYYQUMDBFWCLKV-MRXNPFEDSA-N -1 3 328.393 2.587 20 30 EFEDHM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000552114133 318243261 /nfs/dbraw/zinc/24/32/61/318243261.db2.gz DWAKINZFAPGTNF-UHFFFAOYSA-N -1 3 337.376 2.516 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)c(Cl)c1 ZINC000568028527 319238441 /nfs/dbraw/zinc/23/84/41/319238441.db2.gz HQUXGPGWXZFMAO-UHFFFAOYSA-N -1 3 337.788 2.556 20 30 EFEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)CCC2 ZINC000577095914 320077748 /nfs/dbraw/zinc/07/77/48/320077748.db2.gz JGDSRJALEMBHNO-HNNXBMFYSA-N -1 3 327.409 2.618 20 30 EFEDHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000577163482 320082763 /nfs/dbraw/zinc/08/27/63/320082763.db2.gz AIPDISCBZYXDGA-CYBMUJFWSA-N -1 3 347.415 2.782 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2Cc2ccccc2)c(F)c1 ZINC000578569359 320217285 /nfs/dbraw/zinc/21/72/85/320217285.db2.gz CENIHPJJHONFNJ-GDBMZVCRSA-N -1 3 330.384 2.607 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000582786665 324671207 /nfs/dbraw/zinc/67/12/07/324671207.db2.gz MREFXZZUBIGTFV-YOEHRIQHSA-N -1 3 327.428 2.999 20 30 EFEDHM N#CC(=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccccn1 ZINC000049458282 472949795 /nfs/dbraw/zinc/94/97/95/472949795.db2.gz QUPVBVPCSXZEBG-HNNXBMFYSA-N -1 3 333.307 2.666 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000058407208 472563551 /nfs/dbraw/zinc/56/35/51/472563551.db2.gz IOZODTNLMXBOAG-AWEZNQCLSA-N -1 3 334.339 2.648 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000058407208 472563557 /nfs/dbraw/zinc/56/35/57/472563557.db2.gz IOZODTNLMXBOAG-AWEZNQCLSA-N -1 3 334.339 2.648 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CC(c2ccccc2)=NO1 ZINC000058407208 472563565 /nfs/dbraw/zinc/56/35/65/472563565.db2.gz IOZODTNLMXBOAG-AWEZNQCLSA-N -1 3 334.339 2.648 20 30 EFEDHM CCc1cc(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)ccc1[O-] ZINC000487166978 468025895 /nfs/dbraw/zinc/02/58/95/468025895.db2.gz SWFQXGHCTOPRTO-UHFFFAOYSA-N -1 3 347.378 2.968 20 30 EFEDHM CCc1cnc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000184962025 473284515 /nfs/dbraw/zinc/28/45/15/473284515.db2.gz OMSFUODNUFXCQK-UHFFFAOYSA-N -1 3 341.845 2.709 20 30 EFEDHM CN(Cc1ccccc1[O-])[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083171167 473326274 /nfs/dbraw/zinc/32/62/74/473326274.db2.gz GXXKTGQGZFEMJM-CQSZACIVSA-N -1 3 327.409 2.563 20 30 EFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)C(C)(C)C#N)c(F)cc1F ZINC000112893010 473326938 /nfs/dbraw/zinc/32/69/38/473326938.db2.gz NPJIQQGIHLAFDP-UHFFFAOYSA-N -1 3 345.371 2.605 20 30 EFEDHM C#CCCCCNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000177233543 473338075 /nfs/dbraw/zinc/33/80/75/473338075.db2.gz WIPFMFJVAMWZSN-UHFFFAOYSA-N -1 3 343.427 2.556 20 30 EFEDHM N#C[C@@]1([N-]S(=O)(=O)c2ccc(F)c(F)c2)CCc2ccccc2C1 ZINC000185146066 473342929 /nfs/dbraw/zinc/34/29/29/473342929.db2.gz YIONMZHLQAVQCX-QGZVFWFLSA-N -1 3 348.374 2.694 20 30 EFEDHM N#C[C@@]1([N-]S(=O)(=O)c2cc(F)cc(F)c2)CCc2ccccc2C1 ZINC000185143574 473341988 /nfs/dbraw/zinc/34/19/88/473341988.db2.gz ZBCRPOQINMCZBF-QGZVFWFLSA-N -1 3 348.374 2.694 20 30 EFEDHM N#Cc1c([N-]C(=O)c2ccc(C(N)=O)s2)sc2c1CCCC2 ZINC000171295757 473356051 /nfs/dbraw/zinc/35/60/51/473356051.db2.gz GLWFVVFCGJKPCF-UHFFFAOYSA-N -1 3 331.422 2.911 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC000185214823 473365215 /nfs/dbraw/zinc/36/52/15/473365215.db2.gz YNVGLYBCSLXDIX-IAOVAPTHSA-N -1 3 344.823 2.828 20 30 EFEDHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)s1 ZINC000619752812 479874918 /nfs/dbraw/zinc/87/49/18/479874918.db2.gz ZPYXFYWPOTWFBS-UHFFFAOYSA-N -1 3 341.845 2.764 20 30 EFEDHM CCN(CC/N=C/c1c([O-])c(C)ncc1CO)c1cccc(C)c1 ZINC000005110921 471487210 /nfs/dbraw/zinc/48/72/10/471487210.db2.gz GGDQFMARYITLEX-UDWIEESQSA-N -1 3 327.428 2.842 20 30 EFEDHM N#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000016112044 471926938 /nfs/dbraw/zinc/92/69/38/471926938.db2.gz TZAZJEPRTQOHGP-UHFFFAOYSA-N -1 3 349.390 2.755 20 30 EFEDHM Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(F)c1 ZINC000019679985 471983605 /nfs/dbraw/zinc/98/36/05/471983605.db2.gz VWLHVLZRICLPHE-UHFFFAOYSA-N -1 3 327.359 2.882 20 30 EFEDHM Cc1cc(C(=O)[N-]c2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)on1 ZINC000022302141 472013011 /nfs/dbraw/zinc/01/30/11/472013011.db2.gz ZHWXGWXFDTYNEY-GHMZBOCLSA-N -1 3 336.417 2.685 20 30 EFEDHM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053527652 472016031 /nfs/dbraw/zinc/01/60/31/472016031.db2.gz NLHVMXMNHIZFEU-UHFFFAOYSA-N -1 3 346.350 2.539 20 30 EFEDHM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053527652 472016037 /nfs/dbraw/zinc/01/60/37/472016037.db2.gz NLHVMXMNHIZFEU-UHFFFAOYSA-N -1 3 346.350 2.539 20 30 EFEDHM O=C(Cc1cc2ccccc2[nH]c1=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053527652 472016041 /nfs/dbraw/zinc/01/60/41/472016041.db2.gz NLHVMXMNHIZFEU-UHFFFAOYSA-N -1 3 346.350 2.539 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cncc(Br)c2)nc(C)n1 ZINC000041574210 472070686 /nfs/dbraw/zinc/07/06/86/472070686.db2.gz FOVOALZNOYQRBL-LBPRGKRZSA-N -1 3 331.173 2.741 20 30 EFEDHM C=CCNC(=O)Cc1nc(=O)c2c(C)c(-c3ccccc3)sc2[n-]1 ZINC000055503158 472195710 /nfs/dbraw/zinc/19/57/10/472195710.db2.gz DELQSCYXXCEUIZ-UHFFFAOYSA-N -1 3 339.420 2.805 20 30 EFEDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000028242174 472218763 /nfs/dbraw/zinc/21/87/63/472218763.db2.gz RIOSHAPOLJYGRR-UHFFFAOYSA-N -1 3 342.380 2.637 20 30 EFEDHM Cc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000076175067 472290885 /nfs/dbraw/zinc/29/08/85/472290885.db2.gz UYAJJHUMWIANSB-UHFFFAOYSA-N -1 3 343.452 2.825 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000030359923 472330159 /nfs/dbraw/zinc/33/01/59/472330159.db2.gz ZNEJHCWTDCLKFR-LLVKDONJSA-N -1 3 331.353 2.506 20 30 EFEDHM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cnn[n-]1 ZINC000069533263 472366346 /nfs/dbraw/zinc/36/63/46/472366346.db2.gz HDEXQVGXAQTLHW-UHFFFAOYSA-N -1 3 333.351 2.816 20 30 EFEDHM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[n-]nn1 ZINC000069533263 472366352 /nfs/dbraw/zinc/36/63/52/472366352.db2.gz HDEXQVGXAQTLHW-UHFFFAOYSA-N -1 3 333.351 2.816 20 30 EFEDHM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1cn[n-]n1 ZINC000069533263 472366356 /nfs/dbraw/zinc/36/63/56/472366356.db2.gz HDEXQVGXAQTLHW-UHFFFAOYSA-N -1 3 333.351 2.816 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000045218223 472384029 /nfs/dbraw/zinc/38/40/29/472384029.db2.gz PPHWDAOWDCDRDA-ZDUSSCGKSA-N -1 3 348.406 2.545 20 30 EFEDHM CSc1nc([O-])c(C(=O)Nc2cccc3c[nH]nc32)cc1C#N ZINC000031906675 472401133 /nfs/dbraw/zinc/40/11/33/472401133.db2.gz UHWKOMUVMGWGRT-UHFFFAOYSA-N -1 3 325.353 2.509 20 30 EFEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCC#Cc1ccc(Cl)cc1 ZINC000154330326 472419146 /nfs/dbraw/zinc/41/91/46/472419146.db2.gz MPOXQUIIBUFPMF-UHFFFAOYSA-N -1 3 348.811 2.662 20 30 EFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117733430 472475933 /nfs/dbraw/zinc/47/59/33/472475933.db2.gz OKXVRHAERFJPGK-CQSZACIVSA-N -1 3 347.378 2.604 20 30 EFEDHM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc(=O)[nH]1 ZINC000097370240 472492027 /nfs/dbraw/zinc/49/20/27/472492027.db2.gz LLVIWLVHNOZQIV-ZDUSSCGKSA-N -1 3 336.376 2.692 20 30 EFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000077373856 472515313 /nfs/dbraw/zinc/51/53/13/472515313.db2.gz VXEDIEYTBWCXJC-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(C)C)CC(C)C ZINC000070870317 472518711 /nfs/dbraw/zinc/51/87/11/472518711.db2.gz YXUGCJLICCGHIB-UHFFFAOYSA-N -1 3 331.460 2.937 20 30 EFEDHM COc1ccccc1/C=C/C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000058357409 472555147 /nfs/dbraw/zinc/55/51/47/472555147.db2.gz LBRWFOODMXVXDK-FMIVXFBMSA-N -1 3 331.393 2.963 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC1CCCCC1 ZINC000046576925 472572538 /nfs/dbraw/zinc/57/25/38/472572538.db2.gz JOGAYUFCWFRYPE-UHFFFAOYSA-N -1 3 329.444 2.835 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000130435710 472606567 /nfs/dbraw/zinc/60/65/67/472606567.db2.gz MBJGAQBOUKHJGT-IUODEOHRSA-N -1 3 337.401 2.654 20 30 EFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C(=O)N(CC=C)CC=C)cc1 ZINC000120113154 472633901 /nfs/dbraw/zinc/63/39/01/472633901.db2.gz XBNOSYLKRLCFAN-UHFFFAOYSA-N -1 3 334.441 2.819 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccsc1 ZINC000072276925 472645286 /nfs/dbraw/zinc/64/52/86/472645286.db2.gz HWEVUYMWXLAUKW-UHFFFAOYSA-N -1 3 329.425 2.516 20 30 EFEDHM CC(=O)c1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000060950529 472684660 /nfs/dbraw/zinc/68/46/60/472684660.db2.gz UFTJSFZHKSNNRH-UHFFFAOYSA-N -1 3 337.379 2.637 20 30 EFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047343284 472692711 /nfs/dbraw/zinc/69/27/11/472692711.db2.gz XXEMFJDYETXUMM-LLVKDONJSA-N -1 3 334.339 2.794 20 30 EFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343284 472692716 /nfs/dbraw/zinc/69/27/16/472692716.db2.gz XXEMFJDYETXUMM-LLVKDONJSA-N -1 3 334.339 2.794 20 30 EFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047343284 472692720 /nfs/dbraw/zinc/69/27/20/472692720.db2.gz XXEMFJDYETXUMM-LLVKDONJSA-N -1 3 334.339 2.794 20 30 EFEDHM N#CC(=C([O-])c1ccc(C(N)=O)cc1)c1ccc(C(F)(F)F)cn1 ZINC000047371581 472699221 /nfs/dbraw/zinc/69/92/21/472699221.db2.gz ZSPSFVHFAHMHSH-GFCCVEGCSA-N -1 3 333.269 2.689 20 30 EFEDHM Cn1ccc(N2CCC[C@H](/N=C/c3c([O-])ccc4ccccc43)C2=O)n1 ZINC000132394524 472730767 /nfs/dbraw/zinc/73/07/67/472730767.db2.gz KMDIUWDXRHUFKS-RSZPVBOMSA-N -1 3 348.406 2.893 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000156655351 472737223 /nfs/dbraw/zinc/73/72/23/472737223.db2.gz CURBYFIQESYVDA-GFCCVEGCSA-N -1 3 332.812 2.830 20 30 EFEDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000156874795 472762320 /nfs/dbraw/zinc/76/23/20/472762320.db2.gz XJFSXBYOGXWRQM-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCC[N-]C(=O)C(F)(F)F ZINC000091588172 472780088 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C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000353152967 475725587 /nfs/dbraw/zinc/72/55/87/475725587.db2.gz PTJZLZLVGDRVRY-LLVKDONJSA-N -1 3 331.821 2.760 20 30 EFEDHM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1(C)C ZINC000361820000 475781582 /nfs/dbraw/zinc/78/15/82/475781582.db2.gz ABOCSFGKDYZXCC-HUUCEWRRSA-N -1 3 340.420 2.568 20 30 EFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)C1 ZINC000333150867 475851764 /nfs/dbraw/zinc/85/17/64/475851764.db2.gz KOTWPRRLHNVIFB-DVOMOZLQSA-N -1 3 336.461 2.531 20 30 EFEDHM COC(=O)c1ccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)[n-]1 ZINC000343217485 475863161 /nfs/dbraw/zinc/86/31/61/475863161.db2.gz NFGXHCBLEOCWMD-UHFFFAOYSA-N -1 3 327.340 2.712 20 30 EFEDHM CNc1ccc(C#N)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000355362686 475867965 /nfs/dbraw/zinc/86/79/65/475867965.db2.gz HZASSTNKLHCDGE-UHFFFAOYSA-N -1 3 336.311 2.637 20 30 EFEDHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000362097691 475998534 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XXENVDYSSPPKRX-SNVBAGLBSA-N -1 3 345.384 2.832 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccon1 ZINC000336955802 476228328 /nfs/dbraw/zinc/22/83/28/476228328.db2.gz YTHOWDLUVJEKKY-QMMMGPOBSA-N -1 3 345.302 2.605 20 30 EFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000351108632 476340049 /nfs/dbraw/zinc/34/00/49/476340049.db2.gz MDUMHVIHYGQHRX-LBPRGKRZSA-N -1 3 337.228 2.590 20 30 EFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@](C)(C#N)CCSC)c1 ZINC000351161626 476349888 /nfs/dbraw/zinc/34/98/88/476349888.db2.gz HADYUFUFDVSMHK-ZDUSSCGKSA-N -1 3 348.877 2.662 20 30 EFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000351224844 476370003 /nfs/dbraw/zinc/37/00/03/476370003.db2.gz OKXCOHWGYDYXFR-AWEZNQCLSA-N -1 3 330.450 2.589 20 30 EFEDHM C=C(C)C(C)(C)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000351294941 476400299 /nfs/dbraw/zinc/40/02/99/476400299.db2.gz PEEFDSRPUXDZEJ-GOSISDBHSA-N -1 3 340.383 2.645 20 30 EFEDHM N#CC(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1nc(-c2ccncc2)cs1 ZINC000354148115 476461483 /nfs/dbraw/zinc/46/14/83/476461483.db2.gz HNTPWGAVEJBAOG-JTQLQIEISA-N -1 3 339.336 2.931 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](c2ccco2)C1 ZINC000377611123 476472530 /nfs/dbraw/zinc/47/25/30/476472530.db2.gz HWFHAOPYIVCCNR-CQSZACIVSA-N -1 3 339.395 2.817 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cnc3c(cnn3CC(C)C)c2)nc(C)n1 ZINC000354180494 476483931 /nfs/dbraw/zinc/48/39/31/476483931.db2.gz QZYSVNUPIBYOPA-MRXNPFEDSA-N -1 3 348.410 2.984 20 30 EFEDHM C=C(C)CCc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000351624289 476486236 /nfs/dbraw/zinc/48/62/36/476486236.db2.gz ZJUJHUMMWMTXHZ-ZDUSSCGKSA-N -1 3 335.429 2.926 20 30 EFEDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)OC ZINC000362974931 476512575 /nfs/dbraw/zinc/51/25/75/476512575.db2.gz CELGLMXMKBBLNW-GXFFZTMASA-N -1 3 330.837 2.551 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)ccc1C#N ZINC000365517682 476600929 /nfs/dbraw/zinc/60/09/29/476600929.db2.gz DXSDRSBLKZAONR-UHFFFAOYSA-N -1 3 341.436 2.655 20 30 EFEDHM N#CC(=C([O-])c1ccc2nc(C(F)(F)F)cn2c1)c1ccncn1 ZINC000352366041 476665858 /nfs/dbraw/zinc/66/58/58/476665858.db2.gz AMVSRNPYSSXLQC-JTQLQIEISA-N -1 3 331.257 2.633 20 30 EFEDHM CC(C)(C)CC[C@@H]([N-]S(=O)(=O)CCCC#N)C(=O)OC(C)(C)C ZINC000451901682 476710978 /nfs/dbraw/zinc/71/09/78/476710978.db2.gz MKLCNVBAHQEMJK-CYBMUJFWSA-N -1 3 346.493 2.746 20 30 EFEDHM N#CCC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 ZINC000429923937 476718110 /nfs/dbraw/zinc/71/81/10/476718110.db2.gz MBOKAYJIIFDGBH-UHFFFAOYSA-N -1 3 336.310 2.817 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000451913718 476722481 /nfs/dbraw/zinc/72/24/81/476722481.db2.gz XQRZBIWBNATXQS-KGLIPLIRSA-N -1 3 333.812 2.632 20 30 EFEDHM COc1ccc(CNCC2(CC#N)CC2)c(Br)c1[O-] ZINC000430037494 476740092 /nfs/dbraw/zinc/74/00/92/476740092.db2.gz IHBIXNHDBLKVOQ-UHFFFAOYSA-N -1 3 325.206 2.947 20 30 EFEDHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000452071283 476806898 /nfs/dbraw/zinc/80/68/98/476806898.db2.gz UDQYLTYFQGYZRY-ZIAGYGMSSA-N -1 3 342.848 2.838 20 30 EFEDHM Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]S(=O)(=O)c1cccnc1C#N ZINC000408372472 476948929 /nfs/dbraw/zinc/94/89/29/476948929.db2.gz CFMGRZPKFZKAFV-CYBMUJFWSA-N -1 3 345.424 2.847 20 30 EFEDHM N#CCSc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000431171509 476988200 /nfs/dbraw/zinc/98/82/00/476988200.db2.gz YWJJTWSWMSKPIS-UHFFFAOYSA-N -1 3 336.380 2.735 20 30 EFEDHM N#CCSc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000431171509 476988207 /nfs/dbraw/zinc/98/82/07/476988207.db2.gz YWJJTWSWMSKPIS-UHFFFAOYSA-N -1 3 336.380 2.735 20 30 EFEDHM N#Cc1cccc(-c2cc(C(=O)NCc3ccc([O-])c(F)c3)on2)c1 ZINC000447551347 477010875 /nfs/dbraw/zinc/01/08/75/477010875.db2.gz KKNLTTDKRHCLKB-UHFFFAOYSA-N -1 3 337.310 2.988 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000431875391 477113336 /nfs/dbraw/zinc/11/33/36/477113336.db2.gz LYMSBAGLNKYJOL-UHFFFAOYSA-N -1 3 347.371 2.630 20 30 EFEDHM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416392367 477158020 /nfs/dbraw/zinc/15/80/20/477158020.db2.gz SCSQGRRRWHDMHT-VIFPVBQESA-N -1 3 343.246 2.788 20 30 EFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC000416425053 477169116 /nfs/dbraw/zinc/16/91/16/477169116.db2.gz GXQODSBDCYLESQ-GFCCVEGCSA-N -1 3 341.230 2.708 20 30 EFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000416425054 477169657 /nfs/dbraw/zinc/16/96/57/477169657.db2.gz GXQODSBDCYLESQ-LBPRGKRZSA-N -1 3 341.230 2.708 20 30 EFEDHM Cc1nc(C[N-]S(=O)(=O)[C@H](C)C#N)oc1-c1ccc(Cl)cc1 ZINC000416422570 477170243 /nfs/dbraw/zinc/17/02/43/477170243.db2.gz MUAKMOPPUSCMDY-SECBINFHSA-N -1 3 339.804 2.635 20 30 EFEDHM COC1(C[N-]S(=O)(=O)[C@H](C)C#N)CCC(c2ccccc2)CC1 ZINC000416486088 477185758 /nfs/dbraw/zinc/18/57/58/477185758.db2.gz HPBDMBXBJLWTIN-ODIFPOPNSA-N -1 3 336.457 2.561 20 30 EFEDHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000416504582 477191745 /nfs/dbraw/zinc/19/17/45/477191745.db2.gz WFFKGTGOKPIYBZ-LBPRGKRZSA-N -1 3 342.848 2.695 20 30 EFEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000416529135 477202856 /nfs/dbraw/zinc/20/28/56/477202856.db2.gz JCOZGABGHPWFDW-UHFFFAOYSA-N -1 3 349.225 2.806 20 30 EFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C1CC1 ZINC000416586345 477228462 /nfs/dbraw/zinc/22/84/62/477228462.db2.gz OSIOQJXPQNTTSD-OLZOCXBDSA-N -1 3 349.412 2.571 20 30 EFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)CC(F)(F)F ZINC000416586064 477228940 /nfs/dbraw/zinc/22/89/40/477228940.db2.gz CFGUVFUOGCXYCN-VIFPVBQESA-N -1 3 338.326 2.954 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000416632493 477244109 /nfs/dbraw/zinc/24/41/09/477244109.db2.gz LFIHLIINCVOZES-INIZCTEOSA-N -1 3 333.457 2.677 20 30 EFEDHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000416662004 477254524 /nfs/dbraw/zinc/25/45/24/477254524.db2.gz NRDLANHEKQITIW-CQSZACIVSA-N -1 3 347.465 2.933 20 30 EFEDHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2(C#N)CCC2)cc1Cl ZINC000416673919 477258113 /nfs/dbraw/zinc/25/81/13/477258113.db2.gz VFIROWAVBXGJSG-UHFFFAOYSA-N -1 3 349.239 2.974 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000416674961 477259106 /nfs/dbraw/zinc/25/91/06/477259106.db2.gz WJXQJAFTQGKLSB-UHFFFAOYSA-N -1 3 347.209 2.560 20 30 EFEDHM C=C(C)COc1cccc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424069995 477280733 /nfs/dbraw/zinc/28/07/33/477280733.db2.gz WLUPJVUXNLYSJL-UHFFFAOYSA-N -1 3 325.430 2.810 20 30 EFEDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000376327182 477283977 /nfs/dbraw/zinc/28/39/77/477283977.db2.gz HEVLRGPQEXMZJU-RTHLEPHNSA-N -1 3 338.385 2.559 20 30 EFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000416941792 477380406 /nfs/dbraw/zinc/38/04/06/477380406.db2.gz QSSATSIEKWFRGE-CYBMUJFWSA-N -1 3 336.392 2.672 20 30 EFEDHM CC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000454946373 477439943 /nfs/dbraw/zinc/43/99/43/477439943.db2.gz MVEXCYBVILBZNA-UHFFFAOYSA-N -1 3 337.305 2.903 20 30 EFEDHM CC(C)(Cc1ccc(C#N)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000454946373 477439948 /nfs/dbraw/zinc/43/99/48/477439948.db2.gz MVEXCYBVILBZNA-UHFFFAOYSA-N -1 3 337.305 2.903 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000412839656 477457457 /nfs/dbraw/zinc/45/74/57/477457457.db2.gz LYDJXPXUTSBOTF-INIZCTEOSA-N -1 3 325.412 2.645 20 30 EFEDHM C=C[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554393 477513414 /nfs/dbraw/zinc/51/34/14/477513414.db2.gz HDSCQTIWMNKNLN-RDTXWAMCSA-N -1 3 338.407 2.944 20 30 EFEDHM C=CC[C@@H](CO)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436617494 477535784 /nfs/dbraw/zinc/53/57/84/477535784.db2.gz NMVNEBUXRFPSTR-QGZVFWFLSA-N -1 3 325.408 2.897 20 30 EFEDHM C=CCC1(CNC(=O)N=c2cc(OC(F)F)n(C)[n-]2)CCCC1 ZINC000455209637 477546085 /nfs/dbraw/zinc/54/60/85/477546085.db2.gz NJHRRCNVELOMIU-UHFFFAOYSA-N -1 3 328.363 2.701 20 30 EFEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2cc(C)ccn2)c1CCC ZINC000376927257 477566458 /nfs/dbraw/zinc/56/64/58/477566458.db2.gz NWJFRCWQEDISCC-UHFFFAOYSA-N -1 3 334.445 2.846 20 30 EFEDHM C=C(CNC(=O)CCNC(=O)c1ccc(C)cc1[O-])c1ccccc1 ZINC000436732024 477574123 /nfs/dbraw/zinc/57/41/23/477574123.db2.gz BNGLKXSJHLMBQG-UHFFFAOYSA-N -1 3 338.407 2.650 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(C)(F)F ZINC000451067814 477807773 /nfs/dbraw/zinc/80/77/73/477807773.db2.gz AIEIXHNQLUCYNO-SSDOTTSWSA-N -1 3 342.289 2.899 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(C)(F)F ZINC000451070914 477809695 /nfs/dbraw/zinc/80/96/95/477809695.db2.gz PVYDULTUSYHAQP-SSDOTTSWSA-N -1 3 342.289 2.899 20 30 EFEDHM N#CCc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c(Cl)c1 ZINC000451071404 477809778 /nfs/dbraw/zinc/80/97/78/477809778.db2.gz SEQCTZJVWYMKEY-LBPRGKRZSA-N -1 3 328.821 2.717 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCSc2ccc(F)cc21 ZINC000428231545 477848169 /nfs/dbraw/zinc/84/81/69/477848169.db2.gz RQYVTELUFGNKDB-GFCCVEGCSA-N -1 3 349.412 2.608 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000428261827 477855198 /nfs/dbraw/zinc/85/51/98/477855198.db2.gz OPMULISYASCQSN-QGZVFWFLSA-N -1 3 345.399 2.912 20 30 EFEDHM Cn1ncc2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cnc21 ZINC000531340352 477900526 /nfs/dbraw/zinc/90/05/26/477900526.db2.gz VFOJQFPDPNHTCG-GFCCVEGCSA-N -1 3 345.284 2.872 20 30 EFEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2)o1 ZINC000532123888 477919819 /nfs/dbraw/zinc/91/98/19/477919819.db2.gz GKMZKTJMKRXAHH-HNNXBMFYSA-N -1 3 333.351 2.942 20 30 EFEDHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000421147841 477982458 /nfs/dbraw/zinc/98/24/58/477982458.db2.gz FTCMFKVIWJOFIW-SFHVURJKSA-N -1 3 344.436 2.752 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000532765628 477985529 /nfs/dbraw/zinc/98/55/29/477985529.db2.gz APVYUDYMRYGLHM-QMMMGPOBSA-N -1 3 337.228 2.973 20 30 EFEDHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)o1 ZINC000532761827 477985748 /nfs/dbraw/zinc/98/57/48/477985748.db2.gz XYLFQVTVHCUPTH-IINYFYTJSA-N -1 3 334.372 2.892 20 30 EFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000532765627 477985762 /nfs/dbraw/zinc/98/57/62/477985762.db2.gz APVYUDYMRYGLHM-MRVPVSSYSA-N -1 3 337.228 2.973 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000451394717 477990863 /nfs/dbraw/zinc/99/08/63/477990863.db2.gz TWYCWCHIJOJTSR-CJNGLKHVSA-N -1 3 329.400 2.673 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000451394717 477990872 /nfs/dbraw/zinc/99/08/72/477990872.db2.gz TWYCWCHIJOJTSR-CJNGLKHVSA-N -1 3 329.400 2.673 20 30 EFEDHM CCCC[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(=O)OC(C)(C)C ZINC000451393518 477991180 /nfs/dbraw/zinc/99/11/80/477991180.db2.gz PWSIHOPDBQBIAW-ZDUSSCGKSA-N -1 3 344.477 2.500 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000451394719 477991372 /nfs/dbraw/zinc/99/13/72/477991372.db2.gz TWYCWCHIJOJTSR-XJKSGUPXSA-N -1 3 329.400 2.673 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000451394719 477991382 /nfs/dbraw/zinc/99/13/82/477991382.db2.gz TWYCWCHIJOJTSR-XJKSGUPXSA-N -1 3 329.400 2.673 20 30 EFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1 ZINC000472696281 478014805 /nfs/dbraw/zinc/01/48/05/478014805.db2.gz ZAABAMCEODWGRU-UHFFFAOYSA-N -1 3 329.393 2.637 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCC2)C1 ZINC000533090943 478034716 /nfs/dbraw/zinc/03/47/16/478034716.db2.gz RAQVMNGHDOJJKA-LLVKDONJSA-N -1 3 340.832 2.592 20 30 EFEDHM C#Cc1cccc(NC([O-])=NOC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000495070497 478117382 /nfs/dbraw/zinc/11/73/82/478117382.db2.gz YJERRPZXPKKIQP-LBPRGKRZSA-N -1 3 333.388 2.634 20 30 EFEDHM C#Cc1cccc(NC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000495070497 478117385 /nfs/dbraw/zinc/11/73/85/478117385.db2.gz YJERRPZXPKKIQP-LBPRGKRZSA-N -1 3 333.388 2.634 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-n4cccn4)cc3)nc1-2 ZINC000429576806 478158755 /nfs/dbraw/zinc/15/87/55/478158755.db2.gz HQZCEWMEFMQBQX-HNNXBMFYSA-N -1 3 342.362 2.942 20 30 EFEDHM Cn1[n-]c(=NC(=O)N[C@@H](CCC#N)c2ccccc2)cc1OC(F)F ZINC000429660950 478169017 /nfs/dbraw/zinc/16/90/17/478169017.db2.gz OPGIQGQXOKXWGN-LBPRGKRZSA-N -1 3 349.341 2.610 20 30 EFEDHM CC(C)(C)OC(=O)N1CC(C=NNc2nc(=O)c3ccccc3[n-]2)C1 ZINC000495428978 478195982 /nfs/dbraw/zinc/19/59/82/478195982.db2.gz CWLNODLJRZALFA-UHFFFAOYSA-N -1 3 343.387 2.600 20 30 EFEDHM CN(CCOCc1ccc(C#N)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000451803016 478209548 /nfs/dbraw/zinc/20/95/48/478209548.db2.gz PULKONUNKYRXAS-UHFFFAOYSA-N -1 3 342.370 2.621 20 30 EFEDHM C=C(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000451805324 478210207 /nfs/dbraw/zinc/21/02/07/478210207.db2.gz XXXNLERFFXLLSU-LBPRGKRZSA-N -1 3 347.864 2.998 20 30 EFEDHM CC(C)[C@H](C#N)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000562297440 478229705 /nfs/dbraw/zinc/22/97/05/478229705.db2.gz WEYRZSRRENASOW-ZDUSSCGKSA-N -1 3 348.200 2.569 20 30 EFEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1F ZINC000562595728 478276121 /nfs/dbraw/zinc/27/61/21/478276121.db2.gz LGKLESAGZJCQGJ-CYBMUJFWSA-N -1 3 326.331 2.681 20 30 EFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)NCC(C)(C)CCC#N)c2=O ZINC000489866815 478280345 /nfs/dbraw/zinc/28/03/45/478280345.db2.gz SLPUWUQLCNHAFL-UHFFFAOYSA-N -1 3 345.374 2.736 20 30 EFEDHM CC(C)(CC#N)CS(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000590749282 478317202 /nfs/dbraw/zinc/31/72/02/478317202.db2.gz YAROLDIJELQAAX-UHFFFAOYSA-N -1 3 338.326 2.602 20 30 EFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NN[C@H]2CCSC2)s1 ZINC000495839526 478356849 /nfs/dbraw/zinc/35/68/49/478356849.db2.gz HBOHIWQRWUYKPL-VIFPVBQESA-N -1 3 328.463 2.919 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCC[C@@H]1Sc2ccccc2NC1=O ZINC000581202212 478376005 /nfs/dbraw/zinc/37/60/05/478376005.db2.gz KIJIYWZYIREOFF-LBPRGKRZSA-N -1 3 348.453 2.765 20 30 EFEDHM Cn1nnc2ccc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cc21 ZINC000521514225 478376960 /nfs/dbraw/zinc/37/69/60/478376960.db2.gz 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C=CCC1([N-]S(=O)(=O)c2ccsc2C(=O)OC)CCCC1 ZINC000594864969 478565837 /nfs/dbraw/zinc/56/58/37/478565837.db2.gz QVMYQLAYHNBMQD-UHFFFAOYSA-N -1 3 329.443 2.702 20 30 EFEDHM C#C[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(F)cc1 ZINC000491553744 478585148 /nfs/dbraw/zinc/58/51/48/478585148.db2.gz CHHNFARPCGKRIH-AWEZNQCLSA-N -1 3 329.327 2.653 20 30 EFEDHM CCc1cccc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1[O-] ZINC000597936446 478585520 /nfs/dbraw/zinc/58/55/20/478585520.db2.gz PTOILOAAFMGLSZ-UHFFFAOYSA-N -1 3 341.436 2.850 20 30 EFEDHM CCc1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)ccc1[O-] ZINC000597939972 478587118 /nfs/dbraw/zinc/58/71/18/478587118.db2.gz XXFZNSDRYQTBHQ-UHFFFAOYSA-N -1 3 341.436 2.850 20 30 EFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000491588368 478596697 /nfs/dbraw/zinc/59/66/97/478596697.db2.gz HUXKUAUDXVCTJT-NWDGAFQWSA-N -1 3 345.848 2.608 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CCNC(=O)OC(C)(C)C)C(F)F ZINC000496275282 478642731 /nfs/dbraw/zinc/64/27/31/478642731.db2.gz 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CC(C)(C#N)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158049942 527450864 /nfs/dbraw/zinc/45/08/64/527450864.db2.gz DBOIWFXSMBLZIP-CQSZACIVSA-N -1 3 335.835 2.676 20 30 EFEDHM C=CCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000161894303 527570834 /nfs/dbraw/zinc/57/08/34/527570834.db2.gz YGLYCIPVUNSRHS-UHFFFAOYSA-N -1 3 344.864 2.675 20 30 EFEDHM CCC[C@@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000155167174 527744592 /nfs/dbraw/zinc/74/45/92/527744592.db2.gz MHSALAWHYVNIJO-OAHLLOKOSA-N -1 3 329.444 2.835 20 30 EFEDHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000181850383 527928696 /nfs/dbraw/zinc/92/86/96/527928696.db2.gz HZQLUKLHYFUVIA-UHFFFAOYSA-N -1 3 330.837 2.695 20 30 EFEDHM CCN(CC)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000153824936 528197303 /nfs/dbraw/zinc/19/73/03/528197303.db2.gz MHTYPNCBDXKRMF-UHFFFAOYSA-N -1 3 344.440 2.596 20 30 EFEDHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000435423194 534964250 /nfs/dbraw/zinc/96/42/50/534964250.db2.gz PHMFMAIEKBCNJZ-UHFFFAOYSA-N -1 3 342.486 2.882 20 30 EFEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)s1 ZINC000329184350 535220689 /nfs/dbraw/zinc/22/06/89/535220689.db2.gz ACMBFHLXEXRACL-GRYCIOLGSA-N -1 3 343.474 2.998 20 30 EFEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)s1 ZINC000329184356 535221258 /nfs/dbraw/zinc/22/12/58/535221258.db2.gz ACMBFHLXEXRACL-IJLUTSLNSA-N -1 3 343.474 2.998 20 30 EFEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cn1 ZINC000350730718 535401066 /nfs/dbraw/zinc/40/10/66/535401066.db2.gz UZPMUIURDNUQJG-UHFFFAOYSA-N -1 3 337.788 2.806 20 30 EFEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)cn2C)n1 ZINC000354674743 535728148 /nfs/dbraw/zinc/72/81/48/535728148.db2.gz FLBOVHXLOUAHKH-SECBINFHSA-N -1 3 337.788 2.802 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1c(C)noc1C ZINC000435447521 535806979 /nfs/dbraw/zinc/80/69/79/535806979.db2.gz PWQMMDJGOLJCBI-LLVKDONJSA-N -1 3 325.415 2.654 20 30 EFEDHM CCc1cnccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000352094942 536088892 /nfs/dbraw/zinc/08/88/92/536088892.db2.gz KWTAQAMETZCHFG-UHFFFAOYSA-N -1 3 335.816 2.648 20 30 EFEDHM COc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1C#N ZINC000352020783 536613098 /nfs/dbraw/zinc/61/30/98/536613098.db2.gz KNTDIRPMGGBJLM-RQOWECAXSA-N -1 3 330.347 2.883 20 30 EFEDHM COCCCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000344755245 536885143 /nfs/dbraw/zinc/88/51/43/536885143.db2.gz REPIQJNMYZTUJM-INIZCTEOSA-N -1 3 348.424 2.988 20 30 EFEDHM C=CC[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000656759698 546914267 /nfs/dbraw/zinc/91/42/67/546914267.db2.gz JWLNDBNNRDSQGE-GDBMZVCRSA-N -1 3 330.428 2.678 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1ccn(-c2cccc(F)c2)n1 ZINC000675296779 548249084 /nfs/dbraw/zinc/24/90/84/548249084.db2.gz UFZSHEAPDVUMGY-UHFFFAOYSA-N -1 3 331.376 2.787 20 30 EFEDHM O=C1Nc2ccc(C(F)(F)F)cc2C1=N[N-]c1ccc(Cl)nn1 ZINC000754255378 575411422 /nfs/dbraw/zinc/41/14/22/575411422.db2.gz RBIQUZAYQRZPQC-UHFFFAOYSA-N -1 3 341.680 2.917 20 30 EFEDHM COc1cccc([O-])c1/C=N\[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000755032520 575532490 /nfs/dbraw/zinc/53/24/90/575532490.db2.gz VHEHDPKNHJIFSG-LKEIMFIWSA-N -1 3 346.333 2.903 20 30 EFEDHM CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cc(F)ccc2[O-])C1=O ZINC000755607562 575607398 /nfs/dbraw/zinc/60/73/98/575607398.db2.gz AKMVFIQMWUXEQO-SFHVURJKSA-N -1 3 341.342 2.723 20 30 EFEDHM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2ccc([O-])c(F)c2)C1=O ZINC000755607580 575607481 /nfs/dbraw/zinc/60/74/81/575607481.db2.gz AUBIRIZGVNPFLS-GOSISDBHSA-N -1 3 341.342 2.723 20 30 EFEDHM c1ccc(-c2noc(N=NCc3n[n-]nc3-c3ccccc3)n2)cc1 ZINC000755683774 575618315 /nfs/dbraw/zinc/61/83/15/575618315.db2.gz UFNOVXXJIMGMCY-UHFFFAOYSA-N -1 3 331.339 2.968 20 30 EFEDHM CN(C)c1ccc(NC(=S)NN=Cc2cc(F)ccc2[O-])cc1 ZINC000755697168 575620217 /nfs/dbraw/zinc/62/02/17/575620217.db2.gz UTMKOQNJEXCFOD-UHFFFAOYSA-N -1 3 332.404 2.918 20 30 EFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccccc1 ZINC000756973453 575806623 /nfs/dbraw/zinc/80/66/23/575806623.db2.gz BPIPAYWYXILPJK-CYBMUJFWSA-N -1 3 349.433 2.578 20 30 EFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000757360236 575838061 /nfs/dbraw/zinc/83/80/61/575838061.db2.gz CQNSXBJQBVZMFM-ZETCQYMHSA-N -1 3 338.212 2.633 20 30 EFEDHM CCOc1ccc(/C=N\Cc2ccc3c(c2)CCS3(=O)=O)c([O-])c1 ZINC000757530768 575841587 /nfs/dbraw/zinc/84/15/87/575841587.db2.gz XTGDJYKYHYQDFT-UNOMPAQXSA-N -1 3 345.420 2.740 20 30 EFEDHM [O-]c1c(O)cc(CN=Nc2cncc(Cl)n2)cc1Br ZINC000757587538 575843581 /nfs/dbraw/zinc/84/35/81/575843581.db2.gz YPRYVVHINYSKCC-UHFFFAOYSA-N -1 3 343.568 2.750 20 30 EFEDHM O=c1[n-]c(N=NCc2ccc(-n3ccnc3)cc2)nc2ccccc12 ZINC000757590159 575843831 /nfs/dbraw/zinc/84/38/31/575843831.db2.gz OMEYEEKDLWZGLV-UHFFFAOYSA-N -1 3 330.351 2.967 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CC12CCOCC2 ZINC000758024058 575858279 /nfs/dbraw/zinc/85/82/79/575858279.db2.gz CGNXOVYMGJFYMJ-AWEZNQCLSA-N -1 3 344.411 2.568 20 30 EFEDHM Cc1cc([O-])ccc1C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000758518524 575871399 /nfs/dbraw/zinc/87/13/99/575871399.db2.gz TUDSAARWDLRLSK-UHFFFAOYSA-N -1 3 335.319 2.979 20 30 EFEDHM COc1cc(Cl)cc(C=Nn2c(C)nc3ccccc3c2=O)c1[O-] ZINC000758868639 575879083 /nfs/dbraw/zinc/87/90/83/575879083.db2.gz JODXHFIBCKFKCV-UHFFFAOYSA-N -1 3 343.770 2.955 20 30 EFEDHM C=C[C@@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000758920144 575880162 /nfs/dbraw/zinc/88/01/62/575880162.db2.gz LCVWQBMFVLLHCF-ZDUSSCGKSA-N -1 3 343.404 2.908 20 30 EFEDHM COc1cc(F)cc(NN=Cc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000759212921 575887088 /nfs/dbraw/zinc/88/70/88/575887088.db2.gz PLLPWXXHKOQEPW-UHFFFAOYSA-N -1 3 335.291 2.903 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCOCC3)cc2)n1 ZINC000760151260 575984780 /nfs/dbraw/zinc/98/47/80/575984780.db2.gz KEFFPZCTXDDOMF-OAHLLOKOSA-N -1 3 327.409 2.778 20 30 EFEDHM CC(C)=CC(=O)NCc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000760346492 576008783 /nfs/dbraw/zinc/00/87/83/576008783.db2.gz QUROSFPKVMHIEG-MRXNPFEDSA-N -1 3 334.379 2.549 20 30 EFEDHM COc1ccc(/C=C\C(=O)c2cnn(C)c2)c(Br)c1[O-] ZINC000761008788 576100007 /nfs/dbraw/zinc/10/00/07/576100007.db2.gz ACTJROXHLHUGPK-HYXAFXHYSA-N -1 3 337.173 2.793 20 30 EFEDHM C#CCOCCOC(=O)c1[n-]nc(-c2ccccc2)c1Br ZINC000762723423 576327528 /nfs/dbraw/zinc/32/75/28/576327528.db2.gz OLODJKZKCWMCEI-UHFFFAOYSA-N -1 3 349.184 2.646 20 30 EFEDHM C#CCOCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000762723423 576327529 /nfs/dbraw/zinc/32/75/29/576327529.db2.gz OLODJKZKCWMCEI-UHFFFAOYSA-N -1 3 349.184 2.646 20 30 EFEDHM COC(=O)c1occc1/C=C/C(=O)c1cc(OC)c([O-])cc1OC ZINC000763104281 576361639 /nfs/dbraw/zinc/36/16/39/576361639.db2.gz CETDXZWHYIBUQT-SNAWJCMRSA-N -1 3 332.308 2.685 20 30 EFEDHM COc1ccc2oc(C=N[N-]S(=O)(=O)Cc3ccccc3)cc2c1 ZINC000763357090 576373964 /nfs/dbraw/zinc/37/39/64/576373964.db2.gz XANVQDABQFAMTH-UHFFFAOYSA-N -1 3 344.392 2.895 20 30 EFEDHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)CCO1 ZINC000763420269 576376697 /nfs/dbraw/zinc/37/66/97/576376697.db2.gz HCJCRSQFEBNBFR-NHYWBVRUSA-N -1 3 340.420 2.569 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nccn3cc(C)nc23)cc1 ZINC000763929590 576411806 /nfs/dbraw/zinc/41/18/06/576411806.db2.gz HQDXFWCUEFTLRR-HNNXBMFYSA-N -1 3 347.378 2.561 20 30 EFEDHM Cc1nc2scc(C3CC3)n2c1C=[NH+][N-]c1ncnc2[n-]cnc21 ZINC000764682050 576488569 /nfs/dbraw/zinc/48/85/69/576488569.db2.gz MQHSYMQLCVZDQE-UHFFFAOYSA-N -1 3 338.400 2.694 20 30 EFEDHM CC(=N[N-]S(C)(=O)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000764700570 576490159 /nfs/dbraw/zinc/49/01/59/576490159.db2.gz MNHNFDOGMWOYQZ-QMMMGPOBSA-N -1 3 325.217 2.686 20 30 EFEDHM COc1cc(C=NNCCc2ccccc2F)c([N+](=O)[O-])cc1[O-] ZINC000764723596 576494477 /nfs/dbraw/zinc/49/44/77/576494477.db2.gz QSQBNPCIIVTCPE-UHFFFAOYSA-N -1 3 333.319 2.614 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc3cc[nH]c3n2)cc1 ZINC000764755065 576498660 /nfs/dbraw/zinc/49/86/60/576498660.db2.gz CHUOWNZXSQMGLX-CQSZACIVSA-N -1 3 334.335 2.533 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc2cc[nH]c2n1 ZINC000764756832 576499057 /nfs/dbraw/zinc/49/90/57/576499057.db2.gz WEIIUBUGZSOOGQ-GFCCVEGCSA-N -1 3 334.335 2.533 20 30 EFEDHM C#CCCOC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000765440790 577042638 /nfs/dbraw/zinc/04/26/38/577042638.db2.gz PQUKQPZSZBJZON-SFHVURJKSA-N -1 3 337.375 2.820 20 30 EFEDHM Cc1nn2c(C=N[N-]c3ncccc3[N+](=O)[O-])c(C(C)C)nc2s1 ZINC000766712020 577179174 /nfs/dbraw/zinc/17/91/74/577179174.db2.gz MGMAUPJTRVHOSC-UHFFFAOYSA-N -1 3 345.388 2.972 20 30 EFEDHM COc1cc(C=NNC(=S)Nc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000767064941 577194860 /nfs/dbraw/zinc/19/48/60/577194860.db2.gz WPYNDDQFBVHWKO-UHFFFAOYSA-N -1 3 346.368 2.630 20 30 EFEDHM COc1cccc([C@@H](C#N)NC(=O)c2cccc(C)c2[O-])c1OC ZINC000768157110 577258445 /nfs/dbraw/zinc/25/84/45/577258445.db2.gz PHXOPGLGFLGYEL-CQSZACIVSA-N -1 3 326.352 2.713 20 30 EFEDHM COCCN(Cc1ccc(C#N)cc1)Cc1c([O-])cccc1OC ZINC000768619172 577289291 /nfs/dbraw/zinc/28/92/91/577289291.db2.gz KCZZPDQTIGXROB-UHFFFAOYSA-N -1 3 326.396 2.921 20 30 EFEDHM Cc1nc([N-]C(=O)[C@@H](F)c2ccccc2)n(-c2ccc(C#N)cc2)n1 ZINC000769473126 577365261 /nfs/dbraw/zinc/36/52/61/577365261.db2.gz APMLYKUNDZASQC-INIZCTEOSA-N -1 3 335.342 2.519 20 30 EFEDHM CCOC(=O)C1(C/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000769717818 577380939 /nfs/dbraw/zinc/38/09/39/577380939.db2.gz CMJMHEKRKQUASG-PXNMLYILSA-N -1 3 326.190 2.917 20 30 EFEDHM O=C1Nc2cc([O-])ccc2C1=NNCc1ccc(Br)cc1 ZINC000726740123 577383275 /nfs/dbraw/zinc/38/32/75/577383275.db2.gz SWABBFFLPJRVSD-UHFFFAOYSA-N -1 3 346.184 2.601 20 30 EFEDHM CCc1cccc(C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)c1[O-] ZINC000769769557 577383962 /nfs/dbraw/zinc/38/39/62/577383962.db2.gz VJJRVHZCZVIXEF-HNNXBMFYSA-N -1 3 340.379 2.966 20 30 EFEDHM COc1ccc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)cc1 ZINC000769812730 577387252 /nfs/dbraw/zinc/38/72/52/577387252.db2.gz PDEHIRCXEJYKPD-UHFFFAOYSA-N -1 3 340.387 2.742 20 30 EFEDHM COc1ccc(C=NNCC(F)(F)F)c(Br)c1[O-] ZINC000769816316 577387371 /nfs/dbraw/zinc/38/73/71/577387371.db2.gz ZAZIRCNRPGMYQH-UHFFFAOYSA-N -1 3 327.100 2.649 20 30 EFEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1cccc(OC(F)F)c1 ZINC000769817457 577387643 /nfs/dbraw/zinc/38/76/43/577387643.db2.gz MPYVCCOLVXZOTF-UHFFFAOYSA-N -1 3 348.313 2.506 20 30 EFEDHM CC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1ccc2ccccc2c1[O-] ZINC000769819635 577387829 /nfs/dbraw/zinc/38/78/29/577387829.db2.gz OSZQQMLUTIRTDZ-UHFFFAOYSA-N -1 3 348.366 2.764 20 30 EFEDHM CC(C)COc1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000769819458 577387858 /nfs/dbraw/zinc/38/78/58/577387858.db2.gz RYYNSKMBUKOMBL-UHFFFAOYSA-N -1 3 340.387 2.550 20 30 EFEDHM COc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1F ZINC000770062803 577400121 /nfs/dbraw/zinc/40/01/21/577400121.db2.gz CNVZZXAVOFGLME-UHFFFAOYSA-N -1 3 343.358 2.995 20 30 EFEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccn1 ZINC000739962036 577404888 /nfs/dbraw/zinc/40/48/88/577404888.db2.gz FATKLTAAHLCSJN-MRXNPFEDSA-N -1 3 333.388 2.768 20 30 EFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000770378830 577413848 /nfs/dbraw/zinc/41/38/48/577413848.db2.gz KIQBLURLSPTDKY-SECBINFHSA-N -1 3 336.638 2.793 20 30 EFEDHM CCCCCCCCOC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000770466370 577420102 /nfs/dbraw/zinc/42/01/02/577420102.db2.gz YWZZBYVDKPKCAW-UHFFFAOYSA-N -1 3 328.434 2.507 20 30 EFEDHM C#CCOC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000727039249 577431158 /nfs/dbraw/zinc/43/11/58/577431158.db2.gz BCYVFJPYMFLVHW-UHFFFAOYSA-N -1 3 341.454 2.539 20 30 EFEDHM C#CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000727041205 577431292 /nfs/dbraw/zinc/43/12/92/577431292.db2.gz IJQNBAMYBAPLEO-UHFFFAOYSA-N -1 3 347.367 2.807 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770569241 581111522 /nfs/dbraw/zinc/11/15/22/581111522.db2.gz TWRDKOPVRAYQBN-CUUNBHRASA-N -1 3 340.217 2.912 20 30 EFEDHM O=C1C[N-]C(=O)N1N=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000770618614 581117526 /nfs/dbraw/zinc/11/75/26/581117526.db2.gz QXTFWWLGVQLYAW-UHFFFAOYSA-N -1 3 339.195 2.610 20 30 EFEDHM CN1CCN(c2ccc(/C=C/C(=O)c3ccc(O)cc3[O-])cc2)CC1 ZINC000771526149 581220581 /nfs/dbraw/zinc/22/05/81/581220581.db2.gz UNOHPUVUKMOSQD-RUDMXATFSA-N -1 3 338.407 2.746 20 30 EFEDHM CC(=NNc1ccccc1S(N)(=O)=O)c1ccc([O-])c(Cl)c1 ZINC000773124877 581399177 /nfs/dbraw/zinc/39/91/77/581399177.db2.gz HTZAJUNWNRTGTI-UHFFFAOYSA-N -1 3 339.804 2.529 20 30 EFEDHM CCOc1ccc2c(c1)[C@H](/N=C/c1c([O-])c(C)ncc1CO)CCO2 ZINC000773907450 581473174 /nfs/dbraw/zinc/47/31/74/581473174.db2.gz PYUIYARZDCAJNP-LYUVJKPTSA-N -1 3 342.395 2.929 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2nc3cccc(Cl)c3n2C)c1[O-] ZINC000773909064 581473276 /nfs/dbraw/zinc/47/32/76/581473276.db2.gz ZUJCCAADZGRNJQ-FBCYGCLPSA-N -1 3 344.802 2.747 20 30 EFEDHM COC(=O)c1coc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000774136705 581485033 /nfs/dbraw/zinc/48/50/33/581485033.db2.gz RTPBZXBTNYQCRL-SNAWJCMRSA-N -1 3 332.308 2.685 20 30 EFEDHM COc1ccc(NN=C2C(=O)[N-]c3c2cc([N+](=O)[O-])cc3F)cc1 ZINC000774392171 581490771 /nfs/dbraw/zinc/49/07/71/581490771.db2.gz CHKVBYXXMHYMLT-UHFFFAOYSA-N -1 3 330.275 2.511 20 30 EFEDHM COc1ccc(C=NOC2CCOCC2)c(Br)c1[O-] ZINC000774433636 581491433 /nfs/dbraw/zinc/49/14/33/581491433.db2.gz QXNDYKXQXNMLCT-UHFFFAOYSA-N -1 3 330.178 2.693 20 30 EFEDHM CC(C)(CNN=Cc1cc(-c2ccccc2)ccc1[O-])S(C)(=O)=O ZINC000774486599 581492595 /nfs/dbraw/zinc/49/25/95/581492595.db2.gz DZKHMDMJAJWSTN-UHFFFAOYSA-N -1 3 346.452 2.806 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C[C@H]1CCOC1 ZINC000774750581 581499859 /nfs/dbraw/zinc/49/98/59/581499859.db2.gz QVNSNDZCQCHWQD-BXUZGUMPSA-N -1 3 332.400 2.567 20 30 EFEDHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000774894170 581503355 /nfs/dbraw/zinc/50/33/55/581503355.db2.gz JCGWNWQHSIOBFK-GJZGRUSLSA-N -1 3 340.420 2.569 20 30 EFEDHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000774894174 581503371 /nfs/dbraw/zinc/50/33/71/581503371.db2.gz JCGWNWQHSIOBFK-LSDHHAIUSA-N -1 3 340.420 2.569 20 30 EFEDHM Cc1cccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737391624 598921609 /nfs/dbraw/zinc/92/16/09/598921609.db2.gz GUVRDXCIGSQSNT-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1cccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737391624 598921610 /nfs/dbraw/zinc/92/16/10/598921610.db2.gz GUVRDXCIGSQSNT-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM CCCc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736497485 598927911 /nfs/dbraw/zinc/92/79/11/598927911.db2.gz PZOKYDXOZXPAHC-UHFFFAOYSA-N -1 3 332.367 2.943 20 30 EFEDHM CCCc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736497485 598927912 /nfs/dbraw/zinc/92/79/12/598927912.db2.gz PZOKYDXOZXPAHC-UHFFFAOYSA-N -1 3 332.367 2.943 20 30 EFEDHM Fc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c2ncccc12 ZINC000822767043 607254709 /nfs/dbraw/zinc/25/47/09/607254709.db2.gz ULZMJNUDNJVTPP-UHFFFAOYSA-N -1 3 347.357 2.678 20 30 EFEDHM Fc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000822767043 607254710 /nfs/dbraw/zinc/25/47/10/607254710.db2.gz ULZMJNUDNJVTPP-UHFFFAOYSA-N -1 3 347.357 2.678 20 30 EFEDHM FC(F)Oc1ccccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822737398 607255555 /nfs/dbraw/zinc/25/55/55/607255555.db2.gz UAEYYJLKZUZASY-UHFFFAOYSA-N -1 3 344.325 2.592 20 30 EFEDHM FC(F)Oc1ccccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822737398 607255556 /nfs/dbraw/zinc/25/55/56/607255556.db2.gz UAEYYJLKZUZASY-UHFFFAOYSA-N -1 3 344.325 2.592 20 30 EFEDHM N#Cc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822837325 599114020 /nfs/dbraw/zinc/11/40/20/599114020.db2.gz JZTZGQUTGHDNDS-DHDCSXOGSA-N -1 3 327.347 2.951 20 30 EFEDHM N#Cc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822837325 599114022 /nfs/dbraw/zinc/11/40/22/599114022.db2.gz JZTZGQUTGHDNDS-DHDCSXOGSA-N -1 3 327.347 2.951 20 30 EFEDHM C=CCOCCCC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819751721 599141425 /nfs/dbraw/zinc/14/14/25/599141425.db2.gz ZXJNCNLEUODUFP-UHFFFAOYSA-N -1 3 343.431 2.588 20 30 EFEDHM C=CCOCCCC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819751721 599141428 /nfs/dbraw/zinc/14/14/28/599141428.db2.gz ZXJNCNLEUODUFP-UHFFFAOYSA-N -1 3 343.431 2.588 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737080857 599153862 /nfs/dbraw/zinc/15/38/62/599153862.db2.gz HYJVJHAGEUVDGO-WMZJFQQLSA-N -1 3 349.394 2.837 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737080857 599153864 /nfs/dbraw/zinc/15/38/64/599153864.db2.gz HYJVJHAGEUVDGO-WMZJFQQLSA-N -1 3 349.394 2.837 20 30 EFEDHM COc1ccc(C=C2Cc3cc(F)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000737084821 599155994 /nfs/dbraw/zinc/15/59/94/599155994.db2.gz WLSDZCXXVZYSCY-WUXMJOGZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc(C=C2Cc3cc(F)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000737084821 599155995 /nfs/dbraw/zinc/15/59/95/599155995.db2.gz WLSDZCXXVZYSCY-WUXMJOGZSA-N -1 3 336.326 2.837 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cnc3ccsc3c2)cc1-c1nnn[n-]1 ZINC000737718149 599192906 /nfs/dbraw/zinc/19/29/06/599192906.db2.gz FTCDVYIOUGUOCC-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cnc3ccsc3c2)cc1-c1nn[n-]n1 ZINC000737718149 599192909 /nfs/dbraw/zinc/19/29/09/599192909.db2.gz FTCDVYIOUGUOCC-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819709496 599251671 /nfs/dbraw/zinc/25/16/71/599251671.db2.gz GYURKDRVTVFIMK-LBPRGKRZSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819709496 599251674 /nfs/dbraw/zinc/25/16/74/599251674.db2.gz GYURKDRVTVFIMK-LBPRGKRZSA-N -1 3 332.367 2.731 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822224847 599273384 /nfs/dbraw/zinc/27/33/84/599273384.db2.gz CLGPXMCNZYIHKV-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822224847 599273387 /nfs/dbraw/zinc/27/33/87/599273387.db2.gz CLGPXMCNZYIHKV-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C#N)c1 ZINC000736489314 599275519 /nfs/dbraw/zinc/27/55/19/599275519.db2.gz XSEHXSISXVMSJH-UHFFFAOYSA-N -1 3 347.382 2.813 20 30 EFEDHM Cn1cc(CNCc2ccc(C(=O)[O-])cc2)c(-c2ccc(C#N)cc2)n1 ZINC000821298162 598204553 /nfs/dbraw/zinc/20/45/53/598204553.db2.gz MOHHVECSRAMSSF-UHFFFAOYSA-N -1 3 346.390 2.947 20 30 EFEDHM Cn1cc(CNCc2cccc(C(=O)[O-])c2)c(-c2ccc(C#N)cc2)n1 ZINC000821298915 598205348 /nfs/dbraw/zinc/20/53/48/598205348.db2.gz ZDOLWZBKIZTJPQ-UHFFFAOYSA-N -1 3 346.390 2.947 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737730515 598587895 /nfs/dbraw/zinc/58/78/95/598587895.db2.gz MOOVJJRGNCWFQI-YVMONPNESA-N -1 3 334.314 2.529 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737730515 598587896 /nfs/dbraw/zinc/58/78/96/598587896.db2.gz MOOVJJRGNCWFQI-YVMONPNESA-N -1 3 334.314 2.529 20 30 EFEDHM CCOc1ccc(C=NOCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736644471 598674422 /nfs/dbraw/zinc/67/44/22/598674422.db2.gz ZIIZIYWEALWYMM-UHFFFAOYSA-N -1 3 341.346 2.955 20 30 EFEDHM CCOc1ccc(C=NOCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000736644471 598674423 /nfs/dbraw/zinc/67/44/23/598674423.db2.gz ZIIZIYWEALWYMM-UHFFFAOYSA-N -1 3 341.346 2.955 20 30 EFEDHM N#Cc1cc(F)ccc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737706772 598723213 /nfs/dbraw/zinc/72/32/13/598723213.db2.gz ZGTROIBHKYNCSI-UHFFFAOYSA-N -1 3 345.341 2.789 20 30 EFEDHM N#Cc1cc(F)ccc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737706772 598723214 /nfs/dbraw/zinc/72/32/14/598723214.db2.gz ZGTROIBHKYNCSI-UHFFFAOYSA-N -1 3 345.341 2.789 20 30 EFEDHM C#CCCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735374550 598733126 /nfs/dbraw/zinc/73/31/26/598733126.db2.gz DZDQERINEKAVAW-UHFFFAOYSA-N -1 3 349.350 2.624 20 30 EFEDHM C#CCCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735374550 598733127 /nfs/dbraw/zinc/73/31/27/598733127.db2.gz DZDQERINEKAVAW-UHFFFAOYSA-N -1 3 349.350 2.624 20 30 EFEDHM C#Cc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000735387972 598735810 /nfs/dbraw/zinc/73/58/10/598735810.db2.gz MUSAAEIRADXWSS-UHFFFAOYSA-N -1 3 346.394 2.546 20 30 EFEDHM C#Cc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735387972 598735812 /nfs/dbraw/zinc/73/58/12/598735812.db2.gz MUSAAEIRADXWSS-UHFFFAOYSA-N -1 3 346.394 2.546 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735803726 598752327 /nfs/dbraw/zinc/75/23/27/598752327.db2.gz JCHADOXALGKLSS-CMDGGOBGSA-N -1 3 338.415 2.668 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735803726 598752328 /nfs/dbraw/zinc/75/23/28/598752328.db2.gz JCHADOXALGKLSS-CMDGGOBGSA-N -1 3 338.415 2.668 20 30 EFEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CCCNC(=O)[O-] ZINC000737267139 599798389 /nfs/dbraw/zinc/79/83/89/599798389.db2.gz MLLAQCJDQONCHW-CQSZACIVSA-N -1 3 345.399 2.507 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736095459 600353159 /nfs/dbraw/zinc/35/31/59/600353159.db2.gz YHOIICMZNPQLDJ-UHFFFAOYSA-N -1 3 346.431 2.616 20 30 EFEDHM N#Cc1ccc([C@@H](NCc2ccccc2Cn2cccn2)C(=O)[O-])cc1 ZINC000739107508 600592625 /nfs/dbraw/zinc/59/26/25/600592625.db2.gz RHWBZGCWVGTULS-LJQANCHMSA-N -1 3 346.390 2.719 20 30 EFEDHM CCC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736849942 600594568 /nfs/dbraw/zinc/59/45/68/600594568.db2.gz ZCIFFDNCQOWBGW-SFHVURJKSA-N -1 3 337.379 2.822 20 30 EFEDHM COCc1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000737830290 600598606 /nfs/dbraw/zinc/59/86/06/600598606.db2.gz XEDGVQIXYRYSHH-QGZVFWFLSA-N -1 3 328.343 2.759 20 30 EFEDHM CN(C)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821589570 607457582 /nfs/dbraw/zinc/45/75/82/607457582.db2.gz UCJVCIYGQDDPNC-YFHOEESVSA-N -1 3 337.358 2.968 20 30 EFEDHM CN(C)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821589570 607457583 /nfs/dbraw/zinc/45/75/83/607457583.db2.gz UCJVCIYGQDDPNC-YFHOEESVSA-N -1 3 337.358 2.968 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CNCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000736200212 600639769 /nfs/dbraw/zinc/63/97/69/600639769.db2.gz AIWGEJDNUIDNJI-AWEZNQCLSA-N -1 3 340.379 2.731 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1c[nH]c2ncccc12 ZINC000822923342 607460789 /nfs/dbraw/zinc/46/07/89/607460789.db2.gz QDWHKNKLXLEGSC-AATRIKPKSA-N -1 3 334.314 2.778 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2ncccc12 ZINC000822923342 607460791 /nfs/dbraw/zinc/46/07/91/607460791.db2.gz QDWHKNKLXLEGSC-AATRIKPKSA-N -1 3 334.314 2.778 20 30 EFEDHM O=C1c2ccc([O-])cc2CCC1=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823504733 607460855 /nfs/dbraw/zinc/46/08/55/607460855.db2.gz TWNSULDSHBDWQK-GHXNOFRVSA-N -1 3 336.326 2.924 20 30 EFEDHM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCCSCC#N ZINC000828493357 600793713 /nfs/dbraw/zinc/79/37/13/600793713.db2.gz CEERVUIXJVMUFA-CQSZACIVSA-N -1 3 333.457 2.542 20 30 EFEDHM CC(C)CN(CCC(=O)[O-])Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000826876258 600820181 /nfs/dbraw/zinc/82/01/81/600820181.db2.gz ZWJQNCQVBULZFP-UHFFFAOYSA-N -1 3 328.372 2.541 20 30 EFEDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000826054925 601205236 /nfs/dbraw/zinc/20/52/36/601205236.db2.gz SKJVSVFCHXMYSC-SCLBCKFNSA-N -1 3 337.379 2.548 20 30 EFEDHM CCOC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829881556 601301613 /nfs/dbraw/zinc/30/16/13/601301613.db2.gz MOCLSMWOZHBDBC-QGZVFWFLSA-N -1 3 338.363 2.650 20 30 EFEDHM COCc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1F ZINC000831812940 601304061 /nfs/dbraw/zinc/30/40/61/601304061.db2.gz GXFVCLBCNYRFEN-QGZVFWFLSA-N -1 3 328.343 2.759 20 30 EFEDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1O ZINC000832311256 601421068 /nfs/dbraw/zinc/42/10/68/601421068.db2.gz XPVTXZLXLGICSO-KRWDZBQOSA-N -1 3 326.352 2.530 20 30 EFEDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000826053141 601656476 /nfs/dbraw/zinc/65/64/76/601656476.db2.gz IPESCDXBWUOOKQ-FZKQIMNGSA-N -1 3 337.379 2.548 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000825642037 602376776 /nfs/dbraw/zinc/37/67/76/602376776.db2.gz DMZMBNKOVYLAFM-UHFFFAOYSA-N -1 3 335.379 2.686 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCCC(F)(F)F ZINC000826383561 607710619 /nfs/dbraw/zinc/71/06/19/607710619.db2.gz GZBDHLDDAPDKQY-UHFFFAOYSA-N -1 3 343.338 2.540 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCCC(F)(F)F ZINC000826383561 607710622 /nfs/dbraw/zinc/71/06/22/607710622.db2.gz GZBDHLDDAPDKQY-UHFFFAOYSA-N -1 3 343.338 2.540 20 30 EFEDHM C[C@]1(NCc2nnc(-c3ccc(C#N)cc3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833570322 605067743 /nfs/dbraw/zinc/06/77/43/605067743.db2.gz RBILHTNLELDMOV-KDOFPFPSSA-N -1 3 340.383 2.731 20 30 EFEDHM C(=NNCc1cccc2cccnc21)c1cc(-c2nnn[n-]2)cs1 ZINC000819718813 606204877 /nfs/dbraw/zinc/20/48/77/606204877.db2.gz RBAOKGBXHBYZJP-UHFFFAOYSA-N -1 3 335.396 2.600 20 30 EFEDHM C(=NNCc1cccc2cccnc21)c1cc(-c2nn[n-]n2)cs1 ZINC000819718813 606204879 /nfs/dbraw/zinc/20/48/79/606204879.db2.gz RBAOKGBXHBYZJP-UHFFFAOYSA-N -1 3 335.396 2.600 20 30 EFEDHM N#Cc1ccc(CNc2cc(-c3nnn[n-]3)c3ccccc3n2)cc1 ZINC000822826421 606221966 /nfs/dbraw/zinc/22/19/66/606221966.db2.gz XHFSLAAWQDYLMC-UHFFFAOYSA-N -1 3 327.351 2.899 20 30 EFEDHM N#Cc1ccc(CNc2cc(-c3nn[n-]n3)c3ccccc3n2)cc1 ZINC000822826421 606221967 /nfs/dbraw/zinc/22/19/67/606221967.db2.gz XHFSLAAWQDYLMC-UHFFFAOYSA-N -1 3 327.351 2.899 20 30 EFEDHM Cc1cccc2c1ncc(C#N)c2NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822336094 606223602 /nfs/dbraw/zinc/22/36/02/606223602.db2.gz OIRZRBCMSLCRTK-UHFFFAOYSA-N -1 3 341.378 2.629 20 30 EFEDHM Cc1cccc2c1ncc(C#N)c2NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822336094 606223604 /nfs/dbraw/zinc/22/36/04/606223604.db2.gz OIRZRBCMSLCRTK-UHFFFAOYSA-N -1 3 341.378 2.629 20 30 EFEDHM C=CCCCC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000819735061 606246034 /nfs/dbraw/zinc/24/60/34/606246034.db2.gz ZYJXKSRLKARGSR-UHFFFAOYSA-N -1 3 331.445 2.572 20 30 EFEDHM C=CCCCC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000819735061 606246036 /nfs/dbraw/zinc/24/60/36/606246036.db2.gz ZYJXKSRLKARGSR-UHFFFAOYSA-N -1 3 331.445 2.572 20 30 EFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)OCCO2 ZINC000822922200 606302925 /nfs/dbraw/zinc/30/29/25/606302925.db2.gz DFSMTOYCHWAVOD-IHWYPQMZSA-N -1 3 340.364 2.596 20 30 EFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)OCCO2 ZINC000822922200 606302927 /nfs/dbraw/zinc/30/29/27/606302927.db2.gz DFSMTOYCHWAVOD-IHWYPQMZSA-N -1 3 340.364 2.596 20 30 EFEDHM C=C(C)CN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000819722685 606334988 /nfs/dbraw/zinc/33/49/88/606334988.db2.gz OGMRAQPMMYNGBZ-ONNFQVAWSA-N -1 3 349.466 2.706 20 30 EFEDHM C=C(C)CN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000819722685 606334990 /nfs/dbraw/zinc/33/49/90/606334990.db2.gz OGMRAQPMMYNGBZ-ONNFQVAWSA-N -1 3 349.466 2.706 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(F)cc1F ZINC000822177105 606372789 /nfs/dbraw/zinc/37/27/89/606372789.db2.gz UNAMBDLPWDWANE-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(F)cc1F ZINC000822177105 606372790 /nfs/dbraw/zinc/37/27/90/606372790.db2.gz UNAMBDLPWDWANE-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000821877881 606390297 /nfs/dbraw/zinc/39/02/97/606390297.db2.gz YFOZPTUJCDCMJQ-VQHVLOKHSA-N -1 3 340.364 2.596 20 30 EFEDHM Cc1cccc2ncc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)n21 ZINC000822341094 606391249 /nfs/dbraw/zinc/39/12/49/606391249.db2.gz UMLDKMJHIMNVPG-HJWRWDBZSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cccc2ncc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)n21 ZINC000822341094 606391252 /nfs/dbraw/zinc/39/12/52/606391252.db2.gz UMLDKMJHIMNVPG-HJWRWDBZSA-N -1 3 330.351 2.719 20 30 EFEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823396478 606436390 /nfs/dbraw/zinc/43/63/90/606436390.db2.gz KCTNGDCXQKUNDT-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823396478 606436392 /nfs/dbraw/zinc/43/63/92/606436392.db2.gz KCTNGDCXQKUNDT-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM N#Cc1cccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822837864 606589994 /nfs/dbraw/zinc/58/99/94/606589994.db2.gz WFTZWTVMHLWEBP-UHFFFAOYSA-N -1 3 343.293 2.919 20 30 EFEDHM N#Cc1cccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822837864 606589996 /nfs/dbraw/zinc/58/99/96/606589996.db2.gz WFTZWTVMHLWEBP-UHFFFAOYSA-N -1 3 343.293 2.919 20 30 EFEDHM N#Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822837135 606597628 /nfs/dbraw/zinc/59/76/28/606597628.db2.gz GIZFZJXFUYBHQW-UHFFFAOYSA-N -1 3 342.309 2.952 20 30 EFEDHM N#Cc1cccc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822837135 606597629 /nfs/dbraw/zinc/59/76/29/606597629.db2.gz GIZFZJXFUYBHQW-UHFFFAOYSA-N -1 3 342.309 2.952 20 30 EFEDHM C=C(C)COCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819722268 606791079 /nfs/dbraw/zinc/79/10/79/606791079.db2.gz FRMPUQWAPSBZPA-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=C(C)COCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819722268 606791080 /nfs/dbraw/zinc/79/10/80/606791080.db2.gz FRMPUQWAPSBZPA-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM COc1cccc2c1CC(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)C2=O ZINC000821786160 607111254 /nfs/dbraw/zinc/11/12/54/607111254.db2.gz ATMRLIGNNZPUEL-WQLSENKSSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cccc2c1CC(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)C2=O ZINC000821786160 607111256 /nfs/dbraw/zinc/11/12/56/607111256.db2.gz ATMRLIGNNZPUEL-WQLSENKSSA-N -1 3 348.362 2.706 20 30 EFEDHM Cc1ccccc1[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000822345157 607160210 /nfs/dbraw/zinc/16/02/10/607160210.db2.gz GLRRABQJHPJTHG-SNVBAGLBSA-N -1 3 337.412 2.877 20 30 EFEDHM Cc1ccccc1[C@@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000822345157 607160211 /nfs/dbraw/zinc/16/02/11/607160211.db2.gz GLRRABQJHPJTHG-SNVBAGLBSA-N -1 3 337.412 2.877 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822830156 607243899 /nfs/dbraw/zinc/24/38/99/607243899.db2.gz VZBSHAKHGVUVIU-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822830156 607243900 /nfs/dbraw/zinc/24/39/00/607243900.db2.gz VZBSHAKHGVUVIU-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)ccc1F ZINC000826176989 608230841 /nfs/dbraw/zinc/23/08/41/608230841.db2.gz MWIXNNNNRBVZJK-HWKANZROSA-N -1 3 330.344 2.972 20 30 EFEDHM COc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)ccc1F ZINC000826176989 608230843 /nfs/dbraw/zinc/23/08/43/608230843.db2.gz MWIXNNNNRBVZJK-HWKANZROSA-N -1 3 330.344 2.972 20 30 EFEDHM Cc1cc(C)c(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263209 608342659 /nfs/dbraw/zinc/34/26/59/608342659.db2.gz PROSGCGTOBJVTM-UHFFFAOYSA-N -1 3 346.394 2.845 20 30 EFEDHM Cc1cc(C)c(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263209 608342661 /nfs/dbraw/zinc/34/26/61/608342661.db2.gz PROSGCGTOBJVTM-UHFFFAOYSA-N -1 3 346.394 2.845 20 30 EFEDHM Cc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1F ZINC000826286047 608535882 /nfs/dbraw/zinc/53/58/82/608535882.db2.gz QUPDOYVWWIMNSC-UHFFFAOYSA-N -1 3 331.742 2.809 20 30 EFEDHM Cc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1F ZINC000826286047 608535883 /nfs/dbraw/zinc/53/58/83/608535883.db2.gz QUPDOYVWWIMNSC-UHFFFAOYSA-N -1 3 331.742 2.809 20 30 EFEDHM Cc1ccc2c(c1)CCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826294621 608541011 /nfs/dbraw/zinc/54/10/11/608541011.db2.gz XIABNAQPYXVFNG-UHFFFAOYSA-N -1 3 339.790 2.986 20 30 EFEDHM Cc1ccc2c(c1)CCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826294621 608541013 /nfs/dbraw/zinc/54/10/13/608541013.db2.gz XIABNAQPYXVFNG-UHFFFAOYSA-N -1 3 339.790 2.986 20 30 EFEDHM C=CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1ccccc1 ZINC000823919807 608561169 /nfs/dbraw/zinc/56/11/69/608561169.db2.gz RRAFRRKHEDWNOT-UHFFFAOYSA-N -1 3 345.410 2.703 20 30 EFEDHM COCC#CCOc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826146791 608584499 /nfs/dbraw/zinc/58/44/99/608584499.db2.gz DESOCWXBFMPDLA-UHFFFAOYSA-N -1 3 336.351 2.688 20 30 EFEDHM COCC#CCOc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826146791 608584500 /nfs/dbraw/zinc/58/45/00/608584500.db2.gz DESOCWXBFMPDLA-UHFFFAOYSA-N -1 3 336.351 2.688 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)o1 ZINC000826380051 608749583 /nfs/dbraw/zinc/74/95/83/608749583.db2.gz LERLUNHXXZTHGS-HZPDHXFCSA-N -1 3 334.383 2.731 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)o1 ZINC000826380051 608749585 /nfs/dbraw/zinc/74/95/85/608749585.db2.gz LERLUNHXXZTHGS-HZPDHXFCSA-N -1 3 334.383 2.731 20 30 EFEDHM CC(=NNCCCc1ccccc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823954077 609159334 /nfs/dbraw/zinc/15/93/34/609159334.db2.gz YJNFPJJOLXIBOL-UHFFFAOYSA-N -1 3 338.390 2.952 20 30 EFEDHM CC(=NNCCCc1ccccc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823954077 609159335 /nfs/dbraw/zinc/15/93/35/609159335.db2.gz YJNFPJJOLXIBOL-UHFFFAOYSA-N -1 3 338.390 2.952 20 30 EFEDHM N#Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826384757 609270517 /nfs/dbraw/zinc/27/05/17/609270517.db2.gz IHEGXZCMXRVVCN-XQRVVYSFSA-N -1 3 325.328 2.835 20 30 EFEDHM N#Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826384757 609270518 /nfs/dbraw/zinc/27/05/18/609270518.db2.gz IHEGXZCMXRVVCN-XQRVVYSFSA-N -1 3 325.328 2.835 20 30 EFEDHM CC(N=Nc1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823961916 609277260 /nfs/dbraw/zinc/27/72/60/609277260.db2.gz CCTWHAZAVRWGOY-UHFFFAOYSA-N -1 3 348.345 2.785 20 30 EFEDHM Cc1nnc(SCc2cccc(-c3nnn[n-]3)c2F)c(C#N)c1C ZINC000826337492 609306609 /nfs/dbraw/zinc/30/66/09/609306609.db2.gz QEHDWPSEIYBFNX-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nnc(SCc2cccc(-c3nn[n-]n3)c2F)c(C#N)c1C ZINC000826337492 609306610 /nfs/dbraw/zinc/30/66/10/609306610.db2.gz QEHDWPSEIYBFNX-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM C#CCOc1ccc(F)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000823856397 609477570 /nfs/dbraw/zinc/47/75/70/609477570.db2.gz QROINNHIXYZENZ-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM C#CCOc1ccc(F)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000823856397 609477571 /nfs/dbraw/zinc/47/75/71/609477571.db2.gz QROINNHIXYZENZ-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826210120 609506326 /nfs/dbraw/zinc/50/63/26/609506326.db2.gz FGNKBBXBKBELPL-ZZXKWVIFSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826210120 609506327 /nfs/dbraw/zinc/50/63/27/609506327.db2.gz FGNKBBXBKBELPL-ZZXKWVIFSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826210637 609507178 /nfs/dbraw/zinc/50/71/78/609507178.db2.gz YXZMBAGKCPGAGU-GQCTYLIASA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826210637 609507179 /nfs/dbraw/zinc/50/71/79/609507179.db2.gz YXZMBAGKCPGAGU-GQCTYLIASA-N -1 3 340.314 2.616 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(SC[C@H]2CCc3ccccc32)nc1N ZINC000826383466 609513887 /nfs/dbraw/zinc/51/38/87/609513887.db2.gz BNCVKSTTZXTAGY-LLVKDONJSA-N -1 3 349.423 2.538 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(SC[C@H]2CCc3ccccc32)nc1N ZINC000826383466 609513888 /nfs/dbraw/zinc/51/38/88/609513888.db2.gz BNCVKSTTZXTAGY-LLVKDONJSA-N -1 3 349.423 2.538 20 30 EFEDHM CC(C)(C)OC(=O)[C@@H](C([O-])=C(C#N)c1ccncn1)C1CCCC1 ZINC000850948663 1250704985 /nfs/dbraw/zinc/70/49/85/1250704985.db2.gz VPUWVBMFOFQWGU-UKRRQHHQSA-N -1 3 329.400 2.801 20 30 EFEDHM C=C1CC(C)(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)C1 ZINC000995799741 1254709473 /nfs/dbraw/zinc/70/94/73/1254709473.db2.gz JLWZSHDRZZYXDZ-KBMXLJTQSA-N -1 3 340.423 2.610 20 30 EFEDHM C[C@@H](Nc1ccc(C#N)cn1)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065656760 1265913464 /nfs/dbraw/zinc/91/34/64/1265913464.db2.gz JXXSDOCASBAIQF-UKRRQHHQSA-N -1 3 336.395 2.622 20 30 EFEDHM C[C@@H](Nc1ccc(C#N)nc1)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065657999 1265914621 /nfs/dbraw/zinc/91/46/21/1265914621.db2.gz YLYSOGODZVLMGI-KGLIPLIRSA-N -1 3 336.395 2.622 20 30 EFEDHM C[C@H](CNc1nc(C#N)c(Cl)s1)NC(=O)c1ccccc1[O-] ZINC001107627108 1256324809 /nfs/dbraw/zinc/32/48/09/1256324809.db2.gz OVQCKYYRZNCOIA-MRVPVSSYSA-N -1 3 336.804 2.604 20 30 EFEDHM C#CCN1CC[C@]2(CCCN(Cc3cc(F)c([O-])c(F)c3)CC2)C1=O ZINC001272782794 1258013653 /nfs/dbraw/zinc/01/36/53/1258013653.db2.gz NPMDXMHOOSUTCK-LJQANCHMSA-N -1 3 348.393 2.508 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000131614009 1260374038 /nfs/dbraw/zinc/37/40/38/1260374038.db2.gz INIPMTZODAUDBG-OAHLLOKOSA-N -1 3 339.307 2.565 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000131613771 1260374869 /nfs/dbraw/zinc/37/48/69/1260374869.db2.gz INIPMTZODAUDBG-HNNXBMFYSA-N -1 3 339.307 2.565 20 30 EFEDHM C=C(C)CCC(=O)NCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089963649 1261353287 /nfs/dbraw/zinc/35/32/87/1261353287.db2.gz FYLWJIPOCUMUIJ-UHFFFAOYSA-N -1 3 348.403 2.750 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000131740689 1261536906 /nfs/dbraw/zinc/53/69/06/1261536906.db2.gz DELRICAUIQWGKF-OAHLLOKOSA-N -1 3 339.307 2.565 20 30 EFEDHM C#CCCCC(=O)N1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC001078830522 1262397897 /nfs/dbraw/zinc/39/78/97/1262397897.db2.gz ASGPCDHNXBFVHZ-MRXNPFEDSA-N -1 3 342.439 2.649 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCC[C@@H](NC(=O)c3ccccc3[O-])C2)cn1 ZINC001061048306 1262826937 /nfs/dbraw/zinc/82/69/37/1262826937.db2.gz SLTCWOCFLSTHNC-ZIAGYGMSSA-N -1 3 336.395 2.812 20 30 EFEDHM C[C@]1(NC(=O)c2ccccc2[O-])CCN(c2cccc(F)c2C#N)C1 ZINC001065204846 1263560658 /nfs/dbraw/zinc/56/06/58/1263560658.db2.gz RWXHTQQBKWDAGM-IBGZPJMESA-N -1 3 339.370 2.802 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccc(F)cc3F)C2)c1[O-] ZINC000730146659 1264214099 /nfs/dbraw/zinc/21/40/99/1264214099.db2.gz CXOZHTVWAYJRMW-HMAUVEFUSA-N -1 3 347.365 2.564 20 30 EFEDHM Cc1cc(C)n(C2N=NC(=S)N2N=Cc2cc(Cl)ccc2[O-])n1 ZINC000730567590 1264378822 /nfs/dbraw/zinc/37/88/22/1264378822.db2.gz LGIOKMIPDGAHFO-UHFFFAOYSA-N -1 3 348.819 2.611 20 30 EFEDHM C=CCN1CC[C@]2(CCCN(Cc3ccc(C(=O)[O-])cc3)CC2)C1=O ZINC001272969244 1264379878 /nfs/dbraw/zinc/37/98/78/1264379878.db2.gz OVMPZDUYGBVKDH-HXUWFJFHSA-N -1 3 342.439 2.775 20 30 EFEDHM Cc1nc2c(s1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCC2 ZINC000730946732 1264490227 /nfs/dbraw/zinc/49/02/27/1264490227.db2.gz KUSRPOIEKYKHJI-UHFFFAOYSA-N -1 3 335.454 2.612 20 30 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C=CCn1c2ccccc2n2nc(C)c(C(C)=N[N-]c3nc[nH]n3)c12 ZINC000807996392 1281486651 /nfs/dbraw/zinc/48/66/51/1281486651.db2.gz RMOSZFRDMXNOTK-UHFFFAOYSA-N -1 3 334.387 2.738 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1n[n-]c2c1cccc2OC ZINC000808675826 1281862216 /nfs/dbraw/zinc/86/22/16/1281862216.db2.gz UKSKWEYLFDFMNP-LBPRGKRZSA-N -1 3 345.399 2.541 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1[n-]nc2c1cccc2OC ZINC000808675826 1281862219 /nfs/dbraw/zinc/86/22/19/1281862219.db2.gz UKSKWEYLFDFMNP-LBPRGKRZSA-N -1 3 345.399 2.541 20 30 EFEDHM C=C(Cl)CN1CCC2(C[C@H](C)N(C(=O)c3ncccc3[O-])C2)CC1 ZINC001086918746 1281924855 /nfs/dbraw/zinc/92/48/55/1281924855.db2.gz WIYZROHSPHVTST-AWEZNQCLSA-N -1 3 349.862 2.856 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Cl)cc2c(Cl)ncnc12 ZINC001171362306 1282063661 /nfs/dbraw/zinc/06/36/61/1282063661.db2.gz BCKSVJZOFSZCIK-WKEGUHRASA-N -1 3 327.171 2.585 20 30 EFEDHM CCOC(=O)c1ccc(C(F)(F)F)c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1 ZINC001171366009 1282082048 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EFEDHM N#Cc1cc([O-])cc(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000811185060 1284092121 /nfs/dbraw/zinc/09/21/21/1284092121.db2.gz YBNBHBQBXVCFMG-UHFFFAOYSA-N -1 3 334.234 2.807 20 30 EFEDHM CC(C)(C)C(=O)N1CCC(COC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000811184277 1284093693 /nfs/dbraw/zinc/09/36/93/1284093693.db2.gz LJVQBUSEGGXTEW-UHFFFAOYSA-N -1 3 344.411 2.705 20 30 EFEDHM Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186501 1284095290 /nfs/dbraw/zinc/09/52/90/1284095290.db2.gz PPHVQEWESQQQJL-NSHDSACASA-N -1 3 342.326 2.895 20 30 EFEDHM COCCCOC1(COC(=O)c2cc([O-])cc(C#N)c2)CCCC1 ZINC000811187863 1284095763 /nfs/dbraw/zinc/09/57/63/1284095763.db2.gz NWRGQXKCDAIPBL-UHFFFAOYSA-N -1 3 333.384 2.787 20 30 EFEDHM C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188008 1284096637 /nfs/dbraw/zinc/09/66/37/1284096637.db2.gz SMJCZJITWJUAJV-ZDUSSCGKSA-N -1 3 338.363 2.640 20 30 EFEDHM Cc1nc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)sc1C ZINC000811188789 1284098619 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EFEDHM N#C[C@H]1CN(Cc2ccc([O-])c(F)c2)CCN1Cc1ccccc1 ZINC000813334535 1285817026 /nfs/dbraw/zinc/81/70/26/1285817026.db2.gz OQCASHBFQTZFBN-KRWDZBQOSA-N -1 3 325.387 2.741 20 30 EFEDHM N#C[C@@H]1CN(Cc2ccc([O-])c(F)c2)CCN1Cc1ccccc1 ZINC000813334536 1285817921 /nfs/dbraw/zinc/81/79/21/1285817921.db2.gz OQCASHBFQTZFBN-QGZVFWFLSA-N -1 3 325.387 2.741 20 30 EFEDHM N#Cc1ccncc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000814176653 1286360316 /nfs/dbraw/zinc/36/03/16/1286360316.db2.gz TXVSDFBXHQYRPJ-UHFFFAOYSA-N -1 3 328.803 2.634 20 30 EFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000814397350 1286571243 /nfs/dbraw/zinc/57/12/43/1286571243.db2.gz ZNPKDGNONSQAGD-UHFFFAOYSA-N -1 3 347.383 2.632 20 30 EFEDHM N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)cc1 ZINC001095188557 1286643034 /nfs/dbraw/zinc/64/30/34/1286643034.db2.gz LLFJXUFRYTXUPO-NEWSRXKRSA-N -1 3 347.418 2.799 20 30 EFEDHM N#Cc1ccc([O-])c(Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC001174254521 1286940122 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O=C(N[C@H]1CCCN([O-])C1=O)c1cc(-c2ccccn2)ccc1Cl ZINC000816754402 1288263301 /nfs/dbraw/zinc/26/33/01/1288263301.db2.gz CUSQLFQWYORZDY-HNNXBMFYSA-N -1 3 345.786 2.512 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000816756574 1288264651 /nfs/dbraw/zinc/26/46/51/1288264651.db2.gz ZWARNEAPISUTGD-LBPRGKRZSA-N -1 3 334.372 2.664 20 30 EFEDHM CC(C)=CCSc1ccccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816755246 1288265063 /nfs/dbraw/zinc/26/50/63/1288265063.db2.gz WNOWHAVVFRYOPR-AWEZNQCLSA-N -1 3 334.441 2.855 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000816754896 1288265127 /nfs/dbraw/zinc/26/51/27/1288265127.db2.gz ORFOFKIVNDAYPW-HNNXBMFYSA-N -1 3 345.786 2.512 20 30 EFEDHM CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757469 1288265446 /nfs/dbraw/zinc/26/54/46/1288265446.db2.gz SRBPWEUEJOEYBG-LLVKDONJSA-N -1 3 328.821 2.562 20 30 EFEDHM C[C@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816757004 1288266333 /nfs/dbraw/zinc/26/63/33/1288266333.db2.gz KDKRRORKHHUMED-ZWNOBZJWSA-N -1 3 344.333 2.695 20 30 EFEDHM CC(C)(C)c1ccc(OCCCC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000816757028 1288266298 /nfs/dbraw/zinc/26/62/98/1288266298.db2.gz KMMFCUFKPNAPDT-MRXNPFEDSA-N -1 3 348.443 2.640 20 30 EFEDHM Cc1noc([N-]C(=O)C(O)(c2cccs2)c2cccs2)c1C#N ZINC001177761875 1288537279 /nfs/dbraw/zinc/53/72/79/1288537279.db2.gz SUFAUOCMPVBCMY-UHFFFAOYSA-N -1 3 345.405 2.852 20 30 EFEDHM CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001179646805 1289204997 /nfs/dbraw/zinc/20/49/97/1289204997.db2.gz XMRFGBJEJBPURG-SFHVURJKSA-N -1 3 345.399 2.992 20 30 EFEDHM CC(C)(C)OC(=O)NCCCCC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001179635312 1289215700 /nfs/dbraw/zinc/21/57/00/1289215700.db2.gz XZVMHPIUJLHISS-UHFFFAOYSA-N -1 3 333.388 2.897 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(-c2cccc(F)c2)s1 ZINC000823160649 1289231733 /nfs/dbraw/zinc/23/17/33/1289231733.db2.gz JCGIKQCYKIRPCK-LBPRGKRZSA-N -1 3 334.372 2.664 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccnc(Cl)c1 ZINC000823651009 1289399462 /nfs/dbraw/zinc/39/94/62/1289399462.db2.gz RYMPKARGVAUOCZ-UHFFFAOYSA-N -1 3 344.802 2.573 20 30 EFEDHM CO[C@@](C(=O)[N-]c1onc(C)c1C#N)(c1ccccc1)C(F)(F)F ZINC001180102428 1289417830 /nfs/dbraw/zinc/41/78/30/1289417830.db2.gz GJJHMFWNYCQUNS-CQSZACIVSA-N -1 3 339.273 2.897 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C[C@@H]2CCCCO2)c(C)c1[O-] ZINC001180415754 1289528364 /nfs/dbraw/zinc/52/83/64/1289528364.db2.gz VUBHJSICYIDFPH-ZDUSSCGKSA-N -1 3 346.383 2.647 20 30 EFEDHM CCCOc1ccc([C@H](O)C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001180835227 1289634665 /nfs/dbraw/zinc/63/46/65/1289634665.db2.gz KJMZSVHESKWXNB-KRWDZBQOSA-N -1 3 326.352 2.725 20 30 EFEDHM C=CCOC[C@H]1CCC[C@@]12CN(Cc1cc(C#N)ccc1[O-])CCO2 ZINC001232677014 1312758493 /nfs/dbraw/zinc/75/84/93/1312758493.db2.gz WQZMCDBRGNNESY-UYAOXDASSA-N -1 3 342.439 2.838 20 30 EFEDHM N#Cc1ccc([O-])c(CN2CCN(c3noc4ccccc43)CC2)c1 ZINC001232674358 1312758138 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CCOCCOc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001187158732 1291107989 /nfs/dbraw/zinc/10/79/89/1291107989.db2.gz NHZDKPHLSDDGGN-UHFFFAOYSA-N -1 3 326.352 2.931 20 30 EFEDHM C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233036170 1312839349 /nfs/dbraw/zinc/83/93/49/1312839349.db2.gz LXCOWFQASHYDEY-YOEHRIQHSA-N -1 3 338.835 2.767 20 30 EFEDHM N#Cc1ccc(N2CCCN(Cc3cccc([O-])c3F)CC2)nc1 ZINC001233053014 1312844626 /nfs/dbraw/zinc/84/46/26/1312844626.db2.gz GWBBNAHCTCPEQL-UHFFFAOYSA-N -1 3 326.375 2.510 20 30 EFEDHM CCCCCCCCS(=O)(=O)[N-]c1cncc(C(=O)OC)c1 ZINC001187993132 1291280896 /nfs/dbraw/zinc/28/08/96/1291280896.db2.gz KBMGWQYDGHCZAD-UHFFFAOYSA-N -1 3 328.434 2.970 20 30 EFEDHM C#CCCCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795783321 1291418943 /nfs/dbraw/zinc/41/89/43/1291418943.db2.gz RZZABCUORLMOLZ-UHFFFAOYSA-N -1 3 349.330 2.647 20 30 EFEDHM C=CCN1CCC[C@H]1CNC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587844 1291429952 /nfs/dbraw/zinc/42/99/52/1291429952.db2.gz BUAVBGSYFUPGRL-LBPRGKRZSA-N -1 3 328.334 2.791 20 30 EFEDHM CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000877978915 1291435576 /nfs/dbraw/zinc/43/55/76/1291435576.db2.gz SDAMQIZUNULMGS-ZDUSSCGKSA-N -1 3 339.823 2.967 20 30 EFEDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cccc(CC#N)c1 ZINC001188681932 1291442864 /nfs/dbraw/zinc/44/28/64/1291442864.db2.gz FYIXLQDKSOLHAP-UHFFFAOYSA-N -1 3 328.299 2.636 20 30 EFEDHM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N[C@H]1CCCN([O-])C1=O ZINC000877993274 1291444333 /nfs/dbraw/zinc/44/43/33/1291444333.db2.gz GURKSKDKVYNJBB-KRWDZBQOSA-N -1 3 337.379 2.760 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc(F)n2)c(C)c1[O-] ZINC001188713417 1291449657 /nfs/dbraw/zinc/44/96/57/1291449657.db2.gz ULIDIEKARMLVDH-UHFFFAOYSA-N -1 3 343.314 2.535 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(Cl)c1 ZINC000126937838 1291524957 /nfs/dbraw/zinc/52/49/57/1291524957.db2.gz QIICMUBYUAJXJO-UHFFFAOYSA-N -1 3 326.736 2.857 20 30 EFEDHM COc1cc([O-])c(CN(CCC#N)CCC#N)cc1Br ZINC001233141095 1312865480 /nfs/dbraw/zinc/86/54/80/1312865480.db2.gz DZFDKVBQMJNOQH-UHFFFAOYSA-N -1 3 338.205 2.793 20 30 EFEDHM O=C(Nc1ccccc1OC1CCCC1)N[C@@H]1CCCN([O-])C1=O ZINC000878313161 1291621012 /nfs/dbraw/zinc/62/10/12/1291621012.db2.gz WKVXMWIGVVZTAP-CQSZACIVSA-N -1 3 333.388 2.510 20 30 EFEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2cc(F)ccc2F)cc1Cl ZINC001189652941 1291804901 /nfs/dbraw/zinc/80/49/01/1291804901.db2.gz MBGVFSGOMZKACK-UHFFFAOYSA-N -1 3 343.742 2.827 20 30 EFEDHM CSc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1Cl ZINC000878865211 1291832810 /nfs/dbraw/zinc/83/28/10/1291832810.db2.gz VHQICJJAWUKJPW-SNVBAGLBSA-N -1 3 329.809 2.564 20 30 EFEDHM O=C(Nc1ccc(CCC(F)(F)F)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000878896892 1291854188 /nfs/dbraw/zinc/85/41/88/1291854188.db2.gz AHWBONLUYMZUBP-GFCCVEGCSA-N -1 3 345.321 2.683 20 30 EFEDHM COc1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)ccc1C#N ZINC001189827330 1291887481 /nfs/dbraw/zinc/88/74/81/1291887481.db2.gz MLDDECJFICFZHR-UHFFFAOYSA-N -1 3 338.335 2.787 20 30 EFEDHM Cc1ccc(-c2ncccc2NC(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC000879319622 1292070092 /nfs/dbraw/zinc/07/00/92/1292070092.db2.gz BEPGRIQNALDLPG-LBPRGKRZSA-N -1 3 346.412 2.620 20 30 EFEDHM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(Cl)n1 ZINC001190618078 1292228798 /nfs/dbraw/zinc/22/87/98/1292228798.db2.gz ZJPKJRSCMSHHTD-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc3c(c2)CCC3)c1 ZINC001190610902 1292248842 /nfs/dbraw/zinc/24/88/42/1292248842.db2.gz FLJSLOZUJOOHJI-UHFFFAOYSA-N -1 3 330.384 2.665 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(F)c2Cl)c1 ZINC001190665864 1292251102 /nfs/dbraw/zinc/25/11/02/1292251102.db2.gz PWSBKAKPBCHVAY-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C1CC1 ZINC001190665532 1292251329 /nfs/dbraw/zinc/25/13/29/1292251329.db2.gz NWUROMTZUNJTSJ-KRWDZBQOSA-N -1 3 345.399 2.830 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCc2coc3ccccc23)c1 ZINC001190668949 1292254658 /nfs/dbraw/zinc/25/46/58/1292254658.db2.gz DKZKSUBVKOEBLI-UHFFFAOYSA-N -1 3 344.367 2.965 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCCCc2ccccc2)c1 ZINC001190669906 1292254754 /nfs/dbraw/zinc/25/47/54/1292254754.db2.gz AYULTWBKTXEZFL-UHFFFAOYSA-N -1 3 332.400 2.999 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)c1 ZINC001190669791 1292254817 /nfs/dbraw/zinc/25/48/17/1292254817.db2.gz ZKKCRJSJUROSNH-UHFFFAOYSA-N -1 3 334.347 2.804 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(F)cc2)c1 ZINC001190669412 1292255202 /nfs/dbraw/zinc/25/52/02/1292255202.db2.gz QLAJKKCOEALCFQ-DZGCQCFKSA-N -1 3 334.347 2.671 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3F)c1 ZINC001190669285 1292255529 /nfs/dbraw/zinc/25/55/29/1292255529.db2.gz LQRAKMBIWQOSMV-OAHLLOKOSA-N -1 3 334.347 2.802 20 30 EFEDHM Cc1cc(C#N)ccc1CN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765557 1292262947 /nfs/dbraw/zinc/26/29/47/1292262947.db2.gz FLFRTWQOPLFWEJ-HNNXBMFYSA-N -1 3 325.334 2.510 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCc3ccccc3C2)c1 ZINC001190677099 1292281922 /nfs/dbraw/zinc/28/19/22/1292281922.db2.gz ISOWUQSACYBXPZ-AWEZNQCLSA-N -1 3 344.411 2.781 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CSc3ccccc3C2)c1 ZINC001190676854 1292282915 /nfs/dbraw/zinc/28/29/15/1292282915.db2.gz JSCFLFFYGGTIDM-CYBMUJFWSA-N -1 3 348.424 2.693 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc3C2)c1 ZINC001190677219 1292282963 /nfs/dbraw/zinc/28/29/63/1292282963.db2.gz KWNWSAWFKVAHDW-HNNXBMFYSA-N -1 3 348.374 2.672 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc32)c1 ZINC001190677772 1292283079 /nfs/dbraw/zinc/28/30/79/1292283079.db2.gz WRVFRDAHPMHZJF-AWEZNQCLSA-N -1 3 330.384 2.706 20 30 EFEDHM N#Cc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC001233383608 1312919270 /nfs/dbraw/zinc/91/92/70/1312919270.db2.gz ODOVGRQDXMLMEY-UHFFFAOYSA-N -1 3 325.387 2.721 20 30 EFEDHM CC(=O)c1ccc(N2CCN(Cc3ccc(C#N)cc3[O-])CC2)cc1 ZINC001233386193 1312919639 /nfs/dbraw/zinc/91/96/39/1312919639.db2.gz JLNMQJQNQPAXDI-UHFFFAOYSA-N -1 3 335.407 2.789 20 30 EFEDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(C#N)cc2[O-])CC[C@H]1F ZINC001233386972 1312920187 /nfs/dbraw/zinc/92/01/87/1312920187.db2.gz PFNBIUOVYFUXNJ-CABCVRRESA-N -1 3 349.406 2.701 20 30 EFEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(C#N)cc1[O-])CCO2 ZINC001233385582 1312920591 /nfs/dbraw/zinc/92/05/91/1312920591.db2.gz MZKCUYPHKRFESB-AZUAARDMSA-N -1 3 342.439 2.838 20 30 EFEDHM Cc1ccc(C(F)(F)F)c(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000880111524 1292379102 /nfs/dbraw/zinc/37/91/02/1292379102.db2.gz RYGZSWULQZBTPO-JTQLQIEISA-N -1 3 331.294 2.516 20 30 EFEDHM C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1c(F)ccc([O-])c1F ZINC001233395472 1312923351 /nfs/dbraw/zinc/92/33/51/1312923351.db2.gz YWRUUHRSSPABSE-HNNXBMFYSA-N -1 3 349.381 2.706 20 30 EFEDHM C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233395262 1312923369 /nfs/dbraw/zinc/92/33/69/1312923369.db2.gz RDHWCAPJYBFVOL-UGSOOPFHSA-N -1 3 339.382 2.997 20 30 EFEDHM Cn1nccc1-c1cccc(C(=O)N([O-])C(=N)c2ccccc2N)c1 ZINC001192298096 1292862890 /nfs/dbraw/zinc/86/28/90/1292862890.db2.gz YXAZOBIDTUCGDB-UHFFFAOYSA-N -1 3 335.367 2.526 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)CC#N)ccc1NC(=O)OC(C)(C)C ZINC001192986335 1293118837 /nfs/dbraw/zinc/11/88/37/1293118837.db2.gz YGHDJMLOURZZNI-UHFFFAOYSA-N -1 3 325.390 2.607 20 30 EFEDHM Cc1nc(C(=O)Nc2ccc([O-])c(C#N)c2)ccc1Br ZINC001193069276 1293151038 /nfs/dbraw/zinc/15/10/38/1293151038.db2.gz OXGHOZKJNOKUOH-UHFFFAOYSA-N -1 3 332.157 2.982 20 30 EFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1cc(C(C)(C)C)nn1Cc1ccccc1 ZINC001193106571 1293171394 /nfs/dbraw/zinc/17/13/94/1293171394.db2.gz SJENECVFINFAAK-CYBMUJFWSA-N -1 3 346.456 2.883 20 30 EFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1c(F)c(F)c(F)cc1Br ZINC001193146578 1293186014 /nfs/dbraw/zinc/18/60/14/1293186014.db2.gz PHXPSFSNMRUSFY-BYPYZUCNSA-N -1 3 343.124 2.520 20 30 EFEDHM N#Cc1c(Cl)ccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1Cl ZINC001193281483 1293235325 /nfs/dbraw/zinc/23/53/25/1293235325.db2.gz XSFWDGVPLCLVOX-MRVPVSSYSA-N -1 3 335.212 2.786 20 30 EFEDHM CC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC(F)(F)C1 ZINC000882573595 1293253940 /nfs/dbraw/zinc/25/39/40/1293253940.db2.gz DBZOCDHSAQEUMA-UHFFFAOYSA-N -1 3 334.775 2.925 20 30 EFEDHM C[C@@H](C#N)c1ccc(NC(=O)c2cccc(OCCO)c2[O-])cc1 ZINC001193345431 1293264114 /nfs/dbraw/zinc/26/41/14/1293264114.db2.gz YPCDIGYVIRNHLN-LBPRGKRZSA-N -1 3 326.352 2.643 20 30 EFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001233801269 1312994869 /nfs/dbraw/zinc/99/48/69/1312994869.db2.gz XXBNFTHCCKCWDJ-ZNBBLSJYSA-N -1 3 328.324 2.958 20 30 EFEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC001193636554 1293378181 /nfs/dbraw/zinc/37/81/81/1293378181.db2.gz UVVZUIRZOSZXCW-UHFFFAOYSA-N -1 3 347.783 2.893 20 30 EFEDHM N#Cc1cnc(CNC(=O)c2ccc([O-])cc2C(F)(F)F)s1 ZINC001193759097 1293438242 /nfs/dbraw/zinc/43/82/42/1293438242.db2.gz MPTBJZLMRLGHSW-UHFFFAOYSA-N -1 3 327.287 2.669 20 30 EFEDHM N#Cc1cc([N-]S(=O)(=O)c2ccccc2N)ccc1N1CCCC1 ZINC001193928578 1293479339 /nfs/dbraw/zinc/47/93/39/1293479339.db2.gz GTCQXXFTNHXJCF-UHFFFAOYSA-N -1 3 342.424 2.541 20 30 EFEDHM C#Cc1cc([N-]S(=O)(=O)Cc2noc3ccccc23)ccc1F ZINC001194095596 1293531492 /nfs/dbraw/zinc/53/14/92/1293531492.db2.gz ZNXRPRRFMCZDEX-UHFFFAOYSA-N -1 3 330.340 2.890 20 30 EFEDHM Cc1coc([N-]C(=O)c2cn(-c3cccc(Cl)c3)nn2)c1C#N ZINC001194148592 1293536732 /nfs/dbraw/zinc/53/67/32/1293536732.db2.gz UJJJVKSLQXNTBJ-UHFFFAOYSA-N -1 3 327.731 2.946 20 30 EFEDHM N#Cc1cc(NC(=O)c2cn(Cc3ccccc3F)cn2)ccc1[O-] ZINC001194628500 1293679810 /nfs/dbraw/zinc/67/98/10/1293679810.db2.gz HVLVIZKHIUZDRW-UHFFFAOYSA-N -1 3 336.326 2.900 20 30 EFEDHM COc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)cc(Br)n1 ZINC001194987992 1293768925 /nfs/dbraw/zinc/76/89/25/1293768925.db2.gz XBOMXSKUBRJJGE-UHFFFAOYSA-N -1 3 348.156 2.682 20 30 EFEDHM C=CCCOc1ccc(C(=O)Nc2nc[n-]c2C(=O)OCC)cc1 ZINC001195113580 1293807773 /nfs/dbraw/zinc/80/77/73/1293807773.db2.gz BWPOGBQHPFVGDU-UHFFFAOYSA-N -1 3 329.356 2.794 20 30 EFEDHM C=CCCOc1ccc(C(=O)Nc2[n-]cnc2C(=O)OCC)cc1 ZINC001195113580 1293807779 /nfs/dbraw/zinc/80/77/79/1293807779.db2.gz BWPOGBQHPFVGDU-UHFFFAOYSA-N -1 3 329.356 2.794 20 30 EFEDHM C=CCCOc1ccc(C(=O)Nc2cnc(C(=O)OCC)[n-]2)cc1 ZINC001195124399 1293814578 /nfs/dbraw/zinc/81/45/78/1293814578.db2.gz JCGBHRKVGCBUOT-UHFFFAOYSA-N -1 3 329.356 2.794 20 30 EFEDHM C=CCCOc1ccc(C(=O)Nc2c[n-]c(C(=O)OCC)n2)cc1 ZINC001195124399 1293814586 /nfs/dbraw/zinc/81/45/86/1293814586.db2.gz JCGBHRKVGCBUOT-UHFFFAOYSA-N -1 3 329.356 2.794 20 30 EFEDHM N#Cc1ccccc1OCCCNC(=O)c1ccc(Cl)[n-]c1=O ZINC001195140721 1293819850 /nfs/dbraw/zinc/81/98/50/1293819850.db2.gz BUEIZCKNNIPCFL-UHFFFAOYSA-N -1 3 331.759 2.511 20 30 EFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccnc(N3CCCCC3)c2)c1 ZINC000903665540 1313034246 /nfs/dbraw/zinc/03/42/46/1313034246.db2.gz WNOWALGFUIJYGS-UHFFFAOYSA-N -1 3 342.424 2.744 20 30 EFEDHM Cc1c([N-]S(=O)(=O)c2cccc(C#N)c2)c(F)ccc1[N+](=O)[O-] ZINC000800052105 1293896343 /nfs/dbraw/zinc/89/63/43/1293896343.db2.gz GXXWHPPWDWICMA-UHFFFAOYSA-N -1 3 335.316 2.715 20 30 EFEDHM N#CC1(CCCOC(=O)c2cc(-c3ccco3)[n-]n2)CCOCC1 ZINC000800127645 1293925753 /nfs/dbraw/zinc/92/57/53/1293925753.db2.gz WKOQTGPCLUXWCS-UHFFFAOYSA-N -1 3 329.356 2.927 20 30 EFEDHM N#CC1(CCCOC(=O)c2cc(-c3ccco3)n[n-]2)CCOCC1 ZINC000800127645 1293925758 /nfs/dbraw/zinc/92/57/58/1293925758.db2.gz WKOQTGPCLUXWCS-UHFFFAOYSA-N -1 3 329.356 2.927 20 30 EFEDHM CCOC([O-])=NC(=S)Nc1ccc(C#N)cc1OC(F)(F)F ZINC001195484536 1293938775 /nfs/dbraw/zinc/93/87/75/1293938775.db2.gz NPXGRZDLWKXYIE-UHFFFAOYSA-N -1 3 333.291 2.900 20 30 EFEDHM CCOC(=O)N=C([S-])Nc1ccc(C#N)cc1OC(F)(F)F ZINC001195484536 1293938780 /nfs/dbraw/zinc/93/87/80/1293938780.db2.gz NPXGRZDLWKXYIE-UHFFFAOYSA-N -1 3 333.291 2.900 20 30 EFEDHM CCOC(=O)[N-]C(=S)Nc1ccc(C#N)cc1OC(F)(F)F ZINC001195484536 1293938784 /nfs/dbraw/zinc/93/87/84/1293938784.db2.gz NPXGRZDLWKXYIE-UHFFFAOYSA-N -1 3 333.291 2.900 20 30 EFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000102119573 1294000843 /nfs/dbraw/zinc/00/08/43/1294000843.db2.gz TUQCNTNHRVYRDW-CYBMUJFWSA-N -1 3 339.307 2.565 20 30 EFEDHM Cc1cccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)nn2)c1 ZINC000102119614 1294001125 /nfs/dbraw/zinc/00/11/25/1294001125.db2.gz HNKAQQYJHMJYCB-INIZCTEOSA-N -1 3 345.362 2.537 20 30 EFEDHM N#Cc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)c([O-])c1 ZINC001195733196 1294004368 /nfs/dbraw/zinc/00/43/68/1294004368.db2.gz DDHJLFJQCFOWMH-UHFFFAOYSA-N -1 3 327.428 2.602 20 30 EFEDHM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCc4nc[nH]c4C3)c2)c1 ZINC001196309044 1294185617 /nfs/dbraw/zinc/18/56/17/1294185617.db2.gz JXVKSKOSPDMMDR-UHFFFAOYSA-N -1 3 344.374 2.852 20 30 EFEDHM COc1cccc(-c2cc([O-])cc(C(=O)Nc3cn(C)nc3C#N)c2)c1 ZINC001196366891 1294229954 /nfs/dbraw/zinc/22/99/54/1294229954.db2.gz VSYZLIAPLVWSIF-UHFFFAOYSA-N -1 3 348.362 2.925 20 30 EFEDHM Cc1ncc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(Cl)n1 ZINC001196647933 1294317662 /nfs/dbraw/zinc/31/76/62/1294317662.db2.gz LMNFIFMSXJEUFY-UHFFFAOYSA-N -1 3 343.195 2.764 20 30 EFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)[nH]c(=O)c1 ZINC001196650310 1294319737 /nfs/dbraw/zinc/31/97/37/1294319737.db2.gz LESXLHSXOYMVOK-UHFFFAOYSA-N -1 3 344.179 2.766 20 30 EFEDHM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000102596361 1294324587 /nfs/dbraw/zinc/32/45/87/1294324587.db2.gz OTBFECLDFKVELR-HNNXBMFYSA-N -1 3 345.362 2.537 20 30 EFEDHM N#Cc1cc([O-])cc(O[C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)c1 ZINC001234144507 1313067720 /nfs/dbraw/zinc/06/77/20/1313067720.db2.gz PFPJMBOJNDJPMC-ZDUSSCGKSA-N -1 3 343.314 2.969 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000775747663 1294412960 /nfs/dbraw/zinc/41/29/60/1294412960.db2.gz WNPIJTANQCYKRI-SNVBAGLBSA-N -1 3 346.836 2.545 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2)c(Br)n1 ZINC001251115529 1294457761 /nfs/dbraw/zinc/45/77/61/1294457761.db2.gz FYEKRNVMJZQRSU-UHFFFAOYSA-N -1 3 338.186 2.517 20 30 EFEDHM C[Si](C)(C)C#Cc1ncccc1[N-]S(=O)(=O)Cc1cccnc1 ZINC001197421783 1294546708 /nfs/dbraw/zinc/54/67/08/1294546708.db2.gz LMPABHWVQNASOT-UHFFFAOYSA-N -1 3 345.500 2.647 20 30 EFEDHM C=CCOC(=O)N1CCC2(CN(Cc3ccc(C(=O)[O-])cc3)C2)CC1 ZINC001204152428 1313091697 /nfs/dbraw/zinc/09/16/97/1313091697.db2.gz KCZNSPUKWODNON-UHFFFAOYSA-N -1 3 344.411 2.605 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000959222995 1295077334 /nfs/dbraw/zinc/07/73/34/1295077334.db2.gz XTHJBSOVOYHQNK-LSDHHAIUSA-N -1 3 344.455 2.961 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@@H]([C@H](C)NC(=O)c3ccccc3[O-])C2)C1 ZINC000959272605 1295147309 /nfs/dbraw/zinc/14/73/09/1295147309.db2.gz QPVPSTBCPNFQKZ-LSDHHAIUSA-N -1 3 342.439 2.715 20 30 EFEDHM CCOC(=O)[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1 ZINC001234510733 1313141594 /nfs/dbraw/zinc/14/15/94/1313141594.db2.gz DZGDYEDSYCNMFV-MRXNPFEDSA-N -1 3 349.346 2.890 20 30 EFEDHM COC(=O)C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234513504 1313142589 /nfs/dbraw/zinc/14/25/89/1313142589.db2.gz MOKDQNKDUMUVAU-DGCLKSJQSA-N -1 3 341.367 2.708 20 30 EFEDHM C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1sc(=O)[n-]c1Cl ZINC001274175121 1295547589 /nfs/dbraw/zinc/54/75/89/1295547589.db2.gz WOFFUYJWDGNLOU-HNNXBMFYSA-N -1 3 341.864 2.645 20 30 EFEDHM C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001274182942 1295551216 /nfs/dbraw/zinc/55/12/16/1295551216.db2.gz XLYIQXUZNYTUOG-CQSZACIVSA-N -1 3 334.847 2.950 20 30 EFEDHM N#Cc1c(F)ccc([N-]C(=O)c2nccc(OC3CCC3)n2)c1F ZINC001199635217 1295641597 /nfs/dbraw/zinc/64/15/97/1295641597.db2.gz DWHKANLKOAUTHC-UHFFFAOYSA-N -1 3 330.294 2.810 20 30 EFEDHM CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)[nH]2)c([O-])c1 ZINC001199681714 1295675531 /nfs/dbraw/zinc/67/55/31/1295675531.db2.gz ZDDZNRPZKMWODK-UHFFFAOYSA-N -1 3 327.340 2.800 20 30 EFEDHM Cc1nc2c(c(=O)[n-]1)CN(c1ccc(C#N)c(Br)c1)C2 ZINC001412890918 1295682486 /nfs/dbraw/zinc/68/24/86/1295682486.db2.gz DPNIWWLUPAKGIT-UHFFFAOYSA-N -1 3 331.173 2.645 20 30 EFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccn1Cc1ccccc1 ZINC001199778647 1295745287 /nfs/dbraw/zinc/74/52/87/1295745287.db2.gz OFTNJMCZHHHEHG-UHFFFAOYSA-N -1 3 334.379 2.976 20 30 EFEDHM C#CC[C@@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748881 1313188619 /nfs/dbraw/zinc/18/86/19/1313188619.db2.gz MWWXWHOIQHZCAX-SECBINFHSA-N -1 3 326.304 2.854 20 30 EFEDHM N#Cc1ccnc(N2CCC(Oc3nc4ccsc4[n-]3)CC2)c1 ZINC001234847590 1313197942 /nfs/dbraw/zinc/19/79/42/1313197942.db2.gz KIKVCNVSWXZHRX-UHFFFAOYSA-N -1 3 325.397 2.939 20 30 EFEDHM N#Cc1ccnc(N2CCC(Oc3nc4sccc4[n-]3)CC2)c1 ZINC001234847590 1313197944 /nfs/dbraw/zinc/19/79/44/1313197944.db2.gz KIKVCNVSWXZHRX-UHFFFAOYSA-N -1 3 325.397 2.939 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2nc3cc(Cl)ccc3n2C)c1[O-] ZINC000777400929 1296006276 /nfs/dbraw/zinc/00/62/76/1296006276.db2.gz GVAZXUFTAVFXTL-GXHLCREISA-N -1 3 344.802 2.747 20 30 EFEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234907378 1313206572 /nfs/dbraw/zinc/20/65/72/1313206572.db2.gz XIXFQKXCSIKJCA-JTQLQIEISA-N -1 3 338.429 2.886 20 30 EFEDHM Cn1cnc2cc(C(=O)[N-]c3c(C#N)oc4ccccc43)ccc2c1=O ZINC001201330683 1296706654 /nfs/dbraw/zinc/70/66/54/1296706654.db2.gz UQVVPVAQXMZZDE-UHFFFAOYSA-N -1 3 344.330 2.804 20 30 EFEDHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(F)c1 ZINC001201316954 1296723341 /nfs/dbraw/zinc/72/33/41/1296723341.db2.gz JLHCWPCRQLOMLO-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM CCOC(Cc1c(Nc2ccc(C#N)cc2F)nc[n-]c1=O)OCC ZINC001201560490 1296928490 /nfs/dbraw/zinc/92/84/90/1296928490.db2.gz JTMZVDFGGTYYIE-UHFFFAOYSA-N -1 3 346.362 2.878 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001017301772 1313322855 /nfs/dbraw/zinc/32/28/55/1313322855.db2.gz BYMKJKMESUAVBP-UHFFFAOYSA-N -1 3 342.439 2.883 20 30 EFEDHM O=C1c2cccc([O-])c2C/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000098055326 1296958410 /nfs/dbraw/zinc/95/84/10/1296958410.db2.gz NBJJTTMTVFJMGT-WDZFZDKYSA-N -1 3 339.303 2.894 20 30 EFEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201792227 1297079921 /nfs/dbraw/zinc/07/99/21/1297079921.db2.gz JUJBRYVVPDVFRZ-GFCCVEGCSA-N -1 3 334.210 2.668 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2cccc(F)c2Br)CCC1 ZINC001201788922 1297103405 /nfs/dbraw/zinc/10/34/05/1297103405.db2.gz TYZMZCUDCYZNJX-UHFFFAOYSA-N -1 3 347.209 2.560 20 30 EFEDHM N#Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001017367644 1313344467 /nfs/dbraw/zinc/34/44/67/1313344467.db2.gz UDGTYDIYPVZWIT-HDICACEKSA-N -1 3 347.418 2.753 20 30 EFEDHM C=CCCC[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201902816 1297149835 /nfs/dbraw/zinc/14/98/35/1297149835.db2.gz VDLFNLFNJSPGKR-UHFFFAOYSA-N -1 3 332.425 2.905 20 30 EFEDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2C#N)n1 ZINC000867412940 1297160865 /nfs/dbraw/zinc/16/08/65/1297160865.db2.gz QQOIQNLPNMMYJM-SECBINFHSA-N -1 3 339.417 2.756 20 30 EFEDHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1F ZINC000776274097 1297339021 /nfs/dbraw/zinc/33/90/21/1297339021.db2.gz MDIVOQPGIYLHQX-NSHDSACASA-N -1 3 342.326 2.895 20 30 EFEDHM Cc1nc(N[C@H](CNC(=O)c2ccccc2[O-])C2CC2)ccc1C#N ZINC001096581223 1313405051 /nfs/dbraw/zinc/40/50/51/1313405051.db2.gz FYDVGKQUPQGZJZ-MRXNPFEDSA-N -1 3 336.395 2.588 20 30 EFEDHM CN1CCN(C(=O)c2ccc(-c3cc(/C=N/[O-])ccc3F)cc2)CC1 ZINC001236563296 1313493047 /nfs/dbraw/zinc/49/30/47/1313493047.db2.gz NZMSIDZBNSFLCZ-FYJGNVAPSA-N -1 3 341.386 2.688 20 30 EFEDHM COc1cc([O-])c(CN2CCC(C#N)CC2)c(Br)c1 ZINC001237063462 1313580022 /nfs/dbraw/zinc/58/00/22/1313580022.db2.gz QWKAQANDBCQIHQ-UHFFFAOYSA-N -1 3 325.206 2.899 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000953101982 1299240884 /nfs/dbraw/zinc/24/08/84/1299240884.db2.gz DATDIBUPMMLZPW-HXUWFJFHSA-N -1 3 342.439 2.669 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000851876348 1299448215 /nfs/dbraw/zinc/44/82/15/1299448215.db2.gz ZWARPSVJTYJKRD-UHFFFAOYSA-N -1 3 346.836 2.545 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)c3ccccc3[O-])[C@H]2C1 ZINC000953386702 1299622107 /nfs/dbraw/zinc/62/21/07/1299622107.db2.gz SCXDAPOLKDDYFP-HOCLYGCPSA-N -1 3 342.439 2.667 20 30 EFEDHM C#C[C@H]1CCCN(Cc2cccc(I)c2[O-])C1 ZINC001237781046 1313704860 /nfs/dbraw/zinc/70/48/60/1313704860.db2.gz RDGSLFDWSDNNPN-NSHDSACASA-N -1 3 341.192 2.842 20 30 EFEDHM CC(C)C[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Cl)cc1 ZINC000854648804 1300651214 /nfs/dbraw/zinc/65/12/14/1300651214.db2.gz KFBQTKIFVJBDNL-LSDHHAIUSA-N -1 3 338.835 2.966 20 30 EFEDHM CC(C)C[C@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(Cl)cc1 ZINC000854648802 1300651457 /nfs/dbraw/zinc/65/14/57/1300651457.db2.gz KFBQTKIFVJBDNL-GJZGRUSLSA-N -1 3 338.835 2.966 20 30 EFEDHM N#CCCSc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000795318776 1300733203 /nfs/dbraw/zinc/73/32/03/1300733203.db2.gz NIGMECBUKUNFPV-ZDUSSCGKSA-N -1 3 340.470 2.861 20 30 EFEDHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000795361032 1300840540 /nfs/dbraw/zinc/84/05/40/1300840540.db2.gz GUJHGLYOAXWALU-UHFFFAOYSA-N -1 3 341.392 2.775 20 30 EFEDHM C=CCCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000856030606 1301210569 /nfs/dbraw/zinc/21/05/69/1301210569.db2.gz JNQAPLXSNFUKGQ-MRXNPFEDSA-N -1 3 330.428 2.780 20 30 EFEDHM C=CCCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000856028899 1301211136 /nfs/dbraw/zinc/21/11/36/1301211136.db2.gz QYPUIKQGXKGPHH-AWEZNQCLSA-N -1 3 336.819 2.816 20 30 EFEDHM C=CCCO[N-]C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000856030726 1301211187 /nfs/dbraw/zinc/21/11/87/1301211187.db2.gz OMBDKMPMVAPKLS-CYBMUJFWSA-N -1 3 335.379 2.694 20 30 EFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000859423903 1301459597 /nfs/dbraw/zinc/45/95/97/1301459597.db2.gz LUQUNAXIGUVQSX-ZDUSSCGKSA-N -1 3 339.388 2.587 20 30 EFEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cc2C)C1 ZINC001238143574 1313769715 /nfs/dbraw/zinc/76/97/15/1313769715.db2.gz NTNAZXLYUXUPLW-MRXNPFEDSA-N -1 3 332.400 2.570 20 30 EFEDHM C=CCN1C(=O)CCC12CCN(Cc1ccc(F)cc1C(=O)[O-])CC2 ZINC001238231924 1313787398 /nfs/dbraw/zinc/78/73/98/1313787398.db2.gz FPODUVCHSNXXNN-UHFFFAOYSA-N -1 3 346.402 2.667 20 30 EFEDHM C=CCN1CCN(Cc2c(Br)ccc([O-])c2F)CC1 ZINC001238305019 1313795482 /nfs/dbraw/zinc/79/54/82/1313795482.db2.gz DPTBADVIICGLRV-UHFFFAOYSA-N -1 3 329.213 2.597 20 30 EFEDHM Cc1sc2ncn(N=Cc3c(F)ccc([O-])c3F)c(=O)c2c1C ZINC000794471321 1302510249 /nfs/dbraw/zinc/51/02/49/1302510249.db2.gz NILPJCCZFCRNBB-UHFFFAOYSA-N -1 3 335.335 2.941 20 30 EFEDHM CS(=O)(=O)c1cccc(NN=Cc2c(F)ccc([O-])c2F)c1 ZINC000794526831 1302612742 /nfs/dbraw/zinc/61/27/42/1302612742.db2.gz QZRHPLDNVCBMPZ-UHFFFAOYSA-N -1 3 326.324 2.520 20 30 EFEDHM COC(=O)C[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1cccc(C)c1 ZINC000864348283 1302896027 /nfs/dbraw/zinc/89/60/27/1302896027.db2.gz INJFAZQQPYGPBV-SOFYTKRASA-N -1 3 342.395 2.620 20 30 EFEDHM C=C(Cl)C[C@@H](NCc1nc2ccc(Cl)cc2n1C)C(=O)[O-] ZINC000864518285 1302957829 /nfs/dbraw/zinc/95/78/29/1302957829.db2.gz GFUKXJTYQIXVDL-LLVKDONJSA-N -1 3 328.199 2.912 20 30 EFEDHM C=CCOc1ccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000794737217 1303043209 /nfs/dbraw/zinc/04/32/09/1303043209.db2.gz VTEYPCZUSHGCKH-AQTBWJFISA-N -1 3 334.375 2.652 20 30 EFEDHM C[C@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000965267818 1303095322 /nfs/dbraw/zinc/09/53/22/1303095322.db2.gz LXVFUQXADYPOFV-HNAYVOBHSA-N -1 3 349.434 2.904 20 30 EFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C[C@@H]2CCCO2)nn1 ZINC000865217093 1303191599 /nfs/dbraw/zinc/19/15/99/1303191599.db2.gz JJCJFHHVQHBBQO-RFKCFCLSSA-N -1 3 343.358 2.685 20 30 EFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C[C@H]2CCCO2)nn1 ZINC000865217094 1303191718 /nfs/dbraw/zinc/19/17/18/1303191718.db2.gz JJCJFHHVQHBBQO-RWTXQUORSA-N -1 3 343.358 2.685 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001018599822 1313963239 /nfs/dbraw/zinc/96/32/39/1313963239.db2.gz VXEYZLUZYZAAHV-LSDHHAIUSA-N -1 3 344.455 2.819 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC000966976181 1304516726 /nfs/dbraw/zinc/51/67/26/1304516726.db2.gz OWPCQTKPZXODHQ-INIZCTEOSA-N -1 3 344.455 2.961 20 30 EFEDHM C=CCNC(=O)c1ccccc1NC(=O)c1cc(OC)ccc1[O-] ZINC000122630370 1304823655 /nfs/dbraw/zinc/82/36/55/1304823655.db2.gz LZUVYTBVHMRIQA-UHFFFAOYSA-N -1 3 326.352 2.569 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC000968532132 1306436954 /nfs/dbraw/zinc/43/69/54/1306436954.db2.gz GPAZHSPNVCQWIC-GASCZTMLSA-N -1 3 342.439 2.810 20 30 EFEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(CC)ccc2[O-])c1 ZINC000748837609 1314147286 /nfs/dbraw/zinc/14/72/86/1314147286.db2.gz FIFCVCNWRRVHGF-UHFFFAOYSA-N -1 3 336.391 2.647 20 30 EFEDHM CN1CCN(C(=O)c2cccc(-c3ccc(/C=N/[O-])c(F)c3)c2)CC1 ZINC001241880966 1314161414 /nfs/dbraw/zinc/16/14/14/1314161414.db2.gz SVNNMNYKSZKVPX-FYJGNVAPSA-N -1 3 341.386 2.688 20 30 EFEDHM O=C(N[C@@H]1CCCN(CC#Cc2ccccc2)C1)c1ccccc1[O-] ZINC001006778393 1307103440 /nfs/dbraw/zinc/10/34/40/1307103440.db2.gz PWMCVLOYOCMZQC-GOSISDBHSA-N -1 3 334.419 2.638 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])nc1 ZINC001045345573 1307260911 /nfs/dbraw/zinc/26/09/11/1307260911.db2.gz KSMQOAUVPDFGKG-HZPDHXFCSA-N -1 3 336.395 2.812 20 30 EFEDHM C/C(=N\[O-])c1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC001242044005 1314176164 /nfs/dbraw/zinc/17/61/64/1314176164.db2.gz XAUQMRHWOBBNOZ-LDADJPATSA-N -1 3 330.409 2.993 20 30 EFEDHM C#CCC1(C(=O)N(C)CCCN(C)C(=O)c2ccccc2[O-])CCC1 ZINC001066869168 1307417257 /nfs/dbraw/zinc/41/72/57/1307417257.db2.gz SYGYHEFZBTWAPA-UHFFFAOYSA-N -1 3 342.439 2.506 20 30 EFEDHM C[C@H](CNC(=O)c1ccccc1[O-])Nc1nc(C#N)c(Cl)s1 ZINC001097675594 1314190735 /nfs/dbraw/zinc/19/07/35/1314190735.db2.gz WWGCLHMKDPDKAV-MRVPVSSYSA-N -1 3 336.804 2.604 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001007900453 1307694500 /nfs/dbraw/zinc/69/45/00/1307694500.db2.gz OJPHKEVPBJHNDV-JXFKEZNVSA-N -1 3 344.455 2.961 20 30 EFEDHM N#C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(Cl)cc1 ZINC000900607346 1308399214 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C=CC(C)(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001052691514 1314300130 /nfs/dbraw/zinc/30/01/30/1314300130.db2.gz SCPKLMLLTOCNFX-LSDHHAIUSA-N -1 3 344.455 2.819 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC2(C1)CCCN(C(=O)c1ccccc1[O-])C2 ZINC001010764763 1309561841 /nfs/dbraw/zinc/56/18/41/1309561841.db2.gz ATXJTOJWPHADMF-UHFFFAOYSA-N -1 3 342.439 2.669 20 30 EFEDHM O=C(CCc1nc(-c2ccco2)no1)N([O-])Cc1ccc(F)cc1 ZINC000901375040 1310263664 /nfs/dbraw/zinc/26/36/64/1310263664.db2.gz BVAZMPSZYNKJTR-UHFFFAOYSA-N -1 3 331.303 2.819 20 30 EFEDHM COc1ccc2c(c1)C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)CO2 ZINC000901374685 1310264069 /nfs/dbraw/zinc/26/40/69/1310264069.db2.gz RHHHGNHPYISLGX-AWEZNQCLSA-N -1 3 331.343 2.803 20 30 EFEDHM CC(=O)N[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1cccs1 ZINC000901376642 1310267227 /nfs/dbraw/zinc/26/72/27/1310267227.db2.gz XCHFXZZHECTZEU-AWEZNQCLSA-N -1 3 336.388 2.873 20 30 EFEDHM CC(=O)N[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1cccs1 ZINC000901376643 1310267299 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EFEDHM C=CCOC[C@H](NCc1cc(C)c(C)cc1OC(F)F)C(=O)[O-] ZINC000901810109 1311055246 /nfs/dbraw/zinc/05/52/46/1311055246.db2.gz IWAFGXGHFLWFKK-ZDUSSCGKSA-N -1 3 329.343 2.650 20 30 EFEDHM C=CCOC[C@H](NCc1cn(-c2ccccc2Cl)nc1C)C(=O)[O-] ZINC000901811404 1311056442 /nfs/dbraw/zinc/05/64/42/1311056442.db2.gz SQNHRRJAIVZUIB-HNNXBMFYSA-N -1 3 349.818 2.580 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)[C@@H](C)N3C)n1 ZINC000750677317 1311088170 /nfs/dbraw/zinc/08/81/70/1311088170.db2.gz FOTKOGCGRBLWDG-ZYHUDNBSSA-N -1 3 340.408 2.718 20 30 EFEDHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1Nc1cccc(F)c1C#N ZINC001067038638 1311138916 /nfs/dbraw/zinc/13/89/16/1311138916.db2.gz SBORFBWRQNZAOO-SJCJKPOMSA-N -1 3 339.370 2.976 20 30 EFEDHM Cc1nsc(N[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C)c1C#N ZINC001067036794 1311141512 /nfs/dbraw/zinc/14/15/12/1311141512.db2.gz DQAZABJCYUTULS-IINYFYTJSA-N -1 3 342.424 2.601 20 30 EFEDHM C=CCOc1cccc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)c1 ZINC000901883151 1311151681 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338.363 2.868 20 30 EFEDHM CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1cc(C(C)=O)ccc1[O-] ZINC001225994098 1311599034 /nfs/dbraw/zinc/59/90/34/1311599034.db2.gz KUOQJOMKAJQVQC-OAHLLOKOSA-N -1 3 334.444 2.786 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(/C=N/[O-])c2)CC1=O ZINC001226113998 1311615410 /nfs/dbraw/zinc/61/54/10/1311615410.db2.gz CNEXSDNLUACJPJ-XWAFYUISSA-N -1 3 334.372 2.800 20 30 EFEDHM [O-]/N=C/c1cccc(OC2CCN(c3cc(Cl)ncn3)CC2)c1 ZINC001226114027 1311615463 /nfs/dbraw/zinc/61/54/63/1311615463.db2.gz CUTDVBXLCFSGAC-KEBDBYFISA-N -1 3 332.791 2.986 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc2ccccc2c(-c2ccccc2)n1 ZINC001160174959 1311659532 /nfs/dbraw/zinc/65/95/32/1311659532.db2.gz SDJXWEYKQDIHRR-LRDDRELGSA-N -1 3 334.379 2.945 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)cc2c(Cl)ccnc21 ZINC001160174693 1311659962 /nfs/dbraw/zinc/65/99/62/1311659962.db2.gz JHEUCOMRVPNRNL-WKEGUHRASA-N -1 3 327.171 2.585 20 30 EFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cc(=O)[n-]c(CC)n1 ZINC001226472711 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329.356 2.544 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H](OCCOc2cc(C#N)ccc2[O-])C1 ZINC001227349667 1311796731 /nfs/dbraw/zinc/79/67/31/1311796731.db2.gz HVHKVEJBDKZRMQ-CQSZACIVSA-N -1 3 348.399 2.669 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](OCCOc2cc(C#N)ccc2[O-])C1 ZINC001227349666 1311796863 /nfs/dbraw/zinc/79/68/63/1311796863.db2.gz HVHKVEJBDKZRMQ-AWEZNQCLSA-N -1 3 348.399 2.669 20 30 EFEDHM CC[C@H](C#CC(=O)OC)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228154837 1311908653 /nfs/dbraw/zinc/90/86/53/1311908653.db2.gz OKASOSACLKODDA-MRXNPFEDSA-N -1 3 338.359 2.957 20 30 EFEDHM COCCCn1nccc1/C=C/C(=O)c1cc(OC)c([O-])cc1OC ZINC000802705533 1311939880 /nfs/dbraw/zinc/93/98/80/1311939880.db2.gz JRERLRGZJSSVAD-AATRIKPKSA-N -1 3 346.383 2.539 20 30 EFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCc2ncn3ccccc23)n1 ZINC001161684359 1311950596 /nfs/dbraw/zinc/95/05/96/1311950596.db2.gz QPJHMYPHXZSYPL-NGYBGAFCSA-N -1 3 348.819 2.920 20 30 EFEDHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@H](C)C#C[Si](C)(C)C ZINC001228714446 1311987322 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N#CC1(NC(=O)[C@]23C[C@H]2CCN3Cc2cc(Cl)ccc2[O-])CCC1 ZINC001277458160 1312252726 /nfs/dbraw/zinc/25/27/26/1312252726.db2.gz OXKXMCVFXKVFCE-ACJLOTCBSA-N -1 3 345.830 2.572 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000903105877 1312359517 /nfs/dbraw/zinc/35/95/17/1312359517.db2.gz IDEKIDSHTKGRBB-WDEREUQCSA-N -1 3 327.277 2.818 20 30 EFEDHM N=C(Nc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC001163683341 1312362822 /nfs/dbraw/zinc/36/28/22/1312362822.db2.gz ADNZEUSABZJONH-UHFFFAOYSA-N -1 3 344.314 2.989 20 30 EFEDHM COc1ncncc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163768768 1312381410 /nfs/dbraw/zinc/38/14/10/1312381410.db2.gz CSNHEGXAFDOYBC-UHFFFAOYSA-N -1 3 328.250 2.632 20 30 EFEDHM N#Cc1c(Cl)nc2cccc(F)c2c1NCCCc1c[n-][nH]c1=O ZINC001164373932 1312502780 /nfs/dbraw/zinc/50/27/80/1312502780.db2.gz FIHXUXHTCUUZBK-VIFPVBQESA-N -1 3 345.765 2.823 20 30 EFEDHM N#Cc1ccc(NC(=S)Nc2cnc[n-]c2=O)cc1C(F)(F)F ZINC001245742237 1314529133 /nfs/dbraw/zinc/52/91/33/1314529133.db2.gz ICLJIMACWXUOKL-UHFFFAOYSA-N -1 3 339.302 2.882 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-]c2cccc(C3(C#N)CC3)c2)ccc1N ZINC001213323442 1314538417 /nfs/dbraw/zinc/53/84/17/1314538417.db2.gz UXINCBNNWWWKHH-UHFFFAOYSA-N -1 3 327.409 2.933 20 30 EFEDHM N#CCN1CCC[C@@H]([C@H]2CCCCN2C(=O)c2ccccc2[O-])C1 ZINC001053065488 1314661248 /nfs/dbraw/zinc/66/12/48/1314661248.db2.gz GOOOFJGVFZWCBM-NVXWUHKLSA-N -1 3 327.428 2.622 20 30 EFEDHM N#CCN1CCC[C@H]([C@H]2CCCCN2C(=O)c2ccccc2[O-])C1 ZINC001053065487 1314661505 /nfs/dbraw/zinc/66/15/05/1314661505.db2.gz GOOOFJGVFZWCBM-DOTOQJQBSA-N -1 3 327.428 2.622 20 30 EFEDHM C=CCCCC(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001053295320 1314811951 /nfs/dbraw/zinc/81/19/51/1314811951.db2.gz YLBYLOFKERYBPB-HUUCEWRRSA-N -1 3 330.428 2.573 20 30 EFEDHM C=CCCNC(=S)Nc1ccc([O-])c(I)c1 ZINC001247643833 1314814030 /nfs/dbraw/zinc/81/40/30/1314814030.db2.gz LIALXATUVGCETI-UHFFFAOYSA-N -1 3 348.209 2.859 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(-c2nc(-c3cccc(C#N)c3)no2)cc1 ZINC001215447913 1314836884 /nfs/dbraw/zinc/83/68/84/1314836884.db2.gz KKTVLSNXJQAPMD-UHFFFAOYSA-N -1 3 340.364 2.647 20 30 EFEDHM N#Cc1ccc(F)c(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC001216103856 1314911791 /nfs/dbraw/zinc/91/17/91/1314911791.db2.gz GIKGQCWNQQODBH-UHFFFAOYSA-N -1 3 333.286 2.594 20 30 EFEDHM N#Cc1ccc(F)c(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC001216103856 1314911793 /nfs/dbraw/zinc/91/17/93/1314911793.db2.gz GIKGQCWNQQODBH-UHFFFAOYSA-N -1 3 333.286 2.594 20 30 EFEDHM CCc1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2[O-])ccc1C#N ZINC001216315020 1314939779 /nfs/dbraw/zinc/93/97/79/1314939779.db2.gz QURBAKQPMWSMQA-UHFFFAOYSA-N -1 3 345.424 2.820 20 30 EFEDHM N#Cc1ccc(F)c(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)c1 ZINC001217355820 1315064384 /nfs/dbraw/zinc/06/43/84/1315064384.db2.gz XBZZJJXIKTZZRG-UHFFFAOYSA-N -1 3 334.266 2.549 20 30 EFEDHM C=CCCCC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001056238278 1315611350 /nfs/dbraw/zinc/61/13/50/1315611350.db2.gz SSLODGWCYQWDSY-IAGOWNOFSA-N -1 3 342.439 2.954 20 30 EFEDHM C=CCC(C)(C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001050735757 1315807289 /nfs/dbraw/zinc/80/72/89/1315807289.db2.gz MVNRBYAMYJLZFG-CABCVRRESA-N -1 3 344.455 2.961 20 30 EFEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2cccc(F)c2)c1F ZINC001255660927 1315854490 /nfs/dbraw/zinc/85/44/90/1315854490.db2.gz GQRQXZLSWIDBSF-UHFFFAOYSA-N -1 3 330.262 2.915 20 30 EFEDHM C=CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001051453573 1315865913 /nfs/dbraw/zinc/86/59/13/1315865913.db2.gz OXEDBUMRXMSIEF-HUUCEWRRSA-N -1 3 330.428 2.715 20 30 EFEDHM N#Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256541440 1315954442 /nfs/dbraw/zinc/95/44/42/1315954442.db2.gz LYPUBXPHRPFGBJ-UHFFFAOYSA-N -1 3 342.829 2.630 20 30 EFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC001257306122 1316054932 /nfs/dbraw/zinc/05/49/32/1316054932.db2.gz HKCWDOJASPBOEG-UHFFFAOYSA-N -1 3 331.180 2.937 20 30 EFEDHM C#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC001259043530 1316201786 /nfs/dbraw/zinc/20/17/86/1316201786.db2.gz NUSWHEVADYSPJF-UHFFFAOYSA-N -1 3 325.311 2.564 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2F)c(Cl)c1 ZINC001259107737 1316210630 /nfs/dbraw/zinc/21/06/30/1316210630.db2.gz OCWVGABAUBPINB-UHFFFAOYSA-N -1 3 347.705 2.825 20 30 EFEDHM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC001259124678 1316212266 /nfs/dbraw/zinc/21/22/66/1316212266.db2.gz DCZVGFUFPNZDNQ-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM N#Cc1cccc(S(=O)(=O)[N-][C@H](c2cccnc2)C(F)(F)F)c1 ZINC001259126513 1316212664 /nfs/dbraw/zinc/21/26/64/1316212664.db2.gz QFJCECVKCCCAAR-CYBMUJFWSA-N -1 3 341.314 2.535 20 30 EFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)nnc2Cl)ccc1F ZINC001259411926 1316239256 /nfs/dbraw/zinc/23/92/56/1316239256.db2.gz LRTMTAQHHPZMCS-UHFFFAOYSA-N -1 3 347.158 2.595 20 30 EFEDHM N#Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC001259500201 1316252079 /nfs/dbraw/zinc/25/20/79/1316252079.db2.gz MGFUPXIAJRBQGZ-UHFFFAOYSA-N -1 3 330.262 2.915 20 30 EFEDHM N#Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1F ZINC001259500315 1316252156 /nfs/dbraw/zinc/25/21/56/1316252156.db2.gz QOZSIJLBLJLKAD-UHFFFAOYSA-N -1 3 330.262 2.915 20 30 EFEDHM Cc1nc2c([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cccn2c1C ZINC001260039742 1316310081 /nfs/dbraw/zinc/31/00/81/1316310081.db2.gz VQJFFPCUZBXPLH-UHFFFAOYSA-N -1 3 340.408 2.765 20 30 EFEDHM CC(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001260382049 1316335957 /nfs/dbraw/zinc/33/59/57/1316335957.db2.gz OZBLGTMXNDAGBT-LBPRGKRZSA-N -1 3 349.225 2.805 20 30 EFEDHM N#Cc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1F ZINC001260452401 1316339763 /nfs/dbraw/zinc/33/97/63/1316339763.db2.gz WCWMKZUPZOKYIH-UHFFFAOYSA-N -1 3 344.323 2.605 20 30 EFEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2ccccc2F)cc1Cl ZINC001260622875 1316349322 /nfs/dbraw/zinc/34/93/22/1316349322.db2.gz XGAOYJGFDLPJHX-UHFFFAOYSA-N -1 3 325.752 2.688 20 30 EFEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)Cc2ccccc2F)c1F ZINC001260626878 1316349949 /nfs/dbraw/zinc/34/99/49/1316349949.db2.gz ADTYKUMYRIRORI-UHFFFAOYSA-N -1 3 326.299 2.917 20 30 EFEDHM O=C1C=C([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCC1 ZINC001261011062 1316384742 /nfs/dbraw/zinc/38/47/42/1316384742.db2.gz FMUDZRNEODIDDM-UHFFFAOYSA-N -1 3 337.294 2.760 20 30 EFEDHM C=CCCC1(C(=O)N2C[C@@H](C)[C@@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC001072685323 1316407996 /nfs/dbraw/zinc/40/79/96/1316407996.db2.gz RRILRYQQYSAIMJ-ZBFHGGJFSA-N -1 3 342.439 2.715 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1Cc2ccccc2C1 ZINC001263285700 1316526773 /nfs/dbraw/zinc/52/67/73/1316526773.db2.gz MHFVNYWDKHWHSV-UHFFFAOYSA-N -1 3 348.410 2.845 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](C)C(C)(C)C1 ZINC001263316077 1316529783 /nfs/dbraw/zinc/52/97/83/1316529783.db2.gz MNVSIGPWOAJALC-CYBMUJFWSA-N -1 3 342.447 2.889 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)ccc1N(C)C ZINC001318918297 1328741608 /nfs/dbraw/zinc/74/16/08/1328741608.db2.gz HXBKJCYMEIPCFL-UHFFFAOYSA-N -1 3 329.425 2.928 20 30 EFEDHM N#Cc1cccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001290746698 1321951368 /nfs/dbraw/zinc/95/13/68/1321951368.db2.gz AKEVWNOGXUNGLH-UHFFFAOYSA-N -1 3 339.301 2.608 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001292432553 1322075598 /nfs/dbraw/zinc/07/55/98/1322075598.db2.gz HPQDWRPCSZRMBN-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001292432553 1322075602 /nfs/dbraw/zinc/07/56/02/1322075602.db2.gz HPQDWRPCSZRMBN-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM COc1cc(C(=O)/C=C\c2cccnc2N(C)C)c(OC)cc1[O-] ZINC001323088809 1329510831 /nfs/dbraw/zinc/51/08/31/1329510831.db2.gz TVLDFJWSOGLNTL-FPLPWBNLSA-N -1 3 328.368 2.767 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCc3cnn(C(C)C)c32)c1[O-] ZINC001325525938 1329694219 /nfs/dbraw/zinc/69/42/19/1329694219.db2.gz NBKGPMFPQQXIEP-FCASDWRQSA-N -1 3 328.416 2.862 20 30 EFEDHM C=CCO[C@H]1CCN(c2c(C(=O)[O-])cnc3ccc(OC)cc32)C1 ZINC001327205674 1330441839 /nfs/dbraw/zinc/44/18/39/1330441839.db2.gz HPAMYKBVHIKSAL-ZDUSSCGKSA-N -1 3 328.368 2.723 20 30 EFEDHM Cc1nn(CCO)c(C)c1C=NNc1nc2ccccc2[n-]c1=S ZINC001329190261 1330678682 /nfs/dbraw/zinc/67/86/82/1330678682.db2.gz DWBBFQBKGWQRAV-UHFFFAOYSA-N -1 3 342.428 2.544 20 30 EFEDHM CC(C)(C)OC(=O)NC1(C(=O)N([O-])Cc2ccc(F)cc2)CCC1 ZINC001334070324 1331244664 /nfs/dbraw/zinc/24/46/64/1331244664.db2.gz IHOOOCFALOGSKV-UHFFFAOYSA-N -1 3 338.379 2.991 20 30 EFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(C)nc1 ZINC001337986450 1331628544 /nfs/dbraw/zinc/62/85/44/1331628544.db2.gz CWMJTNSHHBFMKV-UHFFFAOYSA-N -1 3 340.408 2.744 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCSCC3)n2C)c1[O-] ZINC001338675564 1331724645 /nfs/dbraw/zinc/72/46/45/1331724645.db2.gz MFRXYKLUHIENCB-UHFFFAOYSA-N -1 3 330.457 2.860 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C1CCC(C)CC1 ZINC001339069754 1331782667 /nfs/dbraw/zinc/78/26/67/1331782667.db2.gz QIHINCSMPSHITQ-UHFFFAOYSA-N -1 3 342.447 2.950 20 30 EFEDHM O=C(C1CC1)N1CCC[C@H]1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001339281832 1331834102 /nfs/dbraw/zinc/83/41/02/1331834102.db2.gz WECPIMZUYLINCE-SFHVURJKSA-N -1 3 338.407 2.959 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@@H](CC)C3)n2C)c1[O-] ZINC001340035449 1332131035 /nfs/dbraw/zinc/13/10/35/1332131035.db2.gz IACYAEQJBVBLSA-HNNXBMFYSA-N -1 3 342.443 2.922 20 30 EFEDHM C#CCN(c1nnc(-c2c[n-]oc2=O)n1CC)[C@H]1CCc2ccccc21 ZINC001340187977 1332151063 /nfs/dbraw/zinc/15/10/63/1332151063.db2.gz XUXHCEBATZPKIX-INIZCTEOSA-N -1 3 349.394 2.786 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc(CC(C)C)o2)ccc1F ZINC001341566157 1332268673 /nfs/dbraw/zinc/26/86/73/1332268673.db2.gz BXVQJOPFHBEVGS-UHFFFAOYSA-N -1 3 339.392 2.539 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](CC(C)C)C1 ZINC001342150229 1332310222 /nfs/dbraw/zinc/31/02/22/1332310222.db2.gz PUBMMGNXPIBOLO-AWEZNQCLSA-N -1 3 342.447 2.889 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1Cc2ccccc2[C@@H](C)C1 ZINC001342149392 1332310529 /nfs/dbraw/zinc/31/05/29/1332310529.db2.gz GOBURGNEQQFJEH-ZDUSSCGKSA-N -1 3 348.410 2.750 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1Cc2ccccc2[C@H](C)C1 ZINC001342198670 1332316329 /nfs/dbraw/zinc/31/63/29/1332316329.db2.gz WYHVTFORSQWLQJ-GFCCVEGCSA-N -1 3 337.383 2.948 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cncc(OCC(F)F)c1 ZINC001343455634 1332348669 /nfs/dbraw/zinc/34/86/69/1332348669.db2.gz FGXCFJDLZPNFFH-AWEZNQCLSA-N -1 3 345.305 2.687 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCc2ccsc2C1 ZINC001343735388 1332374952 /nfs/dbraw/zinc/37/49/52/1332374952.db2.gz XBRICWSBDSXLPF-UHFFFAOYSA-N -1 3 343.412 2.839 20 30 EFEDHM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc(N)c2ccccc2n1 ZINC001344555821 1332462804 /nfs/dbraw/zinc/46/28/04/1332462804.db2.gz CJSXDHNLBDQLQF-HNNXBMFYSA-N -1 3 330.347 2.732 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1cnn(-c2ccccc2)c1COC ZINC001344863108 1332489174 /nfs/dbraw/zinc/48/91/74/1332489174.db2.gz FLHXOHGWOSRWCT-OAHLLOKOSA-N -1 3 349.394 2.725 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1cnn(-c2ccccc2)c1COC ZINC001344863107 1332489218 /nfs/dbraw/zinc/48/92/18/1332489218.db2.gz FLHXOHGWOSRWCT-HNNXBMFYSA-N -1 3 349.394 2.725 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)C1CC1 ZINC001345973103 1332589133 /nfs/dbraw/zinc/58/91/33/1332589133.db2.gz FGTLSXLEKKYAPY-LLVKDONJSA-N -1 3 328.420 2.560 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1ccoc1C ZINC001346354701 1332628394 /nfs/dbraw/zinc/62/83/94/1332628394.db2.gz FBNYRVYODCNVRU-UHFFFAOYSA-N -1 3 340.387 2.555 20 30 EFEDHM CC#CC[C@@H](NCc1cc(C)c(F)cc1Br)C(=O)[O-] ZINC001350668537 1333111378 /nfs/dbraw/zinc/11/13/78/1333111378.db2.gz RWPJKEUVGCYBPC-CYBMUJFWSA-N -1 3 328.181 2.853 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccccc2[C@@H]1C ZINC001351722656 1333275490 /nfs/dbraw/zinc/27/54/90/1333275490.db2.gz FIBYTHJSDNRWBA-ZDUSSCGKSA-N -1 3 348.410 2.750 20 30 EFEDHM CC1CC(C(=O)N[C@H]2CCCN([O-])C2=O)(c2cccc(Cl)c2)C1 ZINC000848131388 1334343534 /nfs/dbraw/zinc/34/35/34/1334343534.db2.gz FBFXTENIVUEJAM-WKXXDYOBSA-N -1 3 336.819 2.504 20 30 EFEDHM CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)c1cccc2ccccc21 ZINC000848132090 1334344492 /nfs/dbraw/zinc/34/44/92/1334344492.db2.gz NKKGLEKBBOPVJU-MRXNPFEDSA-N -1 3 326.396 2.614 20 30 EFEDHM C[C@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(Cl)c(Cl)c1 ZINC000848135203 1334348522 /nfs/dbraw/zinc/34/85/22/1334348522.db2.gz AQMJJSCTKVFUTH-UFBFGSQYSA-N -1 3 331.199 2.593 20 30 EFEDHM C[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1c(Cl)cccc1Cl ZINC000848139335 1334352173 /nfs/dbraw/zinc/35/21/73/1334352173.db2.gz UEXBAJJEFIJKSQ-LDYMZIIASA-N -1 3 331.199 2.593 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](C)C[C@@H]1CC ZINC001356139754 1334970068 /nfs/dbraw/zinc/97/00/68/1334970068.db2.gz NKYQAYPRRKYIKM-AAEUAGOBSA-N -1 3 328.420 2.560 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccccc2C1 ZINC001356381617 1335028779 /nfs/dbraw/zinc/02/87/79/1335028779.db2.gz QWYGNELEYCLFKY-UHFFFAOYSA-N -1 3 348.410 2.580 20 30 EFEDHM N#CC(=C([O-])c1cnnn1-c1ccccc1Cl)c1cccc(F)n1 ZINC001357598445 1335319522 /nfs/dbraw/zinc/31/95/22/1335319522.db2.gz HKAFGMBLTGBYPS-JTQLQIEISA-N -1 3 341.733 2.945 20 30 EFEDHM COc1cc(C(=O)/C=C\c2ccnn2CC2CC2)c(OC)cc1[O-] ZINC000849246875 1335576713 /nfs/dbraw/zinc/57/67/13/1335576713.db2.gz MPNMZAHUXMUBRV-WAYWQWQTSA-N -1 3 328.368 2.912 20 30 EFEDHM C#CCOc1cccc([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)c1 ZINC000849307134 1335592008 /nfs/dbraw/zinc/59/20/08/1335592008.db2.gz JQYYBISXUMIMKR-KRWDZBQOSA-N -1 3 337.441 2.646 20 30 EFEDHM N#Cc1c([N-]C(=O)c2ccc(Br)o2)ncc2c1COCC2 ZINC001361515358 1336138662 /nfs/dbraw/zinc/13/86/62/1336138662.db2.gz AQPLXWKQYXHGJX-UHFFFAOYSA-N -1 3 348.156 2.634 20 30 EFEDHM CCSCc1cc(C(=O)[N-]c2ncc3c(c2C#N)COCC3)no1 ZINC001361526031 1336148164 /nfs/dbraw/zinc/14/81/64/1336148164.db2.gz NVNNREQLXLKCAP-UHFFFAOYSA-N -1 3 344.396 2.519 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1noc2c1CCCC2 ZINC001361817001 1336355059 /nfs/dbraw/zinc/35/50/59/1336355059.db2.gz MKMWEWZPHYPNHB-UHFFFAOYSA-N -1 3 340.383 2.714 20 30 EFEDHM CC(C)[C@H](C#N)N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001362211869 1336555448 /nfs/dbraw/zinc/55/54/48/1336555448.db2.gz BFPVSMBQBLISPF-HNNXBMFYSA-N -1 3 343.452 2.913 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@]2(C#N)CC23CCCC3)[n-]n1 ZINC001362593227 1336667035 /nfs/dbraw/zinc/66/70/35/1336667035.db2.gz DGTIZWXOKVXFRS-QGZVFWFLSA-N -1 3 330.388 2.778 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@]2(C#N)CC23CCCC3)n[n-]1 ZINC001362593227 1336667038 /nfs/dbraw/zinc/66/70/38/1336667038.db2.gz DGTIZWXOKVXFRS-QGZVFWFLSA-N -1 3 330.388 2.778 20 30 EFEDHM CN(CCN(C)C(=O)c1ccccc1[O-])Cc1ccc(C#N)s1 ZINC001401357548 1362706646 /nfs/dbraw/zinc/70/66/46/1362706646.db2.gz VTEDZIGPSXDNIP-UHFFFAOYSA-N -1 3 329.425 2.529 20 30 EFEDHM CN(CCCN(C)C(=O)c1ccccc1[O-])Cc1ccccc1C#N ZINC001407874004 1369334741 /nfs/dbraw/zinc/33/47/41/1369334741.db2.gz CCTWOOYYCRLDDC-UHFFFAOYSA-N -1 3 337.423 2.858 20 30 EFEDHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(C#N)cc2)cc1F ZINC001414303213 1370195920 /nfs/dbraw/zinc/19/59/20/1370195920.db2.gz SYIUAAZNEQGCOL-UHFFFAOYSA-N -1 3 336.363 2.666 20 30 EFEDHM Cn1nccc1[C@H]1OCCC[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001553255928 1414752865 /nfs/dbraw/zinc/75/28/65/1414752865.db2.gz MGGRNNOVPLPYLQ-BBRMVZONSA-N -1 3 349.818 2.959 20 30 EFEDHM COc1ccc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)cc1C#N ZINC001559025982 1415218846 /nfs/dbraw/zinc/21/88/46/1415218846.db2.gz PVZNOFMALMHBBN-UHFFFAOYSA-N -1 3 333.347 2.969 20 30 EFEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1F ZINC000126425907 1417211365 /nfs/dbraw/zinc/21/13/65/1417211365.db2.gz OJMZDQZABGVCQM-UHFFFAOYSA-N -1 3 338.335 2.840 20 30 EFEDHM C=CCN(Cc1cccs1)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819745425 1442107854 /nfs/dbraw/zinc/10/78/54/1442107854.db2.gz CDZHFGVOQONNTP-MRXNPFEDSA-N -1 3 341.440 2.650 20 30 EFEDHM C=CCN(Cc1cccs1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819745425 1442107857 /nfs/dbraw/zinc/10/78/57/1442107857.db2.gz CDZHFGVOQONNTP-MRXNPFEDSA-N -1 3 341.440 2.650 20 30 EFEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000023346335 712903497 /nfs/dbraw/zinc/90/34/97/712903497.db2.gz WFKFGJXZZWQWCJ-MGPLVRAMSA-N -1 3 333.413 2.829 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(Cc2ccoc2)C1 ZINC000890568062 713024371 /nfs/dbraw/zinc/02/43/71/713024371.db2.gz QADRCGBBXHNLRU-UHFFFAOYSA-N -1 3 339.395 2.502 20 30 EFEDHM C[C@@H](NC(=O)c1ccccc1[O-])C1CN(Cc2ccccc2C#N)C1 ZINC000969314395 713033090 /nfs/dbraw/zinc/03/30/90/713033090.db2.gz VIHPWMKYNHCVJZ-CQSZACIVSA-N -1 3 335.407 2.514 20 30 EFEDHM COc1cc(C=NNCCOC(C)C)cc(Br)c1[O-] ZINC000778548135 713458836 /nfs/dbraw/zinc/45/88/36/713458836.db2.gz QREYTEYIYVURIW-UHFFFAOYSA-N -1 3 331.210 2.512 20 30 EFEDHM C#CCCCS(=O)(=O)[N-]c1cc(CCc2ccccc2C)[nH]n1 ZINC000840946753 717981668 /nfs/dbraw/zinc/98/16/68/717981668.db2.gz NWTWOUORXURBCG-UHFFFAOYSA-N -1 3 331.441 2.658 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000971383366 714546862 /nfs/dbraw/zinc/54/68/62/714546862.db2.gz WJQIUALSAWYFSY-GDBMZVCRSA-N -1 3 342.439 2.667 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccccc3[O-])C2)C1 ZINC000980946414 717997619 /nfs/dbraw/zinc/99/76/19/717997619.db2.gz GVBBGFUUTHWQSU-LSDHHAIUSA-N -1 3 342.439 2.763 20 30 EFEDHM N#Cc1ccc(NC(=O)COC(=O)c2ccc([O-])cc2)cc1Cl ZINC000003507718 715168672 /nfs/dbraw/zinc/16/86/72/715168672.db2.gz JOARLXROKWUCSM-UHFFFAOYSA-N -1 3 330.727 2.713 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])C1 ZINC000976295380 715478780 /nfs/dbraw/zinc/47/87/80/715478780.db2.gz SAZJTAKDHKDPDM-HZPDHXFCSA-N -1 3 342.439 2.906 20 30 EFEDHM N#CCC[C@@H](N/C=C1/C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000158310219 715504970 /nfs/dbraw/zinc/50/49/70/715504970.db2.gz HYXQAVDOOMRRSZ-VJSYINPZSA-N -1 3 331.375 2.932 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC000977394341 716156901 /nfs/dbraw/zinc/15/69/01/716156901.db2.gz BNSVWTDWKVDUDR-LIRRHRJNSA-N -1 3 330.428 2.667 20 30 EFEDHM C=C1CC(c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)C1 ZINC000896889948 723581209 /nfs/dbraw/zinc/58/12/09/723581209.db2.gz FKGHCSFRRBKMRA-LBPRGKRZSA-N -1 3 333.413 2.851 20 30 EFEDHM N#Cc1ccc(CN2CCC[C@@H]2CNC(=O)c2ccccc2[O-])s1 ZINC001027761119 716871162 /nfs/dbraw/zinc/87/11/62/716871162.db2.gz HMOUBOHBOSBBAY-CYBMUJFWSA-N -1 3 341.436 2.720 20 30 EFEDHM N#CCC[C@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000255920823 718369915 /nfs/dbraw/zinc/36/99/15/718369915.db2.gz HYXQAVDOOMRRSZ-FDWYHIAWSA-N -1 3 331.375 2.932 20 30 EFEDHM CCC(=O)N1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000122904574 720027825 /nfs/dbraw/zinc/02/78/25/720027825.db2.gz VOVZOIOXECQYAT-WIJRQFRKSA-N -1 3 325.206 2.585 20 30 EFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@H]1C1CCCC1 ZINC000330102332 720828239 /nfs/dbraw/zinc/82/82/39/720828239.db2.gz FTIWWZWVYPXCDF-JTQLQIEISA-N -1 3 331.342 2.892 20 30 EFEDHM C#CCOc1ccc2ccccc2c1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000917556201 728759806 /nfs/dbraw/zinc/75/98/06/728759806.db2.gz WAVRHLKDAMZMTL-UHFFFAOYSA-N -1 3 342.362 2.964 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196545 722886985 /nfs/dbraw/zinc/88/69/85/722886985.db2.gz XSKQOWMFMCMUGP-HOTGVXAUSA-N -1 3 344.455 2.963 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196446 722887010 /nfs/dbraw/zinc/88/70/10/722887010.db2.gz WCRZNVUQMTYOIE-QRWLVFNGSA-N -1 3 344.455 2.963 20 30 EFEDHM C=CC(C)(C)CC(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196626 722887182 /nfs/dbraw/zinc/88/71/82/722887182.db2.gz ZALSMDROQHGGOC-HNNXBMFYSA-N -1 3 344.455 2.963 20 30 EFEDHM O=C(c1ccccc1[O-])N1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC001029219305 723099251 /nfs/dbraw/zinc/09/92/51/723099251.db2.gz SYEUJNOVDGQQQP-KDURUIRLSA-N -1 3 346.430 2.733 20 30 EFEDHM N#Cc1cccc(OCCCCC(=O)[N-]OCc2ccccn2)c1 ZINC000909531369 723106283 /nfs/dbraw/zinc/10/62/83/723106283.db2.gz FWRWYSUZOPKWBR-UHFFFAOYSA-N -1 3 325.368 2.750 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC[C@H](N(C)C(=O)c3ccccc3[O-])C2)C1 ZINC000984620919 723187367 /nfs/dbraw/zinc/18/73/67/723187367.db2.gz WBTJQNPUYCLZQV-HNNXBMFYSA-N -1 3 342.439 2.812 20 30 EFEDHM Cc1ccc(OCc2nc(CN[C@@H]3CCCN([O-])C3=O)cs2)cc1 ZINC000895167566 723516701 /nfs/dbraw/zinc/51/67/01/723516701.db2.gz YLTXDXCXAXEWNV-OAHLLOKOSA-N -1 3 347.440 2.500 20 30 EFEDHM Cc1ncc(CO)c(/C=N\CCOc2ccc(F)c(Cl)c2)c1[O-] ZINC000840706832 723569895 /nfs/dbraw/zinc/56/98/95/723569895.db2.gz LBDQEGUUNLEVEB-UWVJOHFNSA-N -1 3 338.766 2.878 20 30 EFEDHM O=C1[C@H](NCc2cc(Cl)cc(Br)c2)CCCN1[O-] ZINC000895192896 723860808 /nfs/dbraw/zinc/86/08/08/723860808.db2.gz KQWOACQSFNWSOQ-LLVKDONJSA-N -1 3 333.613 2.572 20 30 EFEDHM CC(=NNc1nc2ccccc2c(=O)n1C)c1ccc([O-])c(F)c1 ZINC000728426174 724012923 /nfs/dbraw/zinc/01/29/23/724012923.db2.gz WOCNUKMZRBSZKZ-UHFFFAOYSA-N -1 3 326.331 2.614 20 30 EFEDHM C#Cc1cccc(NC(=O)CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000918344775 728868420 /nfs/dbraw/zinc/86/84/20/728868420.db2.gz MFMQADQWKKWFPC-UHFFFAOYSA-N -1 3 336.391 2.865 20 30 EFEDHM COC(=O)[C@H](C)c1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000840713873 724050775 /nfs/dbraw/zinc/05/07/75/724050775.db2.gz VVWMUTSOEIETNL-LLVKDONJSA-N -1 3 328.368 2.615 20 30 EFEDHM N#Cc1ccc(N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)cc1 ZINC000895461038 724144134 /nfs/dbraw/zinc/14/41/34/724144134.db2.gz KQIFNOFEGGOAEF-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccc([N+](=O)[O-])cc1Cl ZINC000727650480 724290540 /nfs/dbraw/zinc/29/05/40/724290540.db2.gz ZCRWYVVVUPIGOD-UHFFFAOYSA-N -1 3 332.703 2.722 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)c1 ZINC000127191525 724322696 /nfs/dbraw/zinc/32/26/96/724322696.db2.gz KCOOOCBVUXLJBB-OAHLLOKOSA-N -1 3 340.383 2.608 20 30 EFEDHM C=C(C)CCC(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001059745969 724914024 /nfs/dbraw/zinc/91/40/24/724914024.db2.gz LTOXZWUIDYWBTJ-HNNXBMFYSA-N -1 3 330.428 2.717 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC1(Cl)Cl ZINC000913865795 725905254 /nfs/dbraw/zinc/90/52/54/725905254.db2.gz UNRBGMSNWFGTEC-JTQLQIEISA-N -1 3 342.226 2.518 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@H](CN(C)C(=O)c3ccccc3[O-])C2)C1 ZINC000988319461 726175449 /nfs/dbraw/zinc/17/54/49/726175449.db2.gz OWCSTKSUHXLYKB-OAHLLOKOSA-N -1 3 342.439 2.669 20 30 EFEDHM N#CCCn1cc(C(=O)COC(=O)c2cncc([O-])c2)c2ccccc21 ZINC000731916405 726955940 /nfs/dbraw/zinc/95/59/40/726955940.db2.gz UAINQSAYUQDQKS-UHFFFAOYSA-N -1 3 349.346 2.695 20 30 EFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@](F)(C#N)C2)s1 ZINC000907634359 726978991 /nfs/dbraw/zinc/97/89/91/726978991.db2.gz AQWPQAYICPQJBB-AWEZNQCLSA-N -1 3 340.380 2.568 20 30 EFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccsc2)cc1 ZINC000130401232 727107982 /nfs/dbraw/zinc/10/79/82/727107982.db2.gz JECCBWBRAXILHA-CQSZACIVSA-N -1 3 342.376 2.886 20 30 EFEDHM NC(=O)c1ccccc1N1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000732528999 727144901 /nfs/dbraw/zinc/14/49/01/727144901.db2.gz JPVOQEWFNWMIND-YVJZOELXSA-N -1 3 343.814 2.842 20 30 EFEDHM N#Cc1ccc(NC[C@@H]2CCCCN2C(=O)c2ccccc2[O-])nc1 ZINC001060204616 727305270 /nfs/dbraw/zinc/30/52/70/727305270.db2.gz YXHAXCURKGMZHE-HNNXBMFYSA-N -1 3 336.395 2.766 20 30 EFEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccn1 ZINC000910366097 727434533 /nfs/dbraw/zinc/43/45/33/727434533.db2.gz ZYVFFMKCSBFUSW-INIZCTEOSA-N -1 3 338.411 2.871 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N/Cc1nnc2n1CCCC2 ZINC000044011806 727450969 /nfs/dbraw/zinc/45/09/69/727450969.db2.gz QXTMRJRFGUXPLY-LZYBPNLTSA-N -1 3 335.205 2.702 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000993773544 727520550 /nfs/dbraw/zinc/52/05/50/727520550.db2.gz UPGADGADOFCQQE-STXHMFSFSA-N -1 3 344.455 2.819 20 30 EFEDHM Cc1ccc(C(=O)C=CC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000911809639 727602369 /nfs/dbraw/zinc/60/23/69/727602369.db2.gz NPFIZQUAXBSYQU-MDZDMXLPSA-N -1 3 339.395 2.589 20 30 EFEDHM C=CCNC(=S)NN=C(C)c1cc(Br)ccc1[O-] ZINC000915924282 727640542 /nfs/dbraw/zinc/64/05/42/727640542.db2.gz YIRKKXHGFSFZGL-UHFFFAOYSA-N -1 3 328.235 2.529 20 30 EFEDHM O=C1Nc2cc([O-])ccc2C1=NNc1cccc(Br)c1 ZINC000915958500 727642477 /nfs/dbraw/zinc/64/24/77/727642477.db2.gz HUWJYHAMYULURI-UHFFFAOYSA-N -1 3 332.157 2.923 20 30 EFEDHM Cc1cccc(C)c1NC(=S)NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000915937361 727643139 /nfs/dbraw/zinc/64/31/39/727643139.db2.gz GMAHGHAZLWPQRP-UHFFFAOYSA-N -1 3 340.408 2.652 20 30 EFEDHM CC(C)CN1c2ccccc2C(=N[N-]c2ccc([N+](=O)[O-])cn2)C1=O ZINC000915969777 727643716 /nfs/dbraw/zinc/64/37/16/727643716.db2.gz XIZSQHSBPXGPLU-UHFFFAOYSA-N -1 3 339.355 2.809 20 30 EFEDHM CC(=NNc1ccc(S(N)(=O)=O)cc1)c1cc(Cl)ccc1[O-] ZINC000916240983 727668482 /nfs/dbraw/zinc/66/84/82/727668482.db2.gz ACKDFGCNHBOYNZ-UHFFFAOYSA-N -1 3 339.804 2.529 20 30 EFEDHM COc1cc(C=NN2C(=O)c3ccccc3C2=O)cc(Cl)c1[O-] ZINC000916266476 727672115 /nfs/dbraw/zinc/67/21/15/727672115.db2.gz XAOCLSQAJOZDFK-UHFFFAOYSA-N -1 3 330.727 2.684 20 30 EFEDHM COc1cc(C=Nn2c(C)nc3ccccc3c2=O)cc(Cl)c1[O-] ZINC000916293405 727674548 /nfs/dbraw/zinc/67/45/48/727674548.db2.gz NOHBZYHMSRSQBU-UHFFFAOYSA-N -1 3 343.770 2.955 20 30 EFEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccco1 ZINC000916320782 727676876 /nfs/dbraw/zinc/67/68/76/727676876.db2.gz JQHCNEWZHYEHJJ-CYBMUJFWSA-N -1 3 328.353 2.555 20 30 EFEDHM O=C1C(=N[N-]c2cnccn2)c2ccccc2N1Cc1ccccc1 ZINC000912958981 727762317 /nfs/dbraw/zinc/76/23/17/727762317.db2.gz RZJNKKDUNCBJNK-UHFFFAOYSA-N -1 3 329.363 2.840 20 30 EFEDHM C=CCCCC(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060260545 727944216 /nfs/dbraw/zinc/94/42/16/727944216.db2.gz DKUNJYQWMAVTDP-HNNXBMFYSA-N -1 3 330.428 2.717 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCSC(F)(F)F)c(Cl)c1 ZINC000183504700 728133803 /nfs/dbraw/zinc/13/38/03/728133803.db2.gz AHEUERYHFSHQLW-UHFFFAOYSA-N -1 3 344.767 2.743 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000129912255 728412338 /nfs/dbraw/zinc/41/23/38/728412338.db2.gz VQUFWHJRJWNDNK-CYBMUJFWSA-N -1 3 339.307 2.565 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@H](CCNC(=O)c3ccccc3[O-])C2)C1 ZINC001060371473 728438817 /nfs/dbraw/zinc/43/88/17/728438817.db2.gz ZOIYOIRIEMQEAE-HNNXBMFYSA-N -1 3 342.439 2.717 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1OC ZINC000130036919 728661206 /nfs/dbraw/zinc/66/12/06/728661206.db2.gz QZVAQAZCHVQSLP-CQSZACIVSA-N -1 3 342.351 2.875 20 30 EFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000233357702 729489400 /nfs/dbraw/zinc/48/94/00/729489400.db2.gz HNJOXIOCPPDHHK-SNVBAGLBSA-N -1 3 334.210 2.668 20 30 EFEDHM CC(N=Nc1ncnc2ccsc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823963225 946527922 /nfs/dbraw/zinc/52/79/22/946527922.db2.gz YMPHLQQYIUHPPP-UHFFFAOYSA-N -1 3 342.413 2.769 20 30 EFEDHM C#Cc1cccc(NC(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)c1 ZINC001573290361 946902780 /nfs/dbraw/zinc/90/27/80/946902780.db2.gz JDIAUCMPNLQGBL-UHFFFAOYSA-N -1 3 328.335 2.582 20 30 EFEDHM C#Cc1cccc(NC(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)c1 ZINC001573290361 946902789 /nfs/dbraw/zinc/90/27/89/946902789.db2.gz JDIAUCMPNLQGBL-UHFFFAOYSA-N -1 3 328.335 2.582 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2scc(C)c2-c2nnn[n-]2)c1 ZINC001573291007 946914541 /nfs/dbraw/zinc/91/45/41/946914541.db2.gz VDQCBKYLTLLMQM-UHFFFAOYSA-N -1 3 338.396 2.886 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2scc(C)c2-c2nn[n-]n2)c1 ZINC001573291007 946914547 /nfs/dbraw/zinc/91/45/47/946914547.db2.gz VDQCBKYLTLLMQM-UHFFFAOYSA-N -1 3 338.396 2.886 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC001573291248 946918190 /nfs/dbraw/zinc/91/81/90/946918190.db2.gz ZGUTYQUMFKVLGP-UHFFFAOYSA-N -1 3 347.378 2.888 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1 ZINC001573291248 946918198 /nfs/dbraw/zinc/91/81/98/946918198.db2.gz ZGUTYQUMFKVLGP-UHFFFAOYSA-N -1 3 347.378 2.888 20 30 EFEDHM C=C1CCC(CNC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)CC1 ZINC001573295652 947025648 /nfs/dbraw/zinc/02/56/48/947025648.db2.gz GZVCFIMHYCHYPB-UHFFFAOYSA-N -1 3 325.416 2.960 20 30 EFEDHM C=C1CCC(CNC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)CC1 ZINC001573295652 947025658 /nfs/dbraw/zinc/02/56/58/947025658.db2.gz GZVCFIMHYCHYPB-UHFFFAOYSA-N -1 3 325.416 2.960 20 30 EFEDHM C#CCN1CCC(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CC1 ZINC001602700602 971319037 /nfs/dbraw/zinc/31/90/37/971319037.db2.gz ARUDBSAGPHDPPF-UHFFFAOYSA-N -1 3 346.452 2.609 20 30 EFEDHM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1C ZINC000825807661 947338970 /nfs/dbraw/zinc/33/89/70/947338970.db2.gz TVIIXZTUFQMCSX-FPLPWBNLSA-N -1 3 340.362 2.735 20 30 EFEDHM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1C ZINC000825807661 947338985 /nfs/dbraw/zinc/33/89/85/947338985.db2.gz TVIIXZTUFQMCSX-FPLPWBNLSA-N -1 3 340.362 2.735 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001573328565 947409526 /nfs/dbraw/zinc/40/95/26/947409526.db2.gz YONJOGVAXPOWMP-UHFFFAOYSA-N -1 3 334.811 2.637 20 30 EFEDHM C=CCCCC(=O)N[C@@H](C)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573334109 947446159 /nfs/dbraw/zinc/44/61/59/947446159.db2.gz JRDKOGMOFZVDCX-RYUDHWBXSA-N -1 3 346.410 2.667 20 30 EFEDHM C=CCCCC(=O)N[C@@H](C)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573334109 947446163 /nfs/dbraw/zinc/44/61/63/947446163.db2.gz JRDKOGMOFZVDCX-RYUDHWBXSA-N -1 3 346.410 2.667 20 30 EFEDHM Cc1c(Cl)cnc(NCc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826240345 947712717 /nfs/dbraw/zinc/71/27/17/947712717.db2.gz OBSXZJBSKXHIQW-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1c(Cl)cnc(NCc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826240345 947712722 /nfs/dbraw/zinc/71/27/22/947712722.db2.gz OBSXZJBSKXHIQW-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM N#C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000826380186 948175714 /nfs/dbraw/zinc/17/57/14/948175714.db2.gz QIKNTTWTNCZXNH-OFAQMXQXSA-N -1 3 337.383 2.896 20 30 EFEDHM N#C[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000826380186 948175723 /nfs/dbraw/zinc/17/57/23/948175723.db2.gz QIKNTTWTNCZXNH-OFAQMXQXSA-N -1 3 337.383 2.896 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCc1ccsc1 ZINC000826383577 948183532 /nfs/dbraw/zinc/18/35/32/948183532.db2.gz HLWMQWSVGGQCOB-UHFFFAOYSA-N -1 3 343.441 2.502 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCc1ccsc1 ZINC000826383577 948183540 /nfs/dbraw/zinc/18/35/40/948183540.db2.gz HLWMQWSVGGQCOB-UHFFFAOYSA-N -1 3 343.441 2.502 20 30 EFEDHM O=C1C(=Cc2ccccc2-c2nnn[n-]2)COc2c(F)ccc(F)c21 ZINC000826475356 948376247 /nfs/dbraw/zinc/37/62/47/948376247.db2.gz CSQRQQNYLQUMBH-JXMROGBWSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1C(=Cc2ccccc2-c2nn[n-]n2)COc2c(F)ccc(F)c21 ZINC000826475356 948376253 /nfs/dbraw/zinc/37/62/53/948376253.db2.gz CSQRQQNYLQUMBH-JXMROGBWSA-N -1 3 340.289 2.804 20 30 EFEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)[C@H](C)C(C)(C)C ZINC001573756717 948824973 /nfs/dbraw/zinc/82/49/73/948824973.db2.gz UNRGCMMYLIIYFN-MNOVXSKESA-N -1 3 326.404 2.995 20 30 EFEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)[C@H](C)C(C)(C)C ZINC001573756717 948824990 /nfs/dbraw/zinc/82/49/90/948824990.db2.gz UNRGCMMYLIIYFN-MNOVXSKESA-N -1 3 326.404 2.995 20 30 EFEDHM N#Cc1ccc(NC(=O)CCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1 ZINC001574487805 961689408 /nfs/dbraw/zinc/68/94/08/961689408.db2.gz IMHYUAJGAVDDIJ-SFHVURJKSA-N -1 3 349.390 2.571 20 30 EFEDHM N#Cc1ccc(NC(=O)CCN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001574487804 961690677 /nfs/dbraw/zinc/69/06/77/961690677.db2.gz IMHYUAJGAVDDIJ-GOSISDBHSA-N -1 3 349.390 2.571 20 30 EFEDHM C[C@@](CCF)(NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC001592507821 978329920 /nfs/dbraw/zinc/32/99/20/978329920.db2.gz WLVWCRRNRXWOCO-ZDUSSCGKSA-N -1 3 329.169 2.613 20 30 EFEDHM C=CCOc1ccc(CN2CCSC[C@H](C(=O)[O-])C2)cc1OC ZINC000901889480 980602975 /nfs/dbraw/zinc/60/29/75/980602975.db2.gz ACODYDDPXILIFF-CQSZACIVSA-N -1 3 337.441 2.510 20 30 EFEDHM C#CC[C@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC001588422998 983449814 /nfs/dbraw/zinc/44/98/14/983449814.db2.gz SUZCUCQKIBJVAX-NSHDSACASA-N -1 3 348.143 2.617 20 30 EFEDHM C#CCN(C)CCCNC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC001588463617 983491858 /nfs/dbraw/zinc/49/18/58/983491858.db2.gz FRHYOENMSMSTPW-UHFFFAOYSA-N -1 3 345.424 2.676 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C ZINC001588622623 983724089 /nfs/dbraw/zinc/72/40/89/983724089.db2.gz AIUNKKUGXJYNAT-OAHLLOKOSA-N -1 3 336.457 2.548 20 30 EFEDHM C=C[C@@H](N[C@@H]1CSCc2ccc(Br)cc21)C(=O)[O-] ZINC001588696601 983903524 /nfs/dbraw/zinc/90/35/24/983903524.db2.gz PONDMJOXHGDYJG-VXGBXAGGSA-N -1 3 328.231 2.966 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)[O-])cc1Br ZINC001588916869 984563896 /nfs/dbraw/zinc/56/38/96/984563896.db2.gz IJMDCCUJKBBOQC-KGLIPLIRSA-N -1 3 340.217 2.971 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1N[C@H](C(=O)[O-])c1ccccc1Br ZINC001588920208 984576480 /nfs/dbraw/zinc/57/64/80/984576480.db2.gz UZBIEAVNTZUGNS-AGIUHOORSA-N -1 3 326.190 2.508 20 30 EFEDHM CC(=O)[C@@](C#N)(CCN1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001589021154 985011954 /nfs/dbraw/zinc/01/19/54/985011954.db2.gz MGZHYDUEACUMJE-PXNSSMCTSA-N -1 3 340.423 2.614 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC001589335361 986208589 /nfs/dbraw/zinc/20/85/89/986208589.db2.gz PBTUMUIOWPEQEP-SJCJKPOMSA-N -1 3 326.352 2.599 20 30 EFEDHM CN(CCCOc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001598481977 992167578 /nfs/dbraw/zinc/16/75/78/992167578.db2.gz SSXKJRCKVJJCLZ-UHFFFAOYSA-N -1 3 325.368 2.552 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc([S@](C)=O)cc1 ZINC001593190467 994122569 /nfs/dbraw/zinc/12/25/69/994122569.db2.gz OOGSBNAHJFPCLV-FPWDIPAHSA-N -1 3 342.420 2.772 20 30 EFEDHM C[C@@](NCc1ccc(CC#N)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593296196 994695073 /nfs/dbraw/zinc/69/50/73/994695073.db2.gz JTHWOYWGMHXVAO-SFHVURJKSA-N -1 3 339.351 2.750 20 30 EFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(C)c(C#N)cn1 ZINC001577660042 1090113300 /nfs/dbraw/zinc/11/33/00/1090113300.db2.gz UDZYOWWJBNXTBN-UHFFFAOYSA-N -1 3 333.399 2.858 20 30 EFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(C)c(C#N)cn1 ZINC001577660042 1090113305 /nfs/dbraw/zinc/11/33/05/1090113305.db2.gz UDZYOWWJBNXTBN-UHFFFAOYSA-N -1 3 333.399 2.858 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1Oc1nc(C#N)c(Cl)s1 ZINC001579887074 1090715286 /nfs/dbraw/zinc/71/52/86/1090715286.db2.gz GZZVYDCRZAAXHY-UHFFFAOYSA-N -1 3 334.748 2.649 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1Oc1nc(C#N)c(Cl)s1 ZINC001579887074 1090715291 /nfs/dbraw/zinc/71/52/91/1090715291.db2.gz GZZVYDCRZAAXHY-UHFFFAOYSA-N -1 3 334.748 2.649 20 30 EFEDHM COc1ccccc1[C@@]1(C)C[C@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001580080002 1090766973 /nfs/dbraw/zinc/76/69/73/1090766973.db2.gz URQTUDYBNUJIST-VQIMIIECSA-N -1 3 346.394 2.889 20 30 EFEDHM COc1ccccc1[C@@]1(C)C[C@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001580080002 1090766977 /nfs/dbraw/zinc/76/69/77/1090766977.db2.gz URQTUDYBNUJIST-VQIMIIECSA-N -1 3 346.394 2.889 20 30 EFEDHM Cc1c(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC001580557978 1090947186 /nfs/dbraw/zinc/94/71/86/1090947186.db2.gz SBFDKRANXHLEOH-LBPRGKRZSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1c(NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC001580557978 1090947187 /nfs/dbraw/zinc/94/71/87/1090947187.db2.gz SBFDKRANXHLEOH-LBPRGKRZSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)cc(C)c1-c1nnn[n-]1 ZINC001580814408 1091017899 /nfs/dbraw/zinc/01/78/99/1091017899.db2.gz HILFZXQANAJUGK-HNNXBMFYSA-N -1 3 338.415 2.686 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C#N)C2CCCCC2)cc(C)c1-c1nn[n-]n1 ZINC001580814408 1091017905 /nfs/dbraw/zinc/01/79/05/1091017905.db2.gz HILFZXQANAJUGK-HNNXBMFYSA-N -1 3 338.415 2.686 20 30 EFEDHM Cc1cc(C(=O)N2Cc3cccc(C#N)c3C2)cc(C)c1-c1nnn[n-]1 ZINC001580816704 1091019607 /nfs/dbraw/zinc/01/96/07/1091019607.db2.gz XHXLULZRRQNPOM-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(C(=O)N2Cc3cccc(C#N)c3C2)cc(C)c1-c1nn[n-]n1 ZINC001580816704 1091019614 /nfs/dbraw/zinc/01/96/14/1091019614.db2.gz XHXLULZRRQNPOM-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)ncc1C#N ZINC001580885224 1091034532 /nfs/dbraw/zinc/03/45/32/1091034532.db2.gz LNITWDAWWPVCAG-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)ncc1C#N ZINC001580885224 1091034539 /nfs/dbraw/zinc/03/45/39/1091034539.db2.gz LNITWDAWWPVCAG-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001581137503 1091080340 /nfs/dbraw/zinc/08/03/40/1091080340.db2.gz AHNJZMHMFICFPZ-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001581200703 1091091349 /nfs/dbraw/zinc/09/13/49/1091091349.db2.gz VJNONDJNZQFAGG-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001581200703 1091091356 /nfs/dbraw/zinc/09/13/56/1091091356.db2.gz VJNONDJNZQFAGG-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1nc(NCCc2ccc(C#N)cc2)c(Cl)cc1-c1nnn[n-]1 ZINC001581524052 1091175574 /nfs/dbraw/zinc/17/55/74/1091175574.db2.gz POVFNGJWPVJRIU-UHFFFAOYSA-N -1 3 339.790 2.750 20 30 EFEDHM Cc1nc(NCCc2ccc(C#N)cc2)c(Cl)cc1-c1nn[n-]n1 ZINC001581524052 1091175579 /nfs/dbraw/zinc/17/55/79/1091175579.db2.gz POVFNGJWPVJRIU-UHFFFAOYSA-N -1 3 339.790 2.750 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2CCc3cc(F)ccc32)ccc1-c1nnn[n-]1 ZINC001581866799 1091323225 /nfs/dbraw/zinc/32/32/25/1091323225.db2.gz VPTJTSFDEXVJCZ-INIZCTEOSA-N -1 3 348.341 2.546 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2CCc3cc(F)ccc32)ccc1-c1nn[n-]n1 ZINC001581866799 1091323237 /nfs/dbraw/zinc/32/32/37/1091323237.db2.gz VPTJTSFDEXVJCZ-INIZCTEOSA-N -1 3 348.341 2.546 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1C1CC1 ZINC001581866809 1091323832 /nfs/dbraw/zinc/32/38/32/1091323832.db2.gz WBFBMRMGIRQSQL-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1C1CC1 ZINC001581866809 1091323838 /nfs/dbraw/zinc/32/38/38/1091323838.db2.gz WBFBMRMGIRQSQL-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1cc(NC(=O)c2cnc3ccccc3c2)ccc1-c1nnn[n-]1 ZINC001581870415 1091325425 /nfs/dbraw/zinc/32/54/25/1091325425.db2.gz AHRGMZIEYKFWBM-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(NC(=O)c2cnc3ccccc3c2)ccc1-c1nn[n-]n1 ZINC001581870415 1091325436 /nfs/dbraw/zinc/32/54/36/1091325436.db2.gz AHRGMZIEYKFWBM-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM COc1ccccc1-c1nnc([N-]C(=O)c2cnccc2C#N)s1 ZINC001583377446 1091982253 /nfs/dbraw/zinc/98/22/53/1091982253.db2.gz VIDMVFJVAHSWKG-UHFFFAOYSA-N -1 3 337.364 2.733 20 30 EFEDHM N#Cc1ccc(F)c([N-]C(=O)c2cnc(-c3ncccn3)s2)c1 ZINC001584674228 1092241881 /nfs/dbraw/zinc/24/18/81/1092241881.db2.gz GDQAURLSDKOECI-UHFFFAOYSA-N -1 3 325.328 2.863 20 30 EFEDHM Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)n1 ZINC001649764729 1092661123 /nfs/dbraw/zinc/66/11/23/1092661123.db2.gz FJLBMAUJVWADHZ-MRXNPFEDSA-N -1 3 336.395 2.684 20 30 EFEDHM C=C(C)CCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104410342 1092762251 /nfs/dbraw/zinc/76/22/51/1092762251.db2.gz GIWKAOMRAIQHSC-UHFFFAOYSA-N -1 3 348.403 2.893 20 30 EFEDHM COc1cc([N-]C(=O)c2ncoc2[C@H]2CCCO2)c(F)cc1C#N ZINC001649998438 1092865055 /nfs/dbraw/zinc/86/50/55/1092865055.db2.gz IJOQRUCXGHHQIP-GFCCVEGCSA-N -1 3 331.303 2.798 20 30 EFEDHM C#C[C@H](CCC)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588327040 1092924926 /nfs/dbraw/zinc/92/49/26/1092924926.db2.gz ANULSKGVPIUTNI-GFCCVEGCSA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@H](CCC)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588327040 1092924933 /nfs/dbraw/zinc/92/49/33/1092924933.db2.gz ANULSKGVPIUTNI-GFCCVEGCSA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@H](CC)OC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588327618 1092925239 /nfs/dbraw/zinc/92/52/39/1092925239.db2.gz NIUOYNUDVWDSSN-LLVKDONJSA-N -1 3 326.381 2.958 20 30 EFEDHM C#C[C@H](CC)OC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588327618 1092925250 /nfs/dbraw/zinc/92/52/50/1092925250.db2.gz NIUOYNUDVWDSSN-LLVKDONJSA-N -1 3 326.381 2.958 20 30 EFEDHM C#C[C@H](CC)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588326116 1092925351 /nfs/dbraw/zinc/92/53/51/1092925351.db2.gz FBWQJBVMRMTYKX-LLVKDONJSA-N -1 3 325.397 2.531 20 30 EFEDHM C#C[C@H](CC)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588326116 1092925361 /nfs/dbraw/zinc/92/53/61/1092925361.db2.gz FBWQJBVMRMTYKX-LLVKDONJSA-N -1 3 325.397 2.531 20 30 EFEDHM C#C[C@@H](CC)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588327850 1092925494 /nfs/dbraw/zinc/92/54/94/1092925494.db2.gz SEIFSZZKUYORDU-AWEZNQCLSA-N -1 3 349.350 2.623 20 30 EFEDHM C#C[C@@H](CC)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588327850 1092925501 /nfs/dbraw/zinc/92/55/01/1092925501.db2.gz SEIFSZZKUYORDU-AWEZNQCLSA-N -1 3 349.350 2.623 20 30 EFEDHM C#CC1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001588331037 1092925789 /nfs/dbraw/zinc/92/57/89/1092925789.db2.gz NQAXQGXOVSPTBQ-UHFFFAOYSA-N -1 3 346.847 2.562 20 30 EFEDHM C#CC1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001588331037 1092925800 /nfs/dbraw/zinc/92/58/00/1092925800.db2.gz NQAXQGXOVSPTBQ-UHFFFAOYSA-N -1 3 346.847 2.562 20 30 EFEDHM C#C[C@H]1CCCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588332679 1092927626 /nfs/dbraw/zinc/92/76/26/1092927626.db2.gz PIEHAJFHMMMMPR-JTQLQIEISA-N -1 3 346.847 2.562 20 30 EFEDHM C#C[C@H]1CCCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588332679 1092927637 /nfs/dbraw/zinc/92/76/37/1092927637.db2.gz PIEHAJFHMMMMPR-JTQLQIEISA-N -1 3 346.847 2.562 20 30 EFEDHM C#CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001588334261 1092928848 /nfs/dbraw/zinc/92/88/48/1092928848.db2.gz RNHFZRKEFRHNFJ-INIZCTEOSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001588334261 1092928859 /nfs/dbraw/zinc/92/88/59/1092928859.db2.gz RNHFZRKEFRHNFJ-INIZCTEOSA-N -1 3 335.342 2.500 20 30 EFEDHM C#C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC001588332710 1092929036 /nfs/dbraw/zinc/92/90/36/1092929036.db2.gz QJSDJDSTVIZWKE-LBPRGKRZSA-N -1 3 336.374 2.712 20 30 EFEDHM C#C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC001588332710 1092929054 /nfs/dbraw/zinc/92/90/54/1092929054.db2.gz QJSDJDSTVIZWKE-LBPRGKRZSA-N -1 3 336.374 2.712 20 30 EFEDHM C#CC[C@H](OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588333776 1092930051 /nfs/dbraw/zinc/93/00/51/1092930051.db2.gz DLSZOSIKSKHTTH-DOMZBBRYSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CC[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1)C(C)(C)C ZINC001588335112 1092930064 /nfs/dbraw/zinc/93/00/64/1092930064.db2.gz YHGNUOAWIUDWDS-OAHLLOKOSA-N -1 3 341.415 2.528 20 30 EFEDHM C#CC[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1)C(C)(C)C ZINC001588335112 1092930070 /nfs/dbraw/zinc/93/00/70/1092930070.db2.gz YHGNUOAWIUDWDS-OAHLLOKOSA-N -1 3 341.415 2.528 20 30 EFEDHM C#CCOc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588363114 1092931230 /nfs/dbraw/zinc/93/12/30/1092931230.db2.gz LFXJZAPAFFPXEZ-UHFFFAOYSA-N -1 3 334.339 2.523 20 30 EFEDHM C#CCOc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588363114 1092931231 /nfs/dbraw/zinc/93/12/31/1092931231.db2.gz LFXJZAPAFFPXEZ-UHFFFAOYSA-N -1 3 334.339 2.523 20 30 EFEDHM C#CCOCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588363742 1092932305 /nfs/dbraw/zinc/93/23/05/1092932305.db2.gz XZNPHDNLOVWJLV-UHFFFAOYSA-N -1 3 328.319 2.627 20 30 EFEDHM C#CCOCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588363742 1092932315 /nfs/dbraw/zinc/93/23/15/1092932315.db2.gz XZNPHDNLOVWJLV-UHFFFAOYSA-N -1 3 328.319 2.627 20 30 EFEDHM C#CCN(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001588349515 1092932806 /nfs/dbraw/zinc/93/28/06/1092932806.db2.gz QRTKKMUIAJQDSQ-UHFFFAOYSA-N -1 3 349.419 2.723 20 30 EFEDHM C#CCN(C)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001588349515 1092932814 /nfs/dbraw/zinc/93/28/14/1092932814.db2.gz QRTKKMUIAJQDSQ-UHFFFAOYSA-N -1 3 349.419 2.723 20 30 EFEDHM C#CCCOc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC001588347874 1092932916 /nfs/dbraw/zinc/93/29/16/1092932916.db2.gz YTMJFBPPHOROEI-UHFFFAOYSA-N -1 3 347.378 2.545 20 30 EFEDHM C#CCCOc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC001588347874 1092932921 /nfs/dbraw/zinc/93/29/21/1092932921.db2.gz YTMJFBPPHOROEI-UHFFFAOYSA-N -1 3 347.378 2.545 20 30 EFEDHM C#CCCCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001588345346 1092932988 /nfs/dbraw/zinc/93/29/88/1092932988.db2.gz AALWKPCMFOYDTE-UHFFFAOYSA-N -1 3 335.415 2.618 20 30 EFEDHM C#CCCCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001588345346 1092932995 /nfs/dbraw/zinc/93/29/95/1092932995.db2.gz AALWKPCMFOYDTE-UHFFFAOYSA-N -1 3 335.415 2.618 20 30 EFEDHM C#Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588365586 1092934490 /nfs/dbraw/zinc/93/44/90/1092934490.db2.gz ZGCZYHSEUZYIMN-ZDUSSCGKSA-N -1 3 331.379 2.681 20 30 EFEDHM C#Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588365586 1092934497 /nfs/dbraw/zinc/93/44/97/1092934497.db2.gz ZGCZYHSEUZYIMN-ZDUSSCGKSA-N -1 3 331.379 2.681 20 30 EFEDHM C#CCc1c(C)nn(-c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1C ZINC001588364005 1092934634 /nfs/dbraw/zinc/93/46/34/1092934634.db2.gz NHJSMGZITVENHQ-UHFFFAOYSA-N -1 3 346.316 2.864 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588375060 1092934769 /nfs/dbraw/zinc/93/47/69/1092934769.db2.gz COISLARSQKSXKK-GFCCVEGCSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588375060 1092934777 /nfs/dbraw/zinc/93/47/77/1092934777.db2.gz COISLARSQKSXKK-GFCCVEGCSA-N -1 3 332.367 2.731 20 30 EFEDHM C#C[C@H]1CC[C@H](Nc2nc(Br)ccc2-c2nnn[n-]2)CC1 ZINC001588364534 1092935674 /nfs/dbraw/zinc/93/56/74/1092935674.db2.gz FUXHLLBLLXOQAM-MGCOHNPYSA-N -1 3 347.220 2.628 20 30 EFEDHM C#C[C@H]1CC[C@H](Nc2nc(Br)ccc2-c2nn[n-]n2)CC1 ZINC001588364534 1092935680 /nfs/dbraw/zinc/93/56/80/1092935680.db2.gz FUXHLLBLLXOQAM-MGCOHNPYSA-N -1 3 347.220 2.628 20 30 EFEDHM c1ccc(-c2nnc(N=NCc3ccc(-c4nnn[n-]4)cc3)s2)cc1 ZINC001588384329 1092937574 /nfs/dbraw/zinc/93/75/74/1092937574.db2.gz GQFPIHBPZCOSKA-UHFFFAOYSA-N -1 3 348.395 2.831 20 30 EFEDHM c1ccc(-c2nnc(N=NCc3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC001588384329 1092937581 /nfs/dbraw/zinc/93/75/81/1092937581.db2.gz GQFPIHBPZCOSKA-UHFFFAOYSA-N -1 3 348.395 2.831 20 30 EFEDHM C#Cc1cncc(C(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)c1 ZINC001588379885 1092938497 /nfs/dbraw/zinc/93/84/97/1092938497.db2.gz PSCIDVKZHOGWPA-UHFFFAOYSA-N -1 3 340.346 2.649 20 30 EFEDHM C#Cc1cncc(C(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)c1 ZINC001588379885 1092938506 /nfs/dbraw/zinc/93/85/06/1092938506.db2.gz PSCIDVKZHOGWPA-UHFFFAOYSA-N -1 3 340.346 2.649 20 30 EFEDHM C=C(C)[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001588400566 1092939656 /nfs/dbraw/zinc/93/96/56/1092939656.db2.gz AVTKRNONHCQXGZ-CQSZACIVSA-N -1 3 344.325 2.520 20 30 EFEDHM C=C(C)[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(F)c(F)c1 ZINC001588400566 1092939665 /nfs/dbraw/zinc/93/96/65/1092939665.db2.gz AVTKRNONHCQXGZ-CQSZACIVSA-N -1 3 344.325 2.520 20 30 EFEDHM C=C(C)[C@H](NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001588400943 1092940542 /nfs/dbraw/zinc/94/05/42/1092940542.db2.gz JHDJBXNJZMJGQX-INIZCTEOSA-N -1 3 342.353 2.947 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588400696 1092940557 /nfs/dbraw/zinc/94/05/57/1092940557.db2.gz DRJKSMRVSQKZKD-ZWNOBZJWSA-N -1 3 334.811 2.617 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588400696 1092940568 /nfs/dbraw/zinc/94/05/68/1092940568.db2.gz DRJKSMRVSQKZKD-ZWNOBZJWSA-N -1 3 334.811 2.617 20 30 EFEDHM C=C(C)CCC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588412162 1092942397 /nfs/dbraw/zinc/94/23/97/1092942397.db2.gz SWACZAPOISYMEJ-UHFFFAOYSA-N -1 3 325.416 2.929 20 30 EFEDHM C=C(C)CCC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588412162 1092942406 /nfs/dbraw/zinc/94/24/06/1092942406.db2.gz SWACZAPOISYMEJ-UHFFFAOYSA-N -1 3 325.416 2.929 20 30 EFEDHM C=C(C)[C@H](CC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1)OCC ZINC001588402676 1092942816 /nfs/dbraw/zinc/94/28/16/1092942816.db2.gz JNOCRCJWXPSKQO-CJNGLKHVSA-N -1 3 343.431 2.757 20 30 EFEDHM C=C(C)[C@H](CC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1)OCC ZINC001588402676 1092942823 /nfs/dbraw/zinc/94/28/23/1092942823.db2.gz JNOCRCJWXPSKQO-CJNGLKHVSA-N -1 3 343.431 2.757 20 30 EFEDHM C=C(C)CCC(=O)NC[C@H](CC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588415756 1092943357 /nfs/dbraw/zinc/94/33/57/1092943357.db2.gz PVEFJRFSTYYEQR-LBPRGKRZSA-N -1 3 346.410 2.669 20 30 EFEDHM C=C(C)CCC(=O)NC[C@H](CC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588415756 1092943361 /nfs/dbraw/zinc/94/33/61/1092943361.db2.gz PVEFJRFSTYYEQR-LBPRGKRZSA-N -1 3 346.410 2.669 20 30 EFEDHM C=C(C)CONC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588429970 1092944462 /nfs/dbraw/zinc/94/44/62/1092944462.db2.gz PYJROJVISLSZOA-UHFFFAOYSA-N -1 3 329.385 2.627 20 30 EFEDHM C=C(C)CONC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588429970 1092944472 /nfs/dbraw/zinc/94/44/72/1092944472.db2.gz PYJROJVISLSZOA-UHFFFAOYSA-N -1 3 329.385 2.627 20 30 EFEDHM C=C(C)CCNC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588424795 1092945354 /nfs/dbraw/zinc/94/53/54/1092945354.db2.gz NLKOOWWVVFNHFF-OAHLLOKOSA-N -1 3 326.404 2.510 20 30 EFEDHM C=C(C)CCNC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588424795 1092945363 /nfs/dbraw/zinc/94/53/63/1092945363.db2.gz NLKOOWWVVFNHFF-OAHLLOKOSA-N -1 3 326.404 2.510 20 30 EFEDHM C=C(CNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC001588444300 1092946360 /nfs/dbraw/zinc/94/63/60/1092946360.db2.gz WGAWZJLGKPEBOS-UHFFFAOYSA-N -1 3 339.786 2.963 20 30 EFEDHM C=C(CNC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC001588444300 1092946365 /nfs/dbraw/zinc/94/63/65/1092946365.db2.gz WGAWZJLGKPEBOS-UHFFFAOYSA-N -1 3 339.786 2.963 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588456911 1092947627 /nfs/dbraw/zinc/94/76/27/1092947627.db2.gz ZUYKQMHGLGNTTG-BETUJISGSA-N -1 3 340.387 2.590 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588456911 1092947638 /nfs/dbraw/zinc/94/76/38/1092947638.db2.gz ZUYKQMHGLGNTTG-BETUJISGSA-N -1 3 340.387 2.590 20 30 EFEDHM C=C1CCC(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588462317 1092950527 /nfs/dbraw/zinc/95/05/27/1092950527.db2.gz LJBBGPRXTZNYKS-UHFFFAOYSA-N -1 3 325.416 2.662 20 30 EFEDHM C=C1CCC(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588462317 1092950533 /nfs/dbraw/zinc/95/05/33/1092950533.db2.gz LJBBGPRXTZNYKS-UHFFFAOYSA-N -1 3 325.416 2.662 20 30 EFEDHM C=CC(C)(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001588482721 1092950859 /nfs/dbraw/zinc/95/08/59/1092950859.db2.gz XIADNTKMYDIFSB-UHFFFAOYSA-N -1 3 336.193 2.780 20 30 EFEDHM C=CC(C)(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001588482721 1092950868 /nfs/dbraw/zinc/95/08/68/1092950868.db2.gz XIADNTKMYDIFSB-UHFFFAOYSA-N -1 3 336.193 2.780 20 30 EFEDHM C=C[C@H](CC)CC(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc21 ZINC001588525280 1092951708 /nfs/dbraw/zinc/95/17/08/1092951708.db2.gz FNWVAAVFSLLJKJ-SNVBAGLBSA-N -1 3 325.376 2.592 20 30 EFEDHM C=C[C@H](CC)CC(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc21 ZINC001588525280 1092951714 /nfs/dbraw/zinc/95/17/14/1092951714.db2.gz FNWVAAVFSLLJKJ-SNVBAGLBSA-N -1 3 325.376 2.592 20 30 EFEDHM C=C[C@](C)(CC)COC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588495637 1092952105 /nfs/dbraw/zinc/95/21/05/1092952105.db2.gz HEJUYKSSYXAYBR-YVEFUNNKSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@@](C)(CC)COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588495374 1092952275 /nfs/dbraw/zinc/95/22/75/1092952275.db2.gz CTCAPDYDAMFCRL-SJCJKPOMSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@@](C)(CC)COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588495374 1092952284 /nfs/dbraw/zinc/95/22/84/1092952284.db2.gz CTCAPDYDAMFCRL-SJCJKPOMSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001588498673 1092952558 /nfs/dbraw/zinc/95/25/58/1092952558.db2.gz CBAZDUFCWNIERW-OAHLLOKOSA-N -1 3 335.433 2.712 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC001588498673 1092952567 /nfs/dbraw/zinc/95/25/67/1092952567.db2.gz CBAZDUFCWNIERW-OAHLLOKOSA-N -1 3 335.433 2.712 20 30 EFEDHM C=CC(C)(C)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588488951 1092952670 /nfs/dbraw/zinc/95/26/70/1092952670.db2.gz ROYISRYAWHSNMD-UHFFFAOYSA-N -1 3 344.419 2.988 20 30 EFEDHM C=CC(C)(C)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588488951 1092952680 /nfs/dbraw/zinc/95/26/80/1092952680.db2.gz ROYISRYAWHSNMD-UHFFFAOYSA-N -1 3 344.419 2.988 20 30 EFEDHM C=CC(C)(C)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588489271 1092952860 /nfs/dbraw/zinc/95/28/60/1092952860.db2.gz ZJBROVMCSWTZGW-UHFFFAOYSA-N -1 3 330.388 2.780 20 30 EFEDHM C=CC(C)(C)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588489271 1092952869 /nfs/dbraw/zinc/95/28/69/1092952869.db2.gz ZJBROVMCSWTZGW-UHFFFAOYSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C[C@](C)(CCOC)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588499574 1092953002 /nfs/dbraw/zinc/95/30/02/1092953002.db2.gz KLUGZLRORYXNIG-QGZVFWFLSA-N -1 3 330.388 2.561 20 30 EFEDHM C=C[C@](C)(CCOC)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588499574 1092953010 /nfs/dbraw/zinc/95/30/10/1092953010.db2.gz KLUGZLRORYXNIG-QGZVFWFLSA-N -1 3 330.388 2.561 20 30 EFEDHM C=CC(C)(C)CNC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588488674 1092953140 /nfs/dbraw/zinc/95/31/40/1092953140.db2.gz LVENSEBFUGIJRR-UHFFFAOYSA-N -1 3 340.431 2.757 20 30 EFEDHM C=CC(C)(C)CNC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588488674 1092953146 /nfs/dbraw/zinc/95/31/46/1092953146.db2.gz LVENSEBFUGIJRR-UHFFFAOYSA-N -1 3 340.431 2.757 20 30 EFEDHM C=CC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588488276 1092953492 /nfs/dbraw/zinc/95/34/92/1092953492.db2.gz HBEZXXGQALHYGH-UHFFFAOYSA-N -1 3 330.392 2.740 20 30 EFEDHM C=CC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588488276 1092953503 /nfs/dbraw/zinc/95/35/03/1092953503.db2.gz HBEZXXGQALHYGH-UHFFFAOYSA-N -1 3 330.392 2.740 20 30 EFEDHM C=CCC(C)(C)C(=O)NCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588538085 1092955593 /nfs/dbraw/zinc/95/55/93/1092955593.db2.gz HWVUFPZEKTTXTD-UHFFFAOYSA-N -1 3 346.410 2.526 20 30 EFEDHM C=CCC(C)(C)C(=O)NCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588538085 1092955598 /nfs/dbraw/zinc/95/55/98/1092955598.db2.gz HWVUFPZEKTTXTD-UHFFFAOYSA-N -1 3 346.410 2.526 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588527604 1092955721 /nfs/dbraw/zinc/95/57/21/1092955721.db2.gz PTFFNFJWMAPFRT-ZDUSSCGKSA-N -1 3 329.429 2.526 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588527604 1092955728 /nfs/dbraw/zinc/95/57/28/1092955728.db2.gz PTFFNFJWMAPFRT-ZDUSSCGKSA-N -1 3 329.429 2.526 20 30 EFEDHM C=CCC(C)(C)CNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588539674 1092955854 /nfs/dbraw/zinc/95/58/54/1092955854.db2.gz UQFMNTNEIQFACU-UHFFFAOYSA-N -1 3 343.431 2.743 20 30 EFEDHM C=CCC(C)(C)CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588539674 1092955860 /nfs/dbraw/zinc/95/58/60/1092955860.db2.gz UQFMNTNEIQFACU-UHFFFAOYSA-N -1 3 343.431 2.743 20 30 EFEDHM C=CC[C@@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)c1ccncc1 ZINC001588549702 1092958685 /nfs/dbraw/zinc/95/86/85/1092958685.db2.gz URSXRDFKGGUARS-MRXNPFEDSA-N -1 3 348.410 2.926 20 30 EFEDHM C=CC[C@@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)c1ccncc1 ZINC001588549702 1092958693 /nfs/dbraw/zinc/95/86/93/1092958693.db2.gz URSXRDFKGGUARS-MRXNPFEDSA-N -1 3 348.410 2.926 20 30 EFEDHM C=CCC1(C(=O)N(C)CCc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001588549774 1092958710 /nfs/dbraw/zinc/95/87/10/1092958710.db2.gz XMYMEOZFADDZPU-UHFFFAOYSA-N -1 3 325.416 2.614 20 30 EFEDHM C=CCC1(C(=O)N(C)CCc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001588549774 1092958720 /nfs/dbraw/zinc/95/87/20/1092958720.db2.gz XMYMEOZFADDZPU-UHFFFAOYSA-N -1 3 325.416 2.614 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001588545997 1092958939 /nfs/dbraw/zinc/95/89/39/1092958939.db2.gz UJNXFIOVMVCRQO-CYBMUJFWSA-N -1 3 339.424 2.845 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001588545997 1092958947 /nfs/dbraw/zinc/95/89/47/1092958947.db2.gz UJNXFIOVMVCRQO-CYBMUJFWSA-N -1 3 339.424 2.845 20 30 EFEDHM C=C(C)C[C@@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC001588552812 1092959059 /nfs/dbraw/zinc/95/90/59/1092959059.db2.gz ATELEJPHBQOWFO-GFCCVEGCSA-N -1 3 328.206 2.972 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588559333 1092960947 /nfs/dbraw/zinc/96/09/47/1092960947.db2.gz JFXBAFFMGYQQFC-XHDPSFHLSA-N -1 3 329.379 2.871 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588559333 1092960958 /nfs/dbraw/zinc/96/09/58/1092960958.db2.gz JFXBAFFMGYQQFC-XHDPSFHLSA-N -1 3 329.379 2.871 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588559330 1092961282 /nfs/dbraw/zinc/96/12/82/1092961282.db2.gz JFXBAFFMGYQQFC-ABAIWWIYSA-N -1 3 329.379 2.871 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588559330 1092961289 /nfs/dbraw/zinc/96/12/89/1092961289.db2.gz JFXBAFFMGYQQFC-ABAIWWIYSA-N -1 3 329.379 2.871 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588558577 1092961482 /nfs/dbraw/zinc/96/14/82/1092961482.db2.gz AMRGZTNPICVKMJ-WFASDCNBSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588558577 1092961487 /nfs/dbraw/zinc/96/14/87/1092961487.db2.gz AMRGZTNPICVKMJ-WFASDCNBSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CCC1(CNC(=O)NCc2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001588557532 1092961962 /nfs/dbraw/zinc/96/19/62/1092961962.db2.gz PJKTUMUBJIZQTG-UHFFFAOYSA-N -1 3 346.460 2.864 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588564392 1092962848 /nfs/dbraw/zinc/96/28/48/1092962848.db2.gz MVPMFIQMCVLJSA-SECBINFHSA-N -1 3 338.198 2.964 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588564392 1092962860 /nfs/dbraw/zinc/96/28/60/1092962860.db2.gz MVPMFIQMCVLJSA-SECBINFHSA-N -1 3 338.198 2.964 20 30 EFEDHM C=CCCCC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588588578 1092964036 /nfs/dbraw/zinc/96/40/36/1092964036.db2.gz SISWQUQBXYNREW-UHFFFAOYSA-N -1 3 325.416 2.929 20 30 EFEDHM C=CCCCC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588588578 1092964050 /nfs/dbraw/zinc/96/40/50/1092964050.db2.gz SISWQUQBXYNREW-UHFFFAOYSA-N -1 3 325.416 2.929 20 30 EFEDHM C=CCCCC(=O)NC[C@H](CC)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588586135 1092964749 /nfs/dbraw/zinc/96/47/49/1092964749.db2.gz FAGONUQRLWXPQL-LBPRGKRZSA-N -1 3 346.410 2.669 20 30 EFEDHM C=CCCCC(=O)NC[C@H](CC)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588586135 1092964760 /nfs/dbraw/zinc/96/47/60/1092964760.db2.gz FAGONUQRLWXPQL-LBPRGKRZSA-N -1 3 346.410 2.669 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588579406 1092965748 /nfs/dbraw/zinc/96/57/48/1092965748.db2.gz MKWUNDDXGQYHEB-CQSZACIVSA-N -1 3 343.456 2.916 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588579406 1092965758 /nfs/dbraw/zinc/96/57/58/1092965758.db2.gz MKWUNDDXGQYHEB-CQSZACIVSA-N -1 3 343.456 2.916 20 30 EFEDHM C=CCCCCCSCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588596516 1092966794 /nfs/dbraw/zinc/96/67/94/1092966794.db2.gz RFPLQWMTGIOBFM-UHFFFAOYSA-N -1 3 345.472 2.963 20 30 EFEDHM C=CCCCCCSCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588596516 1092966803 /nfs/dbraw/zinc/96/68/03/1092966803.db2.gz RFPLQWMTGIOBFM-UHFFFAOYSA-N -1 3 345.472 2.963 20 30 EFEDHM C=CCCCN(CC)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588601236 1092967673 /nfs/dbraw/zinc/96/76/73/1092967673.db2.gz FWEJLUARICOMSA-INIZCTEOSA-N -1 3 340.431 2.852 20 30 EFEDHM C=CCCCN(CC)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588601236 1092967681 /nfs/dbraw/zinc/96/76/81/1092967681.db2.gz FWEJLUARICOMSA-INIZCTEOSA-N -1 3 340.431 2.852 20 30 EFEDHM C=CCCN(C)c1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001588603876 1092968078 /nfs/dbraw/zinc/96/80/78/1092968078.db2.gz ZISWZAVHVUFHOS-UHFFFAOYSA-N -1 3 334.305 2.845 20 30 EFEDHM C=CCCN(C)c1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001588603876 1092968087 /nfs/dbraw/zinc/96/80/87/1092968087.db2.gz ZISWZAVHVUFHOS-UHFFFAOYSA-N -1 3 334.305 2.845 20 30 EFEDHM C=CCCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC001588615938 1092970293 /nfs/dbraw/zinc/97/02/93/1092970293.db2.gz OIYFLTIJVSXBRC-JTQLQIEISA-N -1 3 347.444 2.584 20 30 EFEDHM C=CCCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC001588615938 1092970305 /nfs/dbraw/zinc/97/03/05/1092970305.db2.gz OIYFLTIJVSXBRC-JTQLQIEISA-N -1 3 347.444 2.584 20 30 EFEDHM C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588626346 1092970723 /nfs/dbraw/zinc/97/07/23/1092970723.db2.gz YBOPVZBDXDEHDD-LSDHHAIUSA-N -1 3 325.416 2.783 20 30 EFEDHM C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588626346 1092970731 /nfs/dbraw/zinc/97/07/31/1092970731.db2.gz YBOPVZBDXDEHDD-LSDHHAIUSA-N -1 3 325.416 2.783 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC1(C)C ZINC001588638671 1092971852 /nfs/dbraw/zinc/97/18/52/1092971852.db2.gz GWRSBIIVNNNEJQ-HNNXBMFYSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC1(C)C ZINC001588638671 1092971865 /nfs/dbraw/zinc/97/18/65/1092971865.db2.gz GWRSBIIVNNNEJQ-HNNXBMFYSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sccc1F ZINC001588648643 1092976440 /nfs/dbraw/zinc/97/64/40/1092976440.db2.gz NQSVDFGCFKJQEE-UHFFFAOYSA-N -1 3 343.387 2.896 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sccc1F ZINC001588648643 1092976451 /nfs/dbraw/zinc/97/64/51/1092976451.db2.gz NQSVDFGCFKJQEE-UHFFFAOYSA-N -1 3 343.387 2.896 20 30 EFEDHM C=CCNc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001588665861 1092977829 /nfs/dbraw/zinc/97/78/29/1092977829.db2.gz RXZXJBOBRJANLK-UHFFFAOYSA-N -1 3 331.430 2.608 20 30 EFEDHM C=CCNc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001588665861 1092977835 /nfs/dbraw/zinc/97/78/35/1092977835.db2.gz RXZXJBOBRJANLK-UHFFFAOYSA-N -1 3 331.430 2.608 20 30 EFEDHM C=CCOc1ccc(COC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC001588690275 1092980417 /nfs/dbraw/zinc/98/04/17/1092980417.db2.gz XVMIZFOZMVEGRI-UHFFFAOYSA-N -1 3 342.380 2.850 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001588728932 1092980435 /nfs/dbraw/zinc/98/04/35/1092980435.db2.gz YUOUFPJRXJDZSX-NEPJUHHUSA-N -1 3 325.294 2.641 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001588728932 1092980445 /nfs/dbraw/zinc/98/04/45/1092980445.db2.gz YUOUFPJRXJDZSX-NEPJUHHUSA-N -1 3 325.294 2.641 20 30 EFEDHM C=CCOc1ccccc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC001588689964 1092980460 /nfs/dbraw/zinc/98/04/60/1092980460.db2.gz QFTZZRTZZGGVNB-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOc1ccccc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC001588689964 1092980463 /nfs/dbraw/zinc/98/04/63/1092980463.db2.gz QFTZZRTZZGGVNB-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOc1ccccc1C=C1C(=O)Nc2cc(-c3nnn[n-]3)ccc21 ZINC001588689715 1092980663 /nfs/dbraw/zinc/98/06/63/1092980663.db2.gz KPAUYULVDFDNCF-GDNBJRDFSA-N -1 3 345.362 2.924 20 30 EFEDHM C=CCOc1ccccc1C=C1C(=O)Nc2cc(-c3nn[n-]n3)ccc21 ZINC001588689715 1092980672 /nfs/dbraw/zinc/98/06/72/1092980672.db2.gz KPAUYULVDFDNCF-GDNBJRDFSA-N -1 3 345.362 2.924 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001588690039 1092981424 /nfs/dbraw/zinc/98/14/24/1092981424.db2.gz YCUIOGBNDRUSAM-UHFFFAOYSA-N -1 3 339.330 2.823 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001588690039 1092981433 /nfs/dbraw/zinc/98/14/33/1092981433.db2.gz YCUIOGBNDRUSAM-UHFFFAOYSA-N -1 3 339.330 2.823 20 30 EFEDHM CC#CCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588746063 1092982655 /nfs/dbraw/zinc/98/26/55/1092982655.db2.gz LZLUUCZWNKMHEC-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM CC#CCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588746063 1092982665 /nfs/dbraw/zinc/98/26/65/1092982665.db2.gz LZLUUCZWNKMHEC-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM CC(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1C ZINC001588894369 1093001076 /nfs/dbraw/zinc/00/10/76/1093001076.db2.gz IHXAVTLRWIRCKW-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1C ZINC001588894369 1093001084 /nfs/dbraw/zinc/00/10/84/1093001084.db2.gz IHXAVTLRWIRCKW-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCc2cc(C#N)ccc2F)c1 ZINC001588907063 1093006340 /nfs/dbraw/zinc/00/63/40/1093006340.db2.gz CLIMAFVEQCMIFJ-UHFFFAOYSA-N -1 3 336.330 2.692 20 30 EFEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCc2cc(C#N)ccc2F)c1 ZINC001588907063 1093006348 /nfs/dbraw/zinc/00/63/48/1093006348.db2.gz CLIMAFVEQCMIFJ-UHFFFAOYSA-N -1 3 336.330 2.692 20 30 EFEDHM C[C@H](C#N)N(Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C1CC1 ZINC001588934396 1093013099 /nfs/dbraw/zinc/01/30/99/1093013099.db2.gz KZWRAHVGGKKXGP-SECBINFHSA-N -1 3 336.321 2.762 20 30 EFEDHM C[C@H](C#N)N(Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C1CC1 ZINC001588934396 1093013106 /nfs/dbraw/zinc/01/31/06/1093013106.db2.gz KZWRAHVGGKKXGP-SECBINFHSA-N -1 3 336.321 2.762 20 30 EFEDHM C[C@@H](C#N)N(Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C1CC1 ZINC001588934397 1093014079 /nfs/dbraw/zinc/01/40/79/1093014079.db2.gz KZWRAHVGGKKXGP-VIFPVBQESA-N -1 3 336.321 2.762 20 30 EFEDHM C[C@@H](C#N)N(Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C1CC1 ZINC001588934397 1093014085 /nfs/dbraw/zinc/01/40/85/1093014085.db2.gz KZWRAHVGGKKXGP-VIFPVBQESA-N -1 3 336.321 2.762 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(-c2nnn[n-]2)cc1F ZINC001588920538 1093014367 /nfs/dbraw/zinc/01/43/67/1093014367.db2.gz QMFVVGKVIJEECC-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(-c2nn[n-]n2)cc1F ZINC001588920538 1093014371 /nfs/dbraw/zinc/01/43/71/1093014371.db2.gz QMFVVGKVIJEECC-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(C)(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589059164 1093024002 /nfs/dbraw/zinc/02/40/02/1093024002.db2.gz PAKMWDAAMLHLKR-IUODEOHRSA-N -1 3 339.399 2.770 20 30 EFEDHM CC(C)(C(=O)O[C@@H]1CCC[C@@H](C#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589059164 1093024011 /nfs/dbraw/zinc/02/40/11/1093024011.db2.gz PAKMWDAAMLHLKR-IUODEOHRSA-N -1 3 339.399 2.770 20 30 EFEDHM CC(C)(C)OC(=O)CCCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589151904 1093041148 /nfs/dbraw/zinc/04/11/48/1093041148.db2.gz WNWDEOYCVDCWGN-UHFFFAOYSA-N -1 3 342.403 2.662 20 30 EFEDHM CC(C)(C)OC(=O)CCCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589151904 1093041155 /nfs/dbraw/zinc/04/11/55/1093041155.db2.gz WNWDEOYCVDCWGN-UHFFFAOYSA-N -1 3 342.403 2.662 20 30 EFEDHM CC(C)(C)c1n[nH]cc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001589238026 1093055894 /nfs/dbraw/zinc/05/58/94/1093055894.db2.gz LONXDGBXEFCHDJ-GHXNOFRVSA-N -1 3 334.383 2.710 20 30 EFEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001589542114 1093104637 /nfs/dbraw/zinc/10/46/37/1093104637.db2.gz UQMNMELHKJGSHH-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001589542114 1093104638 /nfs/dbraw/zinc/10/46/38/1093104638.db2.gz UQMNMELHKJGSHH-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)C[C@H]1C[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589572218 1093109139 /nfs/dbraw/zinc/10/91/39/1093109139.db2.gz PCQJRFBXBJKPQH-KGLIPLIRSA-N -1 3 326.404 2.744 20 30 EFEDHM CC(C)C[C@H]1C[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589572218 1093109143 /nfs/dbraw/zinc/10/91/43/1093109143.db2.gz PCQJRFBXBJKPQH-KGLIPLIRSA-N -1 3 326.404 2.744 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccncc1C#N ZINC001589626103 1093117837 /nfs/dbraw/zinc/11/78/37/1093117837.db2.gz MXWLOIDLKRHXQK-UHFFFAOYSA-N -1 3 347.426 2.792 20 30 EFEDHM CC(C)Oc1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)ccn1 ZINC001589750503 1093131939 /nfs/dbraw/zinc/13/19/39/1093131939.db2.gz FVQAIVKGRMZSKY-UHFFFAOYSA-N -1 3 335.371 2.533 20 30 EFEDHM CC(C)Oc1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)ccn1 ZINC001589750503 1093131947 /nfs/dbraw/zinc/13/19/47/1093131947.db2.gz FVQAIVKGRMZSKY-UHFFFAOYSA-N -1 3 335.371 2.533 20 30 EFEDHM CC(C)c1c(Cl)ncnc1N=NCc1cccc(-c2nn[n-]n2)c1 ZINC001589764945 1093137577 /nfs/dbraw/zinc/13/75/77/1093137577.db2.gz HFFLGRGJYKEZDV-UHFFFAOYSA-N -1 3 342.794 2.880 20 30 EFEDHM C[C@H](CC(C)(C)C#N)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589794697 1093150372 /nfs/dbraw/zinc/15/03/72/1093150372.db2.gz FJHIRUHDAVMYEV-JLVNDZCYSA-N -1 3 325.372 2.751 20 30 EFEDHM C[C@H](CC(C)(C)C#N)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589794697 1093150376 /nfs/dbraw/zinc/15/03/76/1093150376.db2.gz FJHIRUHDAVMYEV-JLVNDZCYSA-N -1 3 325.372 2.751 20 30 EFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589794699 1093151018 /nfs/dbraw/zinc/15/10/18/1093151018.db2.gz FJHIRUHDAVMYEV-LAUAKBEESA-N -1 3 325.372 2.751 20 30 EFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589794699 1093151024 /nfs/dbraw/zinc/15/10/24/1093151024.db2.gz FJHIRUHDAVMYEV-LAUAKBEESA-N -1 3 325.372 2.751 20 30 EFEDHM C[C@@H](COC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001589883388 1093164072 /nfs/dbraw/zinc/16/40/72/1093164072.db2.gz DPPRPBFWTFFIPP-SWLSCSKDSA-N -1 3 341.415 2.774 20 30 EFEDHM C[C@@H](COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001589883388 1093164078 /nfs/dbraw/zinc/16/40/78/1093164078.db2.gz DPPRPBFWTFFIPP-SWLSCSKDSA-N -1 3 341.415 2.774 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1C#N ZINC001589898031 1093169900 /nfs/dbraw/zinc/16/99/00/1093169900.db2.gz SBXJFIUNWOVSEH-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1C#N ZINC001589898031 1093169904 /nfs/dbraw/zinc/16/99/04/1093169904.db2.gz SBXJFIUNWOVSEH-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001589897070 1093169969 /nfs/dbraw/zinc/16/99/69/1093169969.db2.gz NZTFXTVZOAAASO-GFCCVEGCSA-N -1 3 333.351 2.523 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001589897070 1093169972 /nfs/dbraw/zinc/16/99/72/1093169972.db2.gz NZTFXTVZOAAASO-GFCCVEGCSA-N -1 3 333.351 2.523 20 30 EFEDHM C[C@H](Nc1c(C#N)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589978473 1093206304 /nfs/dbraw/zinc/20/63/04/1093206304.db2.gz UJEAKVBIJBBDSR-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1c(C#N)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589978473 1093206305 /nfs/dbraw/zinc/20/63/05/1093206305.db2.gz UJEAKVBIJBBDSR-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](O)C[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001589996535 1093212999 /nfs/dbraw/zinc/21/29/99/1093212999.db2.gz HTZBEAQPFQUGMV-BBRMVZONSA-N -1 3 348.410 2.705 20 30 EFEDHM C[C@H](O)C[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001589996535 1093213006 /nfs/dbraw/zinc/21/30/06/1093213006.db2.gz HTZBEAQPFQUGMV-BBRMVZONSA-N -1 3 348.410 2.705 20 30 EFEDHM C[C@H](OC(=O)CC#Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001590008049 1093218579 /nfs/dbraw/zinc/21/85/79/1093218579.db2.gz UACOWLWMBRTJSB-AWEZNQCLSA-N -1 3 332.363 2.913 20 30 EFEDHM C[C@H](OC(=O)CC#Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001590008049 1093218584 /nfs/dbraw/zinc/21/85/84/1093218584.db2.gz UACOWLWMBRTJSB-AWEZNQCLSA-N -1 3 332.363 2.913 20 30 EFEDHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001590008870 1093218695 /nfs/dbraw/zinc/21/86/95/1093218695.db2.gz TZIXDRVFDGBKPI-LBPRGKRZSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001590008870 1093218703 /nfs/dbraw/zinc/21/87/03/1093218703.db2.gz TZIXDRVFDGBKPI-LBPRGKRZSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@@H](OC(=O)Cc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590008431 1093218763 /nfs/dbraw/zinc/21/87/63/1093218763.db2.gz GDVFNZJZLRMISQ-GFCCVEGCSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@@H](OC(=O)Cc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590008431 1093218768 /nfs/dbraw/zinc/21/87/68/1093218768.db2.gz GDVFNZJZLRMISQ-GFCCVEGCSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@H](c1ccc(Cn2cnc(C#N)c2-c2nnn[n-]2)cc1)C(F)(F)F ZINC001590040594 1093235081 /nfs/dbraw/zinc/23/50/81/1093235081.db2.gz QJQIKTDJLCIDLN-SECBINFHSA-N -1 3 347.304 2.649 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)cc1 ZINC001590043810 1093236631 /nfs/dbraw/zinc/23/66/31/1093236631.db2.gz QFJOUSLTPPSGAA-GFCCVEGCSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)cc1 ZINC001590043810 1093236637 /nfs/dbraw/zinc/23/66/37/1093236637.db2.gz QFJOUSLTPPSGAA-GFCCVEGCSA-N -1 3 332.367 2.572 20 30 EFEDHM CC1(C)CC(=O)C(=CNc2ccc(-c3nnn[n-]3)c(Cl)c2)C(=O)C1 ZINC001590081360 1093255689 /nfs/dbraw/zinc/25/56/89/1093255689.db2.gz VUWSNZKFUCWKFR-UHFFFAOYSA-N -1 3 345.790 2.774 20 30 EFEDHM CC1(C)CC(=O)C(=CNc2ccc(-c3nn[n-]n3)c(Cl)c2)C(=O)C1 ZINC001590081360 1093255694 /nfs/dbraw/zinc/25/56/94/1093255694.db2.gz VUWSNZKFUCWKFR-UHFFFAOYSA-N -1 3 345.790 2.774 20 30 EFEDHM CC[C@H](CC#N)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001650468091 1093286166 /nfs/dbraw/zinc/28/61/66/1093286166.db2.gz DNLPAXBJDRHKJD-SNVBAGLBSA-N -1 3 330.793 2.561 20 30 EFEDHM C[C@@H]1[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)[C@H]1c1ccccc1 ZINC001590164983 1093291859 /nfs/dbraw/zinc/29/18/59/1093291859.db2.gz JFGCZBVLTPQYGN-JECHBYEQSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)[C@H]1c1ccccc1 ZINC001590164983 1093291866 /nfs/dbraw/zinc/29/18/66/1093291866.db2.gz JFGCZBVLTPQYGN-JECHBYEQSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590164978 1093292082 /nfs/dbraw/zinc/29/20/82/1093292082.db2.gz JFGCZBVLTPQYGN-GOPGUHFVSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590164978 1093292088 /nfs/dbraw/zinc/29/20/88/1093292088.db2.gz JFGCZBVLTPQYGN-GOPGUHFVSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)C1 ZINC001590241886 1093330684 /nfs/dbraw/zinc/33/06/84/1093330684.db2.gz YLJLPWMROJXFSG-BBATYDOGSA-N -1 3 349.398 2.550 20 30 EFEDHM C[C@@H]1CN(c2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)[C@H]1C ZINC001590317243 1093371998 /nfs/dbraw/zinc/37/19/98/1093371998.db2.gz WENVYAYJFQXSNP-NEPJUHHUSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@@H]1CN(c2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)[C@H]1C ZINC001590317243 1093372009 /nfs/dbraw/zinc/37/20/09/1093372009.db2.gz WENVYAYJFQXSNP-NEPJUHHUSA-N -1 3 337.431 2.637 20 30 EFEDHM CC[C@H](C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001590367257 1093393173 /nfs/dbraw/zinc/39/31/73/1093393173.db2.gz JPGVHSPCYYEABK-SNVBAGLBSA-N -1 3 328.376 2.532 20 30 EFEDHM CC[C@H](C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001590367257 1093393182 /nfs/dbraw/zinc/39/31/82/1093393182.db2.gz JPGVHSPCYYEABK-SNVBAGLBSA-N -1 3 328.376 2.532 20 30 EFEDHM CC[C@](C)(C#N)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001590371576 1093393906 /nfs/dbraw/zinc/39/39/06/1093393906.db2.gz DSMVQKKENRVFEW-MRXNPFEDSA-N -1 3 340.412 2.812 20 30 EFEDHM CC[C@](C)(C#N)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001590371576 1093393912 /nfs/dbraw/zinc/39/39/12/1093393912.db2.gz DSMVQKKENRVFEW-MRXNPFEDSA-N -1 3 340.412 2.812 20 30 EFEDHM C[C@H](CNc1cccc(F)c1C#N)N(C)C(=O)c1ccccc1[O-] ZINC001104472459 1093439110 /nfs/dbraw/zinc/43/91/10/1093439110.db2.gz ULRGPPXXBCWNES-GFCCVEGCSA-N -1 3 327.359 2.976 20 30 EFEDHM CCCc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590659578 1093532571 /nfs/dbraw/zinc/53/25/71/1093532571.db2.gz NXSGFGMOTNEKCY-UHFFFAOYSA-N -1 3 332.367 2.943 20 30 EFEDHM CCCc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590659578 1093532575 /nfs/dbraw/zinc/53/25/75/1093532575.db2.gz NXSGFGMOTNEKCY-UHFFFAOYSA-N -1 3 332.367 2.943 20 30 EFEDHM CCN(C(=O)CC1(C#N)CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001590669363 1093540919 /nfs/dbraw/zinc/54/09/19/1093540919.db2.gz LWCBKLBWNPCKPA-UHFFFAOYSA-N -1 3 330.779 2.567 20 30 EFEDHM CCN(C(=O)CC1(C#N)CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590669363 1093540925 /nfs/dbraw/zinc/54/09/25/1093540925.db2.gz LWCBKLBWNPCKPA-UHFFFAOYSA-N -1 3 330.779 2.567 20 30 EFEDHM CCN(C(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001590674221 1093542550 /nfs/dbraw/zinc/54/25/50/1093542550.db2.gz XAYVPULUXKSBJQ-UHFFFAOYSA-N -1 3 336.330 2.544 20 30 EFEDHM CCN(C(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001590674221 1093542559 /nfs/dbraw/zinc/54/25/59/1093542559.db2.gz XAYVPULUXKSBJQ-UHFFFAOYSA-N -1 3 336.330 2.544 20 30 EFEDHM CCN(CCC#N)C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001590691114 1093549666 /nfs/dbraw/zinc/54/96/66/1093549666.db2.gz QNIHTDDCPWHJSV-UHFFFAOYSA-N -1 3 347.448 2.993 20 30 EFEDHM CCN(CCC#N)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001590691114 1093549668 /nfs/dbraw/zinc/54/96/68/1093549668.db2.gz QNIHTDDCPWHJSV-UHFFFAOYSA-N -1 3 347.448 2.993 20 30 EFEDHM CCN(CC)c1ncc(C=[NH+][N-]c2cccc(-c3nn[n-]n3)c2)s1 ZINC001590689633 1093551085 /nfs/dbraw/zinc/55/10/85/1093551085.db2.gz YBDBALFTZXUHFY-UHFFFAOYSA-N -1 3 342.432 2.615 20 30 EFEDHM CCOC(=O)Nc1ccc(NC[C@H](C)CCC#N)cc1-c1nnn[n-]1 ZINC001590768893 1093564507 /nfs/dbraw/zinc/56/45/07/1093564507.db2.gz RHYUBBGCOJZGMZ-LLVKDONJSA-N -1 3 343.391 2.787 20 30 EFEDHM CCOC(=O)Nc1ccc(NC[C@H](C)CCC#N)cc1-c1nn[n-]n1 ZINC001590768893 1093564512 /nfs/dbraw/zinc/56/45/12/1093564512.db2.gz RHYUBBGCOJZGMZ-LLVKDONJSA-N -1 3 343.391 2.787 20 30 EFEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cn2)C1(CC)CC ZINC001590786651 1093572054 /nfs/dbraw/zinc/57/20/54/1093572054.db2.gz LQCDOKRDFKIJOI-CYBMUJFWSA-N -1 3 329.408 2.645 20 30 EFEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cn2)C1(CC)CC ZINC001590786651 1093572061 /nfs/dbraw/zinc/57/20/61/1093572061.db2.gz LQCDOKRDFKIJOI-CYBMUJFWSA-N -1 3 329.408 2.645 20 30 EFEDHM CCOc1cc(C=CC(=O)c2ccccc2-c2nnn[n-]2)ccc1O ZINC001590825952 1093583678 /nfs/dbraw/zinc/58/36/78/1093583678.db2.gz GPUSWXFPTFFGIU-VQHVLOKHSA-N -1 3 336.351 2.867 20 30 EFEDHM CCOc1cc(C=CC(=O)c2ccccc2-c2nn[n-]n2)ccc1O ZINC001590825952 1093583686 /nfs/dbraw/zinc/58/36/86/1093583686.db2.gz GPUSWXFPTFFGIU-VQHVLOKHSA-N -1 3 336.351 2.867 20 30 EFEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1O ZINC001590826087 1093583839 /nfs/dbraw/zinc/58/38/39/1093583839.db2.gz RTIXJFFEQMOLHC-YCRREMRBSA-N -1 3 336.351 2.867 20 30 EFEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC001590826087 1093583845 /nfs/dbraw/zinc/58/38/45/1093583845.db2.gz RTIXJFFEQMOLHC-YCRREMRBSA-N -1 3 336.351 2.867 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OCc1cc(C#N)ccc1OC ZINC001590877033 1093611299 /nfs/dbraw/zinc/61/12/99/1093611299.db2.gz RGUNUWVZDZRHDW-UHFFFAOYSA-N -1 3 335.367 2.888 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)s1 ZINC001590878333 1093611334 /nfs/dbraw/zinc/61/13/34/1093611334.db2.gz RFZHZRDRLHFMDH-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)s1 ZINC001590878333 1093611337 /nfs/dbraw/zinc/61/13/37/1093611337.db2.gz RFZHZRDRLHFMDH-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1cc(C#N)ccc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001590877969 1093612237 /nfs/dbraw/zinc/61/22/37/1093612237.db2.gz IMDKFYCNGSPXNR-UHFFFAOYSA-N -1 3 335.367 2.759 20 30 EFEDHM CN(Cc1cc2ccccc2[nH]1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591134360 1093668550 /nfs/dbraw/zinc/66/85/50/1093668550.db2.gz UCSHTUJSVLYPFK-UHFFFAOYSA-N -1 3 329.367 2.856 20 30 EFEDHM CN(Cc1cc2ccccc2[nH]1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591134360 1093668553 /nfs/dbraw/zinc/66/85/53/1093668553.db2.gz UCSHTUJSVLYPFK-UHFFFAOYSA-N -1 3 329.367 2.856 20 30 EFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC#N)c1ccccc1 ZINC001591141279 1093671473 /nfs/dbraw/zinc/67/14/73/1093671473.db2.gz GVGXFCLRIXYRMV-QGZVFWFLSA-N -1 3 346.394 2.523 20 30 EFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC#N)c1ccccc1 ZINC001591141279 1093671479 /nfs/dbraw/zinc/67/14/79/1093671479.db2.gz GVGXFCLRIXYRMV-QGZVFWFLSA-N -1 3 346.394 2.523 20 30 EFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(CC#N)c1 ZINC001591143321 1093671626 /nfs/dbraw/zinc/67/16/26/1093671626.db2.gz PXBDXEZURUSAFA-UHFFFAOYSA-N -1 3 347.382 2.597 20 30 EFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(CC#N)c1 ZINC001591143321 1093671630 /nfs/dbraw/zinc/67/16/30/1093671630.db2.gz PXBDXEZURUSAFA-UHFFFAOYSA-N -1 3 347.382 2.597 20 30 EFEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1(C#N)CCCCC1 ZINC001591222089 1093679569 /nfs/dbraw/zinc/67/95/69/1093679569.db2.gz PKZGNSMMXIQOIV-UHFFFAOYSA-N -1 3 339.403 2.711 20 30 EFEDHM COC(=O)c1csc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001591307956 1093688247 /nfs/dbraw/zinc/68/82/47/1093688247.db2.gz UBKNJDXIESQYIE-AATRIKPKSA-N -1 3 340.364 2.611 20 30 EFEDHM COC(=O)c1csc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001591307956 1093688251 /nfs/dbraw/zinc/68/82/51/1093688251.db2.gz UBKNJDXIESQYIE-AATRIKPKSA-N -1 3 340.364 2.611 20 30 EFEDHM COCCOc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001591445639 1093724016 /nfs/dbraw/zinc/72/40/16/1093724016.db2.gz PCJQJKWNJAQNDO-UHFFFAOYSA-N -1 3 336.355 2.507 20 30 EFEDHM COCCOc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001591445639 1093724019 /nfs/dbraw/zinc/72/40/19/1093724019.db2.gz PCJQJKWNJAQNDO-UHFFFAOYSA-N -1 3 336.355 2.507 20 30 EFEDHM COCc1cc(-c2nn[n-]n2)ccc1N[C@H]1CCc2cc(C#N)ccc21 ZINC001591454248 1093725569 /nfs/dbraw/zinc/72/55/69/1093725569.db2.gz MBHWWMQUGUMWQY-SFHVURJKSA-N -1 3 346.394 2.984 20 30 EFEDHM COc1cc(C#N)ccc1OC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001591509199 1093746253 /nfs/dbraw/zinc/74/62/53/1093746253.db2.gz RVAQSRYMKPBPCF-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1cc(C#N)ccc1OC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001591509199 1093746258 /nfs/dbraw/zinc/74/62/58/1093746258.db2.gz RVAQSRYMKPBPCF-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001591518766 1093747737 /nfs/dbraw/zinc/74/77/37/1093747737.db2.gz LHLYCZYHCMUVBA-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001591518766 1093747739 /nfs/dbraw/zinc/74/77/39/1093747739.db2.gz LHLYCZYHCMUVBA-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)ccc1C ZINC001591523372 1093751465 /nfs/dbraw/zinc/75/14/65/1093751465.db2.gz WCWLJTCBHZMYBH-VGOFMYFVSA-N -1 3 347.378 2.791 20 30 EFEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)ccc1C ZINC001591523372 1093751468 /nfs/dbraw/zinc/75/14/68/1093751468.db2.gz WCWLJTCBHZMYBH-VGOFMYFVSA-N -1 3 347.378 2.791 20 30 EFEDHM COc1cc(CN(CCC#N)CC(C)(C)C)ccc1-c1nnn[n-]1 ZINC001591526392 1093751981 /nfs/dbraw/zinc/75/19/81/1093751981.db2.gz RXPZGOLUYRYJRN-UHFFFAOYSA-N -1 3 328.420 2.637 20 30 EFEDHM COc1cc(CN(CCC#N)CC(C)(C)C)ccc1-c1nn[n-]n1 ZINC001591526392 1093751985 /nfs/dbraw/zinc/75/19/85/1093751985.db2.gz RXPZGOLUYRYJRN-UHFFFAOYSA-N -1 3 328.420 2.637 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001591540865 1093759497 /nfs/dbraw/zinc/75/94/97/1093759497.db2.gz QZGOSZJCTPRCGH-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001591540865 1093759504 /nfs/dbraw/zinc/75/95/04/1093759504.db2.gz QZGOSZJCTPRCGH-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC001591571356 1093775760 /nfs/dbraw/zinc/77/57/60/1093775760.db2.gz JNIFZXSMWRHJQO-UITAMQMPSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC001591571356 1093775762 /nfs/dbraw/zinc/77/57/62/1093775762.db2.gz JNIFZXSMWRHJQO-UITAMQMPSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1C#N ZINC001591582750 1093781229 /nfs/dbraw/zinc/78/12/29/1093781229.db2.gz LZNULSZHAFHAEJ-NSIKDUERSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1C#N ZINC001591582750 1093781234 /nfs/dbraw/zinc/78/12/34/1093781234.db2.gz LZNULSZHAFHAEJ-NSIKDUERSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001591618920 1093799967 /nfs/dbraw/zinc/79/99/67/1093799967.db2.gz BWUHKTWSUXBTRK-SOFGYWHQSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001591618920 1093799973 /nfs/dbraw/zinc/79/99/73/1093799973.db2.gz BWUHKTWSUXBTRK-SOFGYWHQSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001591619694 1093801659 /nfs/dbraw/zinc/80/16/59/1093801659.db2.gz NEFUJYDWFLSHNX-VQHVLOKHSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001591619694 1093801668 /nfs/dbraw/zinc/80/16/68/1093801668.db2.gz NEFUJYDWFLSHNX-VQHVLOKHSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@H](CC#N)C3)c2c1 ZINC001591630377 1093806344 /nfs/dbraw/zinc/80/63/44/1093806344.db2.gz ARKBUPJRGJIKGU-LBPRGKRZSA-N -1 3 349.398 2.554 20 30 EFEDHM COc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@H](CC#N)C3)c2c1 ZINC001591630377 1093806351 /nfs/dbraw/zinc/80/63/51/1093806351.db2.gz ARKBUPJRGJIKGU-LBPRGKRZSA-N -1 3 349.398 2.554 20 30 EFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1OC ZINC001591634328 1093807650 /nfs/dbraw/zinc/80/76/50/1093807650.db2.gz AGKIJNPFVFCBMC-KHPPLWFESA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1OC ZINC001591634328 1093807657 /nfs/dbraw/zinc/80/76/57/1093807657.db2.gz AGKIJNPFVFCBMC-KHPPLWFESA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ncc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC001591663202 1093821654 /nfs/dbraw/zinc/82/16/54/1093821654.db2.gz ZFKJQAIOCBYJLN-IHWYPQMZSA-N -1 3 347.787 2.881 20 30 EFEDHM COc1ncc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC001591663202 1093821661 /nfs/dbraw/zinc/82/16/61/1093821661.db2.gz ZFKJQAIOCBYJLN-IHWYPQMZSA-N -1 3 347.787 2.881 20 30 EFEDHM CSc1ccc(CNc2snc(C)c2C#N)cc1-c1nnn[n-]1 ZINC001591714795 1093840660 /nfs/dbraw/zinc/84/06/60/1093840660.db2.gz HZNXHVATEBVWKO-UHFFFAOYSA-N -1 3 343.441 2.837 20 30 EFEDHM CSc1ccc(CNc2snc(C)c2C#N)cc1-c1nn[n-]n1 ZINC001591714795 1093840667 /nfs/dbraw/zinc/84/06/67/1093840667.db2.gz HZNXHVATEBVWKO-UHFFFAOYSA-N -1 3 343.441 2.837 20 30 EFEDHM C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001591732440 1093847881 /nfs/dbraw/zinc/84/78/81/1093847881.db2.gz DRGDTVMJBIPDKW-GFCCVEGCSA-N -1 3 333.351 2.851 20 30 EFEDHM C[C@@H](OC(=O)c1ccc(CC#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001591732440 1093847886 /nfs/dbraw/zinc/84/78/86/1093847886.db2.gz DRGDTVMJBIPDKW-GFCCVEGCSA-N -1 3 333.351 2.851 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC001591797923 1093861405 /nfs/dbraw/zinc/86/14/05/1093861405.db2.gz SQLQEMRWXHSXTD-UHFFFAOYSA-N -1 3 343.350 2.552 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC001591797923 1093861409 /nfs/dbraw/zinc/86/14/09/1093861409.db2.gz SQLQEMRWXHSXTD-UHFFFAOYSA-N -1 3 343.350 2.552 20 30 EFEDHM Cc1c(C(=O)C=Cc2csc(-c3nnn[n-]3)c2)cnn1C(C)C ZINC001591802065 1093863167 /nfs/dbraw/zinc/86/31/67/1093863167.db2.gz PSYLURXTGWVOFH-PLNGDYQASA-N -1 3 328.401 2.910 20 30 EFEDHM Cc1c(C(=O)N2CCCc3c(C#N)cccc32)cccc1-c1nnn[n-]1 ZINC001591803147 1093864719 /nfs/dbraw/zinc/86/47/19/1093864719.db2.gz PTOLFBWIANSCOU-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1c(C(=O)N2CCCc3c(C#N)cccc32)cccc1-c1nn[n-]n1 ZINC001591803147 1093864721 /nfs/dbraw/zinc/86/47/21/1093864721.db2.gz PTOLFBWIANSCOU-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC001591802298 1093865014 /nfs/dbraw/zinc/86/50/14/1093865014.db2.gz WIOAUDWDCHIBSC-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC001591802298 1093865018 /nfs/dbraw/zinc/86/50/18/1093865018.db2.gz WIOAUDWDCHIBSC-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN(CCC#N)Cc1ccccn1 ZINC001591846463 1093883364 /nfs/dbraw/zinc/88/33/64/1093883364.db2.gz MFADOKQVXHSUID-UHFFFAOYSA-N -1 3 347.426 2.794 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN(CCC#N)Cc1ccccn1 ZINC001591846463 1093883371 /nfs/dbraw/zinc/88/33/71/1093883371.db2.gz MFADOKQVXHSUID-UHFFFAOYSA-N -1 3 347.426 2.794 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN1Cc2ccc(C#N)cc2C1 ZINC001591851859 1093891188 /nfs/dbraw/zinc/89/11/88/1093891188.db2.gz UJGJXZULKVWFKR-UHFFFAOYSA-N -1 3 330.395 2.871 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001591905838 1093910986 /nfs/dbraw/zinc/91/09/86/1093910986.db2.gz KKQMRJRTKXMBBQ-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591905838 1093910991 /nfs/dbraw/zinc/91/09/91/1093910991.db2.gz KKQMRJRTKXMBBQ-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CN1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001591905945 1093911665 /nfs/dbraw/zinc/91/16/65/1093911665.db2.gz PROLSQXZMZFJOM-UHFFFAOYSA-N -1 3 330.395 2.918 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001591905945 1093911669 /nfs/dbraw/zinc/91/16/69/1093911669.db2.gz PROLSQXZMZFJOM-UHFFFAOYSA-N -1 3 330.395 2.918 20 30 EFEDHM Cc1cc(C#N)cc(NC(C)(C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001591906350 1093913168 /nfs/dbraw/zinc/91/31/68/1093913168.db2.gz DBZMDJUECSFMHT-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1cc(C#N)cc(NC(C)(C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001591906350 1093913173 /nfs/dbraw/zinc/91/31/73/1093913173.db2.gz DBZMDJUECSFMHT-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc(C)c1C#N ZINC001591909166 1093913363 /nfs/dbraw/zinc/91/33/63/1093913363.db2.gz VFEZIWOJDPGVPJ-UHFFFAOYSA-N -1 3 332.367 2.632 20 30 EFEDHM Cc1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc(C)c1C#N ZINC001591909166 1093913368 /nfs/dbraw/zinc/91/33/68/1093913368.db2.gz VFEZIWOJDPGVPJ-UHFFFAOYSA-N -1 3 332.367 2.632 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001591906052 1093913910 /nfs/dbraw/zinc/91/39/10/1093913910.db2.gz SKUIHSUFEJVLFI-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001591906052 1093913915 /nfs/dbraw/zinc/91/39/15/1093913915.db2.gz SKUIHSUFEJVLFI-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(C#N)ccc1CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC001591906443 1093914086 /nfs/dbraw/zinc/91/40/86/1093914086.db2.gz JAOGYPBJGWBPSR-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(C#N)ccc1CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC001591906443 1093914092 /nfs/dbraw/zinc/91/40/92/1093914092.db2.gz JAOGYPBJGWBPSR-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)ncc1C#N ZINC001591933164 1093920042 /nfs/dbraw/zinc/92/00/42/1093920042.db2.gz ALQVTPUOJNTBTA-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)ncc1C#N ZINC001591933164 1093920045 /nfs/dbraw/zinc/92/00/45/1093920045.db2.gz ALQVTPUOJNTBTA-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1cc(C)c(C#N)c(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001591945982 1093926652 /nfs/dbraw/zinc/92/66/52/1093926652.db2.gz WEFYSYOCQZGGGZ-MRXNPFEDSA-N -1 3 331.383 2.850 20 30 EFEDHM Cc1cc(C)c(C#N)c(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001591945982 1093926655 /nfs/dbraw/zinc/92/66/55/1093926655.db2.gz WEFYSYOCQZGGGZ-MRXNPFEDSA-N -1 3 331.383 2.850 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C#N)c(F)cc1C ZINC001591986618 1093947426 /nfs/dbraw/zinc/94/74/26/1093947426.db2.gz RVPVSAXYTXSPIZ-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C#N)c(F)cc1C ZINC001591986618 1093947428 /nfs/dbraw/zinc/94/74/28/1093947428.db2.gz RVPVSAXYTXSPIZ-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592068354 1093973683 /nfs/dbraw/zinc/97/36/83/1093973683.db2.gz FYRNJNHOFOZVJE-CLFYSBASSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592068354 1093973688 /nfs/dbraw/zinc/97/36/88/1093973688.db2.gz FYRNJNHOFOZVJE-CLFYSBASSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC001592096263 1093977459 /nfs/dbraw/zinc/97/74/59/1093977459.db2.gz CNIWBTHHUSTDFP-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC001592096263 1093977464 /nfs/dbraw/zinc/97/74/64/1093977464.db2.gz CNIWBTHHUSTDFP-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)ccc2C)c(C#N)c1C ZINC001592100067 1093978731 /nfs/dbraw/zinc/97/87/31/1093978731.db2.gz RIUPVIPTZHGIMR-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)ccc2C)c(C#N)c1C ZINC001592100067 1093978736 /nfs/dbraw/zinc/97/87/36/1093978736.db2.gz RIUPVIPTZHGIMR-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592113640 1093984391 /nfs/dbraw/zinc/98/43/91/1093984391.db2.gz VFIBTAIFXIUKMV-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592113640 1093984393 /nfs/dbraw/zinc/98/43/93/1093984393.db2.gz VFIBTAIFXIUKMV-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC001592117984 1093986268 /nfs/dbraw/zinc/98/62/68/1093986268.db2.gz PHQJGYPNZVGYGE-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC001592117984 1093986272 /nfs/dbraw/zinc/98/62/72/1093986272.db2.gz PHQJGYPNZVGYGE-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c2c1CCC2 ZINC001592129965 1093990199 /nfs/dbraw/zinc/99/01/99/1093990199.db2.gz NISHVYOVBLXEJE-UHFFFAOYSA-N -1 3 344.378 2.788 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c2c1CCC2 ZINC001592129965 1093990202 /nfs/dbraw/zinc/99/02/02/1093990202.db2.gz NISHVYOVBLXEJE-UHFFFAOYSA-N -1 3 344.378 2.788 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C#N ZINC001592130168 1093990209 /nfs/dbraw/zinc/99/02/09/1093990209.db2.gz ZLZWIPRHWPFGCH-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C#N ZINC001592130168 1093990211 /nfs/dbraw/zinc/99/02/11/1093990211.db2.gz ZLZWIPRHWPFGCH-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)OCc2cc(F)ccc2C#N)cc1-c1nnn[n-]1 ZINC001592133713 1093992033 /nfs/dbraw/zinc/99/20/33/1093992033.db2.gz VMZKNMTZKYGYMV-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C(=O)OCc2cc(F)ccc2C#N)cc1-c1nn[n-]n1 ZINC001592133713 1093992037 /nfs/dbraw/zinc/99/20/37/1093992037.db2.gz VMZKNMTZKYGYMV-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1F ZINC001592145287 1093997663 /nfs/dbraw/zinc/99/76/63/1093997663.db2.gz YCQNBENOQXYVNN-AWNIVKPZSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1F ZINC001592145287 1093997667 /nfs/dbraw/zinc/99/76/67/1093997667.db2.gz YCQNBENOQXYVNN-AWNIVKPZSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc(CNc2cc(C#N)ccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001592166821 1094011019 /nfs/dbraw/zinc/01/10/19/1094011019.db2.gz JINHANZTZCHEMS-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc(CNc2cc(C#N)ccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001592166821 1094011025 /nfs/dbraw/zinc/01/10/25/1094011025.db2.gz JINHANZTZCHEMS-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc(N(CCC#N)C(=O)c2csc(-c3nnn[n-]3)c2)cc1 ZINC001592175161 1094018077 /nfs/dbraw/zinc/01/80/77/1094018077.db2.gz IVOMTRHKCWLWHX-UHFFFAOYSA-N -1 3 338.396 2.797 20 30 EFEDHM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001592249079 1094049665 /nfs/dbraw/zinc/04/96/65/1094049665.db2.gz GBEQMYSUUTTWEE-GFCCVEGCSA-N -1 3 332.367 2.789 20 30 EFEDHM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001592249079 1094049669 /nfs/dbraw/zinc/04/96/69/1094049669.db2.gz GBEQMYSUUTTWEE-GFCCVEGCSA-N -1 3 332.367 2.789 20 30 EFEDHM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001592249080 1094049679 /nfs/dbraw/zinc/04/96/79/1094049679.db2.gz GBEQMYSUUTTWEE-LBPRGKRZSA-N -1 3 332.367 2.789 20 30 EFEDHM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001592249080 1094049685 /nfs/dbraw/zinc/04/96/85/1094049685.db2.gz GBEQMYSUUTTWEE-LBPRGKRZSA-N -1 3 332.367 2.789 20 30 EFEDHM Cc1cccn2c(C=CC(=O)c3ccccc3-c3nnn[n-]3)cnc12 ZINC001592260547 1094056160 /nfs/dbraw/zinc/05/61/60/1094056160.db2.gz CTFANPYFPKQOAE-CMDGGOBGSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cccn2c(C=CC(=O)c3ccccc3-c3nn[n-]n3)cnc12 ZINC001592260547 1094056166 /nfs/dbraw/zinc/05/61/66/1094056166.db2.gz CTFANPYFPKQOAE-CMDGGOBGSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccnc(N2CCC(c3ccc(C#N)cc3)CC2)c1-c1nnn[n-]1 ZINC001592273370 1094059990 /nfs/dbraw/zinc/05/99/90/1094059990.db2.gz WDPWGGRRLCJUHB-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1ccnc(N2CCC(c3ccc(C#N)cc3)CC2)c1-c1nn[n-]n1 ZINC001592273370 1094059997 /nfs/dbraw/zinc/05/99/97/1094059997.db2.gz WDPWGGRRLCJUHB-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cn(Cc2ccc(Br)cc2C#N)cc1-c1nnn[n-]1 ZINC001592287631 1094066655 /nfs/dbraw/zinc/06/66/55/1094066655.db2.gz VDYVIOVDASABII-UHFFFAOYSA-N -1 3 343.188 2.659 20 30 EFEDHM Cc1cn(Cc2ccc(Br)cc2C#N)cc1-c1nn[n-]n1 ZINC001592287631 1094066659 /nfs/dbraw/zinc/06/66/59/1094066659.db2.gz VDYVIOVDASABII-UHFFFAOYSA-N -1 3 343.188 2.659 20 30 EFEDHM Cc1cncc([C@@H]2CCCN2c2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001592299357 1094069510 /nfs/dbraw/zinc/06/95/10/1094069510.db2.gz YKYHCJGFECSRFU-INIZCTEOSA-N -1 3 331.383 2.783 20 30 EFEDHM Cc1cncc([C@@H]2CCCN2c2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001592299357 1094069518 /nfs/dbraw/zinc/06/95/18/1094069518.db2.gz YKYHCJGFECSRFU-INIZCTEOSA-N -1 3 331.383 2.783 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001592341105 1094080798 /nfs/dbraw/zinc/08/07/98/1094080798.db2.gz QSTHEYUZFWPHDO-UKRRQHHQSA-N -1 3 333.399 2.827 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001592341105 1094080804 /nfs/dbraw/zinc/08/08/04/1094080804.db2.gz QSTHEYUZFWPHDO-UKRRQHHQSA-N -1 3 333.399 2.827 20 30 EFEDHM Cc1nc(C)c(C#N)c(SCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC001592353487 1094085984 /nfs/dbraw/zinc/08/59/84/1094085984.db2.gz MUYSHPDTKPHNPM-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nc(C)c(C#N)c(SCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC001592353487 1094085991 /nfs/dbraw/zinc/08/59/91/1094085991.db2.gz MUYSHPDTKPHNPM-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nc(NCc2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1C#N ZINC001592395607 1094099002 /nfs/dbraw/zinc/09/90/02/1094099002.db2.gz KKTUAPGLUXVSPS-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1nc(NCc2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1C#N ZINC001592395607 1094099007 /nfs/dbraw/zinc/09/90/07/1094099007.db2.gz KKTUAPGLUXVSPS-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1nsc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C#N ZINC001592493164 1094113106 /nfs/dbraw/zinc/11/31/06/1094113106.db2.gz ORHXRNKCHFWYGC-UHFFFAOYSA-N -1 3 331.792 2.769 20 30 EFEDHM Cc1nsc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C#N ZINC001592493164 1094113116 /nfs/dbraw/zinc/11/31/16/1094113116.db2.gz ORHXRNKCHFWYGC-UHFFFAOYSA-N -1 3 331.792 2.769 20 30 EFEDHM Cc1sc(NC(=O)c2cccc(CC#N)c2)c(-c2nnn[n-]2)c1C ZINC001592520659 1094117840 /nfs/dbraw/zinc/11/78/40/1094117840.db2.gz JJJKSLCQQZGJDM-UHFFFAOYSA-N -1 3 338.396 2.863 20 30 EFEDHM Cc1sc(NC(=O)c2cccc(CC#N)c2)c(-c2nn[n-]n2)c1C ZINC001592520659 1094117843 /nfs/dbraw/zinc/11/78/43/1094117843.db2.gz JJJKSLCQQZGJDM-UHFFFAOYSA-N -1 3 338.396 2.863 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001592524435 1094120083 /nfs/dbraw/zinc/12/00/83/1094120083.db2.gz JAXKJTYNSPEHRV-SCVCMEIPSA-N -1 3 329.795 2.915 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1 ZINC001592524435 1094120085 /nfs/dbraw/zinc/12/00/85/1094120085.db2.gz JAXKJTYNSPEHRV-SCVCMEIPSA-N -1 3 329.795 2.915 20 30 EFEDHM Clc1ccc(C=NOCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592527730 1094124181 /nfs/dbraw/zinc/12/41/81/1094124181.db2.gz ILOCKVZGYHQTES-UHFFFAOYSA-N -1 3 343.774 2.950 20 30 EFEDHM Clc1cccc(C#CCN2Cc3cccc(-c4nnn[n-]4)c3C2)c1 ZINC001592535056 1094129715 /nfs/dbraw/zinc/12/97/15/1094129715.db2.gz WJXRXAIBEMSOJT-UHFFFAOYSA-N -1 3 335.798 2.887 20 30 EFEDHM Clc1cccc(C#CCN2Cc3cccc(-c4nn[n-]n4)c3C2)c1 ZINC001592535056 1094129716 /nfs/dbraw/zinc/12/97/16/1094129716.db2.gz WJXRXAIBEMSOJT-UHFFFAOYSA-N -1 3 335.798 2.887 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592600594 1094137077 /nfs/dbraw/zinc/13/70/77/1094137077.db2.gz NDBSQKHSVIVEIX-CMDGGOBGSA-N -1 3 334.383 2.764 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592600594 1094137080 /nfs/dbraw/zinc/13/70/80/1094137080.db2.gz NDBSQKHSVIVEIX-CMDGGOBGSA-N -1 3 334.383 2.764 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592600595 1094137605 /nfs/dbraw/zinc/13/76/05/1094137605.db2.gz NDBSQKHSVIVEIX-HJWRWDBZSA-N -1 3 334.383 2.764 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592600595 1094137612 /nfs/dbraw/zinc/13/76/12/1094137612.db2.gz NDBSQKHSVIVEIX-HJWRWDBZSA-N -1 3 334.383 2.764 20 30 EFEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NC[C@@H]1CCCOC1 ZINC001592619612 1094141676 /nfs/dbraw/zinc/14/16/76/1094141676.db2.gz HRRTVYIAPRCGHN-VIFPVBQESA-N -1 3 340.309 2.710 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NC[C@@H]1CCCOC1 ZINC001592619612 1094141679 /nfs/dbraw/zinc/14/16/79/1094141679.db2.gz HRRTVYIAPRCGHN-VIFPVBQESA-N -1 3 340.309 2.710 20 30 EFEDHM FC1(F)CCC(NN=C2CCc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC001592629045 1094147659 /nfs/dbraw/zinc/14/76/59/1094147659.db2.gz ZSJYVDIHIXEXKT-UHFFFAOYSA-N -1 3 332.358 2.685 20 30 EFEDHM FC1(F)CCC(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001592629045 1094147662 /nfs/dbraw/zinc/14/76/62/1094147662.db2.gz ZSJYVDIHIXEXKT-UHFFFAOYSA-N -1 3 332.358 2.685 20 30 EFEDHM Fc1ccc(CC=CN=NCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001592648288 1094161426 /nfs/dbraw/zinc/16/14/26/1094161426.db2.gz GJAJTYZQGSPYFF-QUOARBMVSA-N -1 3 340.337 2.934 20 30 EFEDHM Fc1ccc(CC=CN=NCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001592648288 1094161428 /nfs/dbraw/zinc/16/14/28/1094161428.db2.gz GJAJTYZQGSPYFF-QUOARBMVSA-N -1 3 340.337 2.934 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCC1CCCC1 ZINC001592669473 1094172779 /nfs/dbraw/zinc/17/27/79/1094172779.db2.gz SDVUEQGCFLXXQF-INIZCTEOSA-N -1 3 339.399 2.672 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCC1CCCC1 ZINC001592669473 1094172780 /nfs/dbraw/zinc/17/27/80/1094172780.db2.gz SDVUEQGCFLXXQF-INIZCTEOSA-N -1 3 339.399 2.672 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCC1CCC1 ZINC001592669448 1094172827 /nfs/dbraw/zinc/17/28/27/1094172827.db2.gz RVAKOEYAYXUCAB-INIZCTEOSA-N -1 3 339.399 2.672 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCC1CCC1 ZINC001592669448 1094172831 /nfs/dbraw/zinc/17/28/31/1094172831.db2.gz RVAKOEYAYXUCAB-INIZCTEOSA-N -1 3 339.399 2.672 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-c2nnn[n-]2)ccn1 ZINC001592669245 1094172922 /nfs/dbraw/zinc/17/29/22/1094172922.db2.gz MSKIOYFADMGUQG-ZWKOTPCHSA-N -1 3 345.410 2.533 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-c2nn[n-]n2)ccn1 ZINC001592669245 1094172925 /nfs/dbraw/zinc/17/29/25/1094172925.db2.gz MSKIOYFADMGUQG-ZWKOTPCHSA-N -1 3 345.410 2.533 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001592668232 1094173050 /nfs/dbraw/zinc/17/30/50/1094173050.db2.gz BIFBVVFXWHRHPQ-GOSISDBHSA-N -1 3 345.410 2.706 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592668232 1094173055 /nfs/dbraw/zinc/17/30/55/1094173055.db2.gz BIFBVVFXWHRHPQ-GOSISDBHSA-N -1 3 345.410 2.706 20 30 EFEDHM N#C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CC2CCC1CC2 ZINC001592667108 1094173422 /nfs/dbraw/zinc/17/34/22/1094173422.db2.gz PAZDMPWXTNYPQV-NQMJSUOBSA-N -1 3 340.362 2.664 20 30 EFEDHM N#C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CC2CCC1CC2 ZINC001592667108 1094173424 /nfs/dbraw/zinc/17/34/24/1094173424.db2.gz PAZDMPWXTNYPQV-NQMJSUOBSA-N -1 3 340.362 2.664 20 30 EFEDHM N#C[C@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672684 1094174347 /nfs/dbraw/zinc/17/43/47/1094174347.db2.gz MIZFRZDTSWSZOA-VCOSZWKGSA-N -1 3 337.383 2.596 20 30 EFEDHM N#C[C@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592672684 1094174357 /nfs/dbraw/zinc/17/43/57/1094174357.db2.gz MIZFRZDTSWSZOA-VCOSZWKGSA-N -1 3 337.383 2.596 20 30 EFEDHM N#CCC1(CNc2cc(Br)ccc2-c2nnn[n-]2)CC1 ZINC001592674863 1094174930 /nfs/dbraw/zinc/17/49/30/1094174930.db2.gz IMOYTORWVVAYQL-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CCC1(CNc2cc(Br)ccc2-c2nn[n-]n2)CC1 ZINC001592674863 1094174931 /nfs/dbraw/zinc/17/49/31/1094174931.db2.gz IMOYTORWVVAYQL-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001592673574 1094175039 /nfs/dbraw/zinc/17/50/39/1094175039.db2.gz HDWUCSSWBWMDFH-SNVBAGLBSA-N -1 3 345.794 2.678 20 30 EFEDHM N#CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001592673574 1094175047 /nfs/dbraw/zinc/17/50/47/1094175047.db2.gz HDWUCSSWBWMDFH-SNVBAGLBSA-N -1 3 345.794 2.678 20 30 EFEDHM N#Cc1c(F)cccc1N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001592686419 1094176234 /nfs/dbraw/zinc/17/62/34/1094176234.db2.gz JGLRBKYWZZFHQR-UHFFFAOYSA-N -1 3 349.373 2.656 20 30 EFEDHM N#Cc1c(F)cccc1N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592686419 1094176237 /nfs/dbraw/zinc/17/62/37/1094176237.db2.gz JGLRBKYWZZFHQR-UHFFFAOYSA-N -1 3 349.373 2.656 20 30 EFEDHM N#CCc1cccc2c1CCN(Cc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC001592681283 1094176414 /nfs/dbraw/zinc/17/64/14/1094176414.db2.gz ZZAKEFJZUAVGLP-UHFFFAOYSA-N -1 3 348.385 2.630 20 30 EFEDHM N#CCc1cccc2c1CCN(c1cc(F)ccc1-c1nnn[n-]1)C2 ZINC001592681061 1094176666 /nfs/dbraw/zinc/17/66/66/1094176666.db2.gz UPJWAXHLGMFZRO-UHFFFAOYSA-N -1 3 334.358 2.635 20 30 EFEDHM N#CCc1cccc2c1CCN(c1cc(F)ccc1-c1nn[n-]n1)C2 ZINC001592681061 1094176668 /nfs/dbraw/zinc/17/66/68/1094176668.db2.gz UPJWAXHLGMFZRO-UHFFFAOYSA-N -1 3 334.358 2.635 20 30 EFEDHM N#CCn1c(C=Cc2ccc(-c3nnn[n-]3)cc2)nc2ccccc21 ZINC001592680631 1094176673 /nfs/dbraw/zinc/17/66/73/1094176673.db2.gz AQEFHPCSNMKOJK-YFHOEESVSA-N -1 3 327.351 2.910 20 30 EFEDHM N#CCn1c(C=Cc2ccc(-c3nn[n-]n3)cc2)nc2ccccc21 ZINC001592680631 1094176677 /nfs/dbraw/zinc/17/66/77/1094176677.db2.gz AQEFHPCSNMKOJK-YFHOEESVSA-N -1 3 327.351 2.910 20 30 EFEDHM N#Cc1c(NCCCCF)nc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC001592685670 1094176684 /nfs/dbraw/zinc/17/66/84/1094176684.db2.gz WULJIPWVPIQGQF-UHFFFAOYSA-N -1 3 343.410 2.954 20 30 EFEDHM N#Cc1c(NCCCCF)nc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC001592685670 1094176687 /nfs/dbraw/zinc/17/66/87/1094176687.db2.gz WULJIPWVPIQGQF-UHFFFAOYSA-N -1 3 343.410 2.954 20 30 EFEDHM N#Cc1cc(F)cc(NC(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)c1 ZINC001592689463 1094177270 /nfs/dbraw/zinc/17/72/70/1094177270.db2.gz FUQQXLKFKRVPNR-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#Cc1cc(F)cc(NC(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)c1 ZINC001592689463 1094177271 /nfs/dbraw/zinc/17/72/71/1094177271.db2.gz FUQQXLKFKRVPNR-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#Cc1cc(F)c(CNc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC001592688176 1094177309 /nfs/dbraw/zinc/17/73/09/1094177309.db2.gz FQOJOYWXHSPUIS-UHFFFAOYSA-N -1 3 330.273 2.768 20 30 EFEDHM N#Cc1cc(F)c(CNc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC001592688176 1094177311 /nfs/dbraw/zinc/17/73/11/1094177311.db2.gz FQOJOYWXHSPUIS-UHFFFAOYSA-N -1 3 330.273 2.768 20 30 EFEDHM N#Cc1cc(N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)ccn1 ZINC001592689625 1094177326 /nfs/dbraw/zinc/17/73/26/1094177326.db2.gz OUWJUJRITTUHTP-UHFFFAOYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2CCCC(F)(F)C2)ccc1-c1nnn[n-]1 ZINC001592689312 1094177351 /nfs/dbraw/zinc/17/73/51/1094177351.db2.gz SSJYVQRSCCIFHO-VIFPVBQESA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2CCCC(F)(F)C2)ccc1-c1nn[n-]n1 ZINC001592689312 1094177354 /nfs/dbraw/zinc/17/73/54/1094177354.db2.gz SSJYVQRSCCIFHO-VIFPVBQESA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)ccc1F ZINC001592687979 1094177367 /nfs/dbraw/zinc/17/73/67/1094177367.db2.gz PUJNPWKPAXIUSS-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC001592687979 1094177368 /nfs/dbraw/zinc/17/73/68/1094177368.db2.gz PUJNPWKPAXIUSS-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(Oc2ccc(Br)cc2-c2nnn[n-]2)ccn1 ZINC001592690253 1094177488 /nfs/dbraw/zinc/17/74/88/1094177488.db2.gz SRHRPTKSCHJUAB-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1cc(Oc2ccc(Br)cc2-c2nn[n-]n2)ccn1 ZINC001592690253 1094177491 /nfs/dbraw/zinc/17/74/91/1094177491.db2.gz SRHRPTKSCHJUAB-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001592693845 1094178436 /nfs/dbraw/zinc/17/84/36/1094178436.db2.gz AEPJMCUVFIEACY-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001592693845 1094178442 /nfs/dbraw/zinc/17/84/42/1094178442.db2.gz AEPJMCUVFIEACY-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592693635 1094178787 /nfs/dbraw/zinc/17/87/87/1094178787.db2.gz RMJJQGIVBLOKOF-UHFFFAOYSA-N -1 3 325.715 2.611 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592693635 1094178791 /nfs/dbraw/zinc/17/87/91/1094178791.db2.gz RMJJQGIVBLOKOF-UHFFFAOYSA-N -1 3 325.715 2.611 20 30 EFEDHM N#Cc1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001592693513 1094178927 /nfs/dbraw/zinc/17/89/27/1094178927.db2.gz IDGHEVCTDSYCSV-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001592693513 1094178931 /nfs/dbraw/zinc/17/89/31/1094178931.db2.gz IDGHEVCTDSYCSV-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(COc2nc3c(cc2-c2nnn[n-]2)CCCCC3)o1 ZINC001592693907 1094179002 /nfs/dbraw/zinc/17/90/02/1094179002.db2.gz FAXDSULNQPHUHC-UHFFFAOYSA-N -1 3 336.355 2.574 20 30 EFEDHM N#Cc1ccc(COc2nc3c(cc2-c2nn[n-]n2)CCCCC3)o1 ZINC001592693907 1094179005 /nfs/dbraw/zinc/17/90/05/1094179005.db2.gz FAXDSULNQPHUHC-UHFFFAOYSA-N -1 3 336.355 2.574 20 30 EFEDHM N#Cc1ccc(COC(=O)c2sccc2-c2nnn[n-]2)c(Cl)c1 ZINC001592693923 1094179555 /nfs/dbraw/zinc/17/95/55/1094179555.db2.gz GHZCNAWHWVBYKA-UHFFFAOYSA-N -1 3 345.771 2.810 20 30 EFEDHM N#Cc1ccc(OCCCN2CCc3c2cccc3-c2nnn[n-]2)cc1 ZINC001592695618 1094179873 /nfs/dbraw/zinc/17/98/73/1094179873.db2.gz AHNKWNHVHHCKGJ-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1ccc(OCCCN2CCc3c2cccc3-c2nn[n-]n2)cc1 ZINC001592695618 1094179876 /nfs/dbraw/zinc/17/98/76/1094179876.db2.gz AHNKWNHVHHCKGJ-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC001592696952 1094180027 /nfs/dbraw/zinc/18/00/27/1094180027.db2.gz ABFVSKVPUNWYSY-WLRTZDKTSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC001592696952 1094180031 /nfs/dbraw/zinc/18/00/31/1094180031.db2.gz ABFVSKVPUNWYSY-WLRTZDKTSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc(NC(=O)c2csc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001592696311 1094180042 /nfs/dbraw/zinc/18/00/42/1094180042.db2.gz XEDUEGRSBOVIQM-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc2c(c1)CN(c1ncc(-c3nnn[n-]3)c3ccsc31)C2 ZINC001592698060 1094180710 /nfs/dbraw/zinc/18/07/10/1094180710.db2.gz GPBQOLPOEONSSL-UHFFFAOYSA-N -1 3 345.391 2.868 20 30 EFEDHM N#Cc1ccc2c(c1)CN(c1ncc(-c3nn[n-]n3)c3ccsc31)C2 ZINC001592698060 1094180712 /nfs/dbraw/zinc/18/07/12/1094180712.db2.gz GPBQOLPOEONSSL-UHFFFAOYSA-N -1 3 345.391 2.868 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC001592698001 1094180736 /nfs/dbraw/zinc/18/07/36/1094180736.db2.gz FDUACVFGQYGGRB-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001592698001 1094180737 /nfs/dbraw/zinc/18/07/37/1094180737.db2.gz FDUACVFGQYGGRB-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001592697503 1094180746 /nfs/dbraw/zinc/18/07/46/1094180746.db2.gz JOAAVOQLDCNIAP-AWEZNQCLSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001592697503 1094180748 /nfs/dbraw/zinc/18/07/48/1094180748.db2.gz JOAAVOQLDCNIAP-AWEZNQCLSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1CCCN(c2ccccc2)C1 ZINC001592698864 1094181502 /nfs/dbraw/zinc/18/15/02/1094181502.db2.gz LASSLBYVUNOIMN-HNNXBMFYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1CCCN(c2ccccc2)C1 ZINC001592698864 1094181505 /nfs/dbraw/zinc/18/15/05/1094181505.db2.gz LASSLBYVUNOIMN-HNNXBMFYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cccc(OCCN2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001592700183 1094181568 /nfs/dbraw/zinc/18/15/68/1094181568.db2.gz IBQRZDALCBKEPT-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1cccc(Cn2cccn2)c1 ZINC001592699780 1094181585 /nfs/dbraw/zinc/18/15/85/1094181585.db2.gz MEMSXPZTWLUZGG-UHFFFAOYSA-N -1 3 342.366 2.727 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1cccc(Cn2cccn2)c1 ZINC001592699780 1094181587 /nfs/dbraw/zinc/18/15/87/1094181587.db2.gz MEMSXPZTWLUZGG-UHFFFAOYSA-N -1 3 342.366 2.727 20 30 EFEDHM N#Cc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(F)c3)CC2)c1 ZINC001592700301 1094181601 /nfs/dbraw/zinc/18/16/01/1094181601.db2.gz CCALLEYGKQWRON-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)c(F)c3)CC2)c1 ZINC001592700301 1094181603 /nfs/dbraw/zinc/18/16/03/1094181603.db2.gz CCALLEYGKQWRON-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2c(F)cc(F)cc2C1 ZINC001592698805 1094181634 /nfs/dbraw/zinc/18/16/34/1094181634.db2.gz IVOFQIICUSTXPJ-UHFFFAOYSA-N -1 3 338.321 2.579 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2c(F)cc(F)cc2C1 ZINC001592698805 1094181636 /nfs/dbraw/zinc/18/16/36/1094181636.db2.gz IVOFQIICUSTXPJ-UHFFFAOYSA-N -1 3 338.321 2.579 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1SCc1ccc([N+](=O)[O-])cc1 ZINC001592700601 1094181797 /nfs/dbraw/zinc/18/17/97/1094181797.db2.gz LRGRNNUZKYHIIY-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1SCc1ccc([N+](=O)[O-])cc1 ZINC001592700601 1094181803 /nfs/dbraw/zinc/18/18/03/1094181803.db2.gz LRGRNNUZKYHIIY-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccc(OC(F)F)cc1 ZINC001592699953 1094181885 /nfs/dbraw/zinc/18/18/85/1094181885.db2.gz UGNJTRNVSZTKNK-UHFFFAOYSA-N -1 3 342.309 2.952 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc(OC(F)F)cc1 ZINC001592699953 1094181888 /nfs/dbraw/zinc/18/18/88/1094181888.db2.gz UGNJTRNVSZTKNK-UHFFFAOYSA-N -1 3 342.309 2.952 20 30 EFEDHM N#Cc1cccc(OCCOc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC001592700386 1094181933 /nfs/dbraw/zinc/18/19/33/1094181933.db2.gz QTLRNIFEYGVBFL-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1cccc(OCCOc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC001592700386 1094181937 /nfs/dbraw/zinc/18/19/37/1094181937.db2.gz QTLRNIFEYGVBFL-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1nc(NCc2ccc(-c3nnn[n-]3)c(F)c2)sc1Cl ZINC001592707648 1094182553 /nfs/dbraw/zinc/18/25/53/1094182553.db2.gz SBNMGEBOMOXLRQ-UHFFFAOYSA-N -1 3 335.755 2.599 20 30 EFEDHM N#Cc1nc(NCc2ccc(-c3nn[n-]n3)c(F)c2)sc1Cl ZINC001592707648 1094182559 /nfs/dbraw/zinc/18/25/59/1094182559.db2.gz SBNMGEBOMOXLRQ-UHFFFAOYSA-N -1 3 335.755 2.599 20 30 EFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1-c1nnn[n-]1 ZINC001592792712 1094187862 /nfs/dbraw/zinc/18/78/62/1094187862.db2.gz SCMMFUWLSSQJJN-VURMDHGXSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1-c1nn[n-]n1 ZINC001592792712 1094187865 /nfs/dbraw/zinc/18/78/65/1094187865.db2.gz SCMMFUWLSSQJJN-VURMDHGXSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccnn1-c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001592802149 1094191201 /nfs/dbraw/zinc/19/12/01/1094191201.db2.gz ORLGDKBMEZJVQA-KHPPLWFESA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccnn1-c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001592802149 1094191202 /nfs/dbraw/zinc/19/12/02/1094191202.db2.gz ORLGDKBMEZJVQA-KHPPLWFESA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1cc(-c2nnn[n-]2)ccn1 ZINC001592802842 1094192523 /nfs/dbraw/zinc/19/25/23/1094192523.db2.gz ZWIJVYUQKLSTMZ-PLNGDYQASA-N -1 3 338.396 2.882 20 30 EFEDHM O=C(C=Cc1cnc(C2CCC2)s1)c1cc(-c2nn[n-]n2)ccn1 ZINC001592802842 1094192525 /nfs/dbraw/zinc/19/25/25/1094192525.db2.gz ZWIJVYUQKLSTMZ-PLNGDYQASA-N -1 3 338.396 2.882 20 30 EFEDHM O=C1C(=Cc2ccc(Cl)nc2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593376511 1094303056 /nfs/dbraw/zinc/30/30/56/1094303056.db2.gz RLGBIGRFUJWWRJ-WZUFQYTHSA-N -1 3 338.758 2.523 20 30 EFEDHM O=C1C(=Cc2ccc(Cl)nc2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593376511 1094303067 /nfs/dbraw/zinc/30/30/67/1094303067.db2.gz RLGBIGRFUJWWRJ-WZUFQYTHSA-N -1 3 338.758 2.523 20 30 EFEDHM O=C1c2cccc(F)c2OCC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001593379723 1094303095 /nfs/dbraw/zinc/30/30/95/1094303095.db2.gz IBBUDNZYHKQHJP-JXMROGBWSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cccc(F)c2OCC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001593379723 1094303103 /nfs/dbraw/zinc/30/31/03/1094303103.db2.gz IBBUDNZYHKQHJP-JXMROGBWSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Oc2cc(F)cc(F)c21 ZINC001593376456 1094303135 /nfs/dbraw/zinc/30/31/35/1094303135.db2.gz OADFIMWXSMVADC-YHYXMXQVSA-N -1 3 332.291 2.823 20 30 EFEDHM O=C1C(=Cc2cnn(CC3CCC3)c2)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593381235 1094303283 /nfs/dbraw/zinc/30/32/83/1094303283.db2.gz YBINTROINRTESO-OMCISZLKSA-N -1 3 346.394 2.686 20 30 EFEDHM O=C1C(=Cc2cnn(CC3CCC3)c2)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593381235 1094303289 /nfs/dbraw/zinc/30/32/89/1094303289.db2.gz YBINTROINRTESO-OMCISZLKSA-N -1 3 346.394 2.686 20 30 EFEDHM c1[nH]nc2ccc(NN=C3CCc4ccc(-c5nn[n-]n5)cc43)cc12 ZINC001593562495 1094370457 /nfs/dbraw/zinc/37/04/57/1094370457.db2.gz MBPMDUBWJJSXCV-UHFFFAOYSA-N -1 3 330.355 2.505 20 30 EFEDHM C[C@@]1(C#N)CCCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001597260781 1094576366 /nfs/dbraw/zinc/57/63/66/1094576366.db2.gz YEEWRJKGULUFHT-KRWDZBQOSA-N -1 3 329.787 2.947 20 30 EFEDHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCN(c2ccccc2C#N)CC1 ZINC001600567846 1095172769 /nfs/dbraw/zinc/17/27/69/1095172769.db2.gz MPYFLUQMPIOCNN-IBGZPJMESA-N -1 3 335.407 2.815 20 30 EFEDHM Cn1c(Cl)cnc1C(C#N)C(=O)CCc1ccccc1C(=O)[O-] ZINC001600917836 1095428488 /nfs/dbraw/zinc/42/84/88/1095428488.db2.gz KGFINCUXKXGWFS-GFCCVEGCSA-N -1 3 331.759 2.581 20 30 EFEDHM Cn1ncc2c1CC(C)(C)CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC001601030718 1095474487 /nfs/dbraw/zinc/47/44/87/1095474487.db2.gz OCJGFFUYSDTFFG-QGZVFWFLSA-N -1 3 338.411 2.502 20 30 EFEDHM N#CC(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1cnc2ccccc2n1 ZINC001601046853 1095477692 /nfs/dbraw/zinc/47/76/92/1095477692.db2.gz DVGDTNRVTXFFGP-GFCCVEGCSA-N -1 3 335.294 2.957 20 30 EFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(C(=O)[O-])co1 ZINC001601046768 1095477788 /nfs/dbraw/zinc/47/77/88/1095477788.db2.gz BQOWFIBXNAUNMN-NSHDSACASA-N -1 3 332.699 2.592 20 30 EFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)[O-])o1 ZINC001601047120 1095478116 /nfs/dbraw/zinc/47/81/16/1095478116.db2.gz JLUKGRDOOIDLLE-SNVBAGLBSA-N -1 3 332.699 2.592 20 30 EFEDHM N#Cc1ccc(Br)c(CN[C@@H](CC(F)F)C(=O)[O-])c1 ZINC001601092728 1095503941 /nfs/dbraw/zinc/50/39/41/1095503941.db2.gz KIJKBIDEUZRKGD-JTQLQIEISA-N -1 3 333.132 2.519 20 30 EFEDHM N#Cc1ccc([C@H](NCc2ccc(NC(=O)C3CC3)cc2)C(=O)[O-])cc1 ZINC001601097135 1095508120 /nfs/dbraw/zinc/50/81/20/1095508120.db2.gz YFXYFUVHZYYJAE-SFHVURJKSA-N -1 3 349.390 2.822 20 30 EFEDHM N#Cc1ccc(OC2CCN([C@H](C(=O)[O-])c3cccnc3)CC2)cc1 ZINC001601109417 1095518499 /nfs/dbraw/zinc/51/84/99/1095518499.db2.gz SSDKRORCRNLESN-SFHVURJKSA-N -1 3 337.379 2.622 20 30 EFEDHM Cc1cc(C#N)ccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000893669379 1095691384 /nfs/dbraw/zinc/69/13/84/1095691384.db2.gz NZODWFRQTACASN-UHFFFAOYSA-N -1 3 325.334 2.762 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCc2c1c(F)ccc2F ZINC000749609083 1095919134 /nfs/dbraw/zinc/91/91/34/1095919134.db2.gz SQCBZXBTXDZXBK-UHFFFAOYSA-N -1 3 336.363 2.735 20 30 EFEDHM C#C[C@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)c1ccc(F)cc1 ZINC001602689304 1096350730 /nfs/dbraw/zinc/35/07/30/1096350730.db2.gz QPCFSOABHPUANI-INIZCTEOSA-N -1 3 349.369 2.727 20 30 EFEDHM C#C[C@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)c1ccc(F)cc1 ZINC001602689304 1096350735 /nfs/dbraw/zinc/35/07/35/1096350735.db2.gz QPCFSOABHPUANI-INIZCTEOSA-N -1 3 349.369 2.727 20 30 EFEDHM C#C[C@H](NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(F)cc1 ZINC001602691288 1096351871 /nfs/dbraw/zinc/35/18/71/1096351871.db2.gz VJKFYLSVHHKSAH-INIZCTEOSA-N -1 3 325.322 2.609 20 30 EFEDHM C#C[C@H](NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(F)cc1 ZINC001602691288 1096351877 /nfs/dbraw/zinc/35/18/77/1096351877.db2.gz VJKFYLSVHHKSAH-INIZCTEOSA-N -1 3 325.322 2.609 20 30 EFEDHM C#C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001602689451 1096351942 /nfs/dbraw/zinc/35/19/42/1096351942.db2.gz RHHVEZUMJHJLLJ-HNNXBMFYSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001602689451 1096351948 /nfs/dbraw/zinc/35/19/48/1096351948.db2.gz RHHVEZUMJHJLLJ-HNNXBMFYSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001602689121 1096352163 /nfs/dbraw/zinc/35/21/63/1096352163.db2.gz CAUWSSZWPJYITE-LBPRGKRZSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602689121 1096352170 /nfs/dbraw/zinc/35/21/70/1096352170.db2.gz CAUWSSZWPJYITE-LBPRGKRZSA-N -1 3 348.366 2.802 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001602696752 1096352929 /nfs/dbraw/zinc/35/29/29/1096352929.db2.gz FENAHDXFOGLYLJ-INIZCTEOSA-N -1 3 346.394 2.623 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001602696752 1096352936 /nfs/dbraw/zinc/35/29/36/1096352936.db2.gz FENAHDXFOGLYLJ-INIZCTEOSA-N -1 3 346.394 2.623 20 30 EFEDHM C#CCC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001602696121 1096353618 /nfs/dbraw/zinc/35/36/18/1096353618.db2.gz BCZTUQLBZLXKIE-UHFFFAOYSA-N -1 3 348.204 2.617 20 30 EFEDHM C#CCC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001602696121 1096353621 /nfs/dbraw/zinc/35/36/21/1096353621.db2.gz BCZTUQLBZLXKIE-UHFFFAOYSA-N -1 3 348.204 2.617 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001602697912 1096353860 /nfs/dbraw/zinc/35/38/60/1096353860.db2.gz VOIBHGRNEJUPCW-KRWDZBQOSA-N -1 3 346.394 2.623 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001602697912 1096353867 /nfs/dbraw/zinc/35/38/67/1096353867.db2.gz VOIBHGRNEJUPCW-KRWDZBQOSA-N -1 3 346.394 2.623 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001602718387 1096357108 /nfs/dbraw/zinc/35/71/08/1096357108.db2.gz UDNCHWUPEKMJFD-UHFFFAOYSA-N -1 3 335.386 2.950 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)c1 ZINC001602741341 1096359453 /nfs/dbraw/zinc/35/94/53/1096359453.db2.gz GNWDEUSGDVSXPU-UHFFFAOYSA-N -1 3 331.379 2.741 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)c1 ZINC001602741341 1096359458 /nfs/dbraw/zinc/35/94/58/1096359458.db2.gz GNWDEUSGDVSXPU-UHFFFAOYSA-N -1 3 331.379 2.741 20 30 EFEDHM C#Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001602741230 1096359606 /nfs/dbraw/zinc/35/96/06/1096359606.db2.gz AJLXWRUWUPCZJB-ZDUSSCGKSA-N -1 3 331.379 2.665 20 30 EFEDHM C#Cc1ccc(NC(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602741230 1096359613 /nfs/dbraw/zinc/35/96/13/1096359613.db2.gz AJLXWRUWUPCZJB-ZDUSSCGKSA-N -1 3 331.379 2.665 20 30 EFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)C1([C@H]2CCCCO2)CCC1 ZINC001602745623 1096361296 /nfs/dbraw/zinc/36/12/96/1096361296.db2.gz LTVZGDKRUQYVRW-MRXNPFEDSA-N -1 3 340.431 2.682 20 30 EFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)C1([C@H]2CCCCO2)CCC1 ZINC001602745623 1096361304 /nfs/dbraw/zinc/36/13/04/1096361304.db2.gz LTVZGDKRUQYVRW-MRXNPFEDSA-N -1 3 340.431 2.682 20 30 EFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)c[nH]1 ZINC001602746231 1096361796 /nfs/dbraw/zinc/36/17/96/1096361796.db2.gz KFDQQBZIGUPXPJ-UHFFFAOYSA-N -1 3 330.355 2.703 20 30 EFEDHM C=C(C)CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001602758934 1096364482 /nfs/dbraw/zinc/36/44/82/1096364482.db2.gz WHTFOJDPKMEGTL-UHFFFAOYSA-N -1 3 326.404 2.507 20 30 EFEDHM C=C(C)CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001602758934 1096364488 /nfs/dbraw/zinc/36/44/88/1096364488.db2.gz WHTFOJDPKMEGTL-UHFFFAOYSA-N -1 3 326.404 2.507 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)[O-])c2OC)CC1 ZINC001602762518 1096366634 /nfs/dbraw/zinc/36/66/34/1096366634.db2.gz UXUFZTJWTMENHB-UHFFFAOYSA-N -1 3 347.415 2.555 20 30 EFEDHM C=C(C)CNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001602763032 1096366796 /nfs/dbraw/zinc/36/67/96/1096366796.db2.gz UTRFZXHQNASYJJ-UHFFFAOYSA-N -1 3 348.410 2.909 20 30 EFEDHM C=C(C)CNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001602763032 1096366806 /nfs/dbraw/zinc/36/68/06/1096366806.db2.gz UTRFZXHQNASYJJ-UHFFFAOYSA-N -1 3 348.410 2.909 20 30 EFEDHM C=C(CNC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001602768276 1096367696 /nfs/dbraw/zinc/36/76/96/1096367696.db2.gz WADGEFPDXCDQSE-UHFFFAOYSA-N -1 3 347.422 2.856 20 30 EFEDHM C=C(CNC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001602768276 1096367705 /nfs/dbraw/zinc/36/77/05/1096367705.db2.gz WADGEFPDXCDQSE-UHFFFAOYSA-N -1 3 347.422 2.856 20 30 EFEDHM C=C1CCC(C(=O)Nc2n[nH]c3cc(-c4nnn[n-]4)c(C)cc32)CC1 ZINC001602774991 1096368635 /nfs/dbraw/zinc/36/86/35/1096368635.db2.gz DQTGXGGSBHJFOM-UHFFFAOYSA-N -1 3 337.387 2.736 20 30 EFEDHM C=C1CCC(C(=O)Nc2n[nH]c3cc(-c4nn[n-]n4)c(C)cc32)CC1 ZINC001602774991 1096368642 /nfs/dbraw/zinc/36/86/42/1096368642.db2.gz DQTGXGGSBHJFOM-UHFFFAOYSA-N -1 3 337.387 2.736 20 30 EFEDHM C=C[C@@H](C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001602780973 1096369125 /nfs/dbraw/zinc/36/91/25/1096369125.db2.gz VBNLBEFRHVIPSB-AEFFLSMTSA-N -1 3 345.406 2.940 20 30 EFEDHM C=C[C@@H](C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001602780973 1096369132 /nfs/dbraw/zinc/36/91/32/1096369132.db2.gz VBNLBEFRHVIPSB-AEFFLSMTSA-N -1 3 345.406 2.940 20 30 EFEDHM C=CC(C)(C)CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001602787087 1096370350 /nfs/dbraw/zinc/37/03/50/1096370350.db2.gz YYJDUMWHLXOFAC-UHFFFAOYSA-N -1 3 331.424 2.757 20 30 EFEDHM C=CC(C)(C)CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001602787087 1096370357 /nfs/dbraw/zinc/37/03/57/1096370357.db2.gz YYJDUMWHLXOFAC-UHFFFAOYSA-N -1 3 331.424 2.757 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001602786632 1096370598 /nfs/dbraw/zinc/37/05/98/1096370598.db2.gz AYTHSQZYIFENLS-UHFFFAOYSA-N -1 3 334.449 2.720 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602795593 1096372047 /nfs/dbraw/zinc/37/20/47/1096372047.db2.gz UEULHBHUKBGBOK-SJKOYZFVSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602795593 1096372055 /nfs/dbraw/zinc/37/20/55/1096372055.db2.gz UEULHBHUKBGBOK-SJKOYZFVSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602795592 1096372621 /nfs/dbraw/zinc/37/26/21/1096372621.db2.gz UEULHBHUKBGBOK-SJCJKPOMSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602795592 1096372627 /nfs/dbraw/zinc/37/26/27/1096372627.db2.gz UEULHBHUKBGBOK-SJCJKPOMSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001602803312 1096372997 /nfs/dbraw/zinc/37/29/97/1096372997.db2.gz LAVPCOSQOSAAFU-BXUZGUMPSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001602803312 1096373005 /nfs/dbraw/zinc/37/30/05/1096373005.db2.gz LAVPCOSQOSAAFU-BXUZGUMPSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602803781 1096373945 /nfs/dbraw/zinc/37/39/45/1096373945.db2.gz OWYMSWQSXKKZBB-GOEBONIOSA-N -1 3 338.415 2.604 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602803781 1096373955 /nfs/dbraw/zinc/37/39/55/1096373955.db2.gz OWYMSWQSXKKZBB-GOEBONIOSA-N -1 3 338.415 2.604 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602816786 1096374963 /nfs/dbraw/zinc/37/49/63/1096374963.db2.gz VGIRPCHCZZJSNJ-SFHVURJKSA-N -1 3 347.422 2.713 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602816786 1096374970 /nfs/dbraw/zinc/37/49/70/1096374970.db2.gz VGIRPCHCZZJSNJ-SFHVURJKSA-N -1 3 347.422 2.713 20 30 EFEDHM C=CCC1(C(=O)N(C)c2cc(-c3nnn[n-]3)ccn2)CCCCC1 ZINC001602815672 1096375715 /nfs/dbraw/zinc/37/57/15/1096375715.db2.gz ABUJJBYHQIZRPN-UHFFFAOYSA-N -1 3 326.404 2.751 20 30 EFEDHM C=CCC1(C(=O)N(C)c2cc(-c3nn[n-]n3)ccn2)CCCCC1 ZINC001602815672 1096375720 /nfs/dbraw/zinc/37/57/20/1096375720.db2.gz ABUJJBYHQIZRPN-UHFFFAOYSA-N -1 3 326.404 2.751 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2N)CCCC1 ZINC001602818229 1096375956 /nfs/dbraw/zinc/37/59/56/1096375956.db2.gz IIZOGFGMRZCOJT-UHFFFAOYSA-N -1 3 330.367 2.663 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2N)CCCC1 ZINC001602818229 1096375965 /nfs/dbraw/zinc/37/59/65/1096375965.db2.gz IIZOGFGMRZCOJT-UHFFFAOYSA-N -1 3 330.367 2.663 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2 ZINC001602816029 1096376009 /nfs/dbraw/zinc/37/60/09/1096376009.db2.gz GXABTZCWQUWBIC-SECBINFHSA-N -1 3 348.357 2.536 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2 ZINC001602816029 1096376016 /nfs/dbraw/zinc/37/60/16/1096376016.db2.gz GXABTZCWQUWBIC-SECBINFHSA-N -1 3 348.357 2.536 20 30 EFEDHM C=CCC1(C(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001602818329 1096376310 /nfs/dbraw/zinc/37/63/10/1096376310.db2.gz MWEXHFJGWBJDEA-UHFFFAOYSA-N -1 3 342.399 2.925 20 30 EFEDHM C=CCC1(C(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001602818329 1096376320 /nfs/dbraw/zinc/37/63/20/1096376320.db2.gz MWEXHFJGWBJDEA-UHFFFAOYSA-N -1 3 342.399 2.925 20 30 EFEDHM C=CCC1(C(=O)OCc2ccncc2-c2nnn[n-]2)CCCCC1 ZINC001602818319 1096376543 /nfs/dbraw/zinc/37/65/43/1096376543.db2.gz LZUKZULMCYGXON-UHFFFAOYSA-N -1 3 327.388 2.832 20 30 EFEDHM C=CCC1(C(=O)OCc2ccncc2-c2nn[n-]n2)CCCCC1 ZINC001602818319 1096376549 /nfs/dbraw/zinc/37/65/49/1096376549.db2.gz LZUKZULMCYGXON-UHFFFAOYSA-N -1 3 327.388 2.832 20 30 EFEDHM C=CCC[C@@H](C(=O)NCc1cncc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602827290 1096377637 /nfs/dbraw/zinc/37/76/37/1096377637.db2.gz SZRPJYRVFIIRTI-QGZVFWFLSA-N -1 3 348.410 2.628 20 30 EFEDHM C=CCC[C@@H](C(=O)NCc1cncc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602827290 1096377646 /nfs/dbraw/zinc/37/76/46/1096377646.db2.gz SZRPJYRVFIIRTI-QGZVFWFLSA-N -1 3 348.410 2.628 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602823442 1096377664 /nfs/dbraw/zinc/37/76/64/1096377664.db2.gz KTTKJEVJANVLNJ-GDBMZVCRSA-N -1 3 325.416 2.660 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602823442 1096377673 /nfs/dbraw/zinc/37/76/73/1096377673.db2.gz KTTKJEVJANVLNJ-GDBMZVCRSA-N -1 3 325.416 2.660 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602825274 1096377692 /nfs/dbraw/zinc/37/76/92/1096377692.db2.gz WUDSQHUVURCJNA-TZMCWYRMSA-N -1 3 341.419 2.827 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602825274 1096377704 /nfs/dbraw/zinc/37/77/04/1096377704.db2.gz WUDSQHUVURCJNA-TZMCWYRMSA-N -1 3 341.419 2.827 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001602824446 1096377760 /nfs/dbraw/zinc/37/77/60/1096377760.db2.gz QHWHTLWHAKMSOC-GFCCVEGCSA-N -1 3 342.403 2.695 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001602824446 1096377768 /nfs/dbraw/zinc/37/77/68/1096377768.db2.gz QHWHTLWHAKMSOC-GFCCVEGCSA-N -1 3 342.403 2.695 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602823448 1096378173 /nfs/dbraw/zinc/37/81/73/1096378173.db2.gz KTTKJEVJANVLNJ-ZBFHGGJFSA-N -1 3 325.416 2.660 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602823448 1096378180 /nfs/dbraw/zinc/37/81/80/1096378180.db2.gz KTTKJEVJANVLNJ-ZBFHGGJFSA-N -1 3 325.416 2.660 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001602834170 1096379360 /nfs/dbraw/zinc/37/93/60/1096379360.db2.gz JAZYXMBSOGHISP-VBNZEHGJSA-N -1 3 325.416 2.831 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001602834170 1096379368 /nfs/dbraw/zinc/37/93/68/1096379368.db2.gz JAZYXMBSOGHISP-VBNZEHGJSA-N -1 3 325.416 2.831 20 30 EFEDHM C=CCCCCCCCNC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001602833879 1096379449 /nfs/dbraw/zinc/37/94/49/1096379449.db2.gz BVKIJCIONHMOKJ-UHFFFAOYSA-N -1 3 328.420 2.827 20 30 EFEDHM C=CCCCCCCCNC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001602833879 1096379451 /nfs/dbraw/zinc/37/94/51/1096379451.db2.gz BVKIJCIONHMOKJ-UHFFFAOYSA-N -1 3 328.420 2.827 20 30 EFEDHM C=CCCN(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602839573 1096382140 /nfs/dbraw/zinc/38/21/40/1096382140.db2.gz BYXRCOQGCMIYHW-UHFFFAOYSA-N -1 3 325.416 2.713 20 30 EFEDHM C=CCCN(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602839573 1096382148 /nfs/dbraw/zinc/38/21/48/1096382148.db2.gz BYXRCOQGCMIYHW-UHFFFAOYSA-N -1 3 325.416 2.713 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C#N)(CC)CC ZINC001602853595 1096385725 /nfs/dbraw/zinc/38/57/25/1096385725.db2.gz FJIGMXFXKACBOB-UHFFFAOYSA-N -1 3 338.415 2.711 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C#N)(CC)CC ZINC001602853595 1096385731 /nfs/dbraw/zinc/38/57/31/1096385731.db2.gz FJIGMXFXKACBOB-UHFFFAOYSA-N -1 3 338.415 2.711 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001602854039 1096386507 /nfs/dbraw/zinc/38/65/07/1096386507.db2.gz RKBCFSSNTZIEPX-YQQAZPJKSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001602854039 1096386510 /nfs/dbraw/zinc/38/65/10/1096386510.db2.gz RKBCFSSNTZIEPX-YQQAZPJKSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](CCCC)C(=O)OC ZINC001602858285 1096388024 /nfs/dbraw/zinc/38/80/24/1096388024.db2.gz NCSQBQJNLOLZAJ-INIZCTEOSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](CCCC)C(=O)OC ZINC001602858285 1096388029 /nfs/dbraw/zinc/38/80/29/1096388029.db2.gz NCSQBQJNLOLZAJ-INIZCTEOSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC001602876557 1096392466 /nfs/dbraw/zinc/39/24/66/1096392466.db2.gz ZFTNFOFFWFNDTC-UHFFFAOYSA-N -1 3 336.351 2.823 20 30 EFEDHM C=CCc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC001602876557 1096392472 /nfs/dbraw/zinc/39/24/72/1096392472.db2.gz ZFTNFOFFWFNDTC-UHFFFAOYSA-N -1 3 336.351 2.823 20 30 EFEDHM CC#CCNC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001602897609 1096393298 /nfs/dbraw/zinc/39/32/98/1096393298.db2.gz NEXQXVCFWBOWKH-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM CC#CCNC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001602897609 1096393308 /nfs/dbraw/zinc/39/33/08/1096393308.db2.gz NEXQXVCFWBOWKH-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM CC#CCCCC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001602894283 1096393492 /nfs/dbraw/zinc/39/34/92/1096393492.db2.gz UKQUQIIHYDVDOY-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM CC#CCCCC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001602894283 1096393497 /nfs/dbraw/zinc/39/34/97/1096393497.db2.gz UKQUQIIHYDVDOY-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM CC(=NN[C@@H](C)COc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001602906237 1096396839 /nfs/dbraw/zinc/39/68/39/1096396839.db2.gz IJAYKIQCVCQNRZ-NSHDSACASA-N -1 3 342.428 2.709 20 30 EFEDHM CC(N=Nc1ncnc2ccsc21)c1ccccc1-c1nnn[n-]1 ZINC001602908251 1096397065 /nfs/dbraw/zinc/39/70/65/1096397065.db2.gz QHZHYTQWSMEUMX-UHFFFAOYSA-N -1 3 336.384 2.708 20 30 EFEDHM CC(N=Nc1ncnc2ccsc21)c1ccccc1-c1nn[n-]n1 ZINC001602908251 1096397070 /nfs/dbraw/zinc/39/70/70/1096397070.db2.gz QHZHYTQWSMEUMX-UHFFFAOYSA-N -1 3 336.384 2.708 20 30 EFEDHM CC(=NN[C@H](C)COc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC001602906235 1096398033 /nfs/dbraw/zinc/39/80/33/1096398033.db2.gz IJAYKIQCVCQNRZ-LLVKDONJSA-N -1 3 342.428 2.709 20 30 EFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602962350 1096408510 /nfs/dbraw/zinc/40/85/10/1096408510.db2.gz QHHVBALJTBXTDF-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602962350 1096408516 /nfs/dbraw/zinc/40/85/16/1096408516.db2.gz QHHVBALJTBXTDF-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(C)(CC#N)CNc1cccc(Br)c1-c1nnn[n-]1 ZINC001603135516 1096457027 /nfs/dbraw/zinc/45/70/27/1096457027.db2.gz QDYZWKBRFUUQPO-UHFFFAOYSA-N -1 3 335.209 2.981 20 30 EFEDHM CC(C)(CC#N)CNc1cccc(Br)c1-c1nn[n-]n1 ZINC001603135516 1096457031 /nfs/dbraw/zinc/45/70/31/1096457031.db2.gz QDYZWKBRFUUQPO-UHFFFAOYSA-N -1 3 335.209 2.981 20 30 EFEDHM CC(C)C[C@@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603263569 1096489016 /nfs/dbraw/zinc/48/90/16/1096489016.db2.gz QFBTVHFXFICGRB-IUODEOHRSA-N -1 3 327.388 2.527 20 30 EFEDHM CC(C)C[C@@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603263569 1096489022 /nfs/dbraw/zinc/48/90/22/1096489022.db2.gz QFBTVHFXFICGRB-IUODEOHRSA-N -1 3 327.388 2.527 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C#N)C(C)(C)C ZINC001603576642 1096557157 /nfs/dbraw/zinc/55/71/57/1096557157.db2.gz LKZZTRJYFZXTHT-RISCZKNCSA-N -1 3 327.388 2.527 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C#N)C(C)(C)C ZINC001603576642 1096557165 /nfs/dbraw/zinc/55/71/65/1096557165.db2.gz LKZZTRJYFZXTHT-RISCZKNCSA-N -1 3 327.388 2.527 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001603578146 1096557793 /nfs/dbraw/zinc/55/77/93/1096557793.db2.gz KUDHPEQTIUKNRE-CYBMUJFWSA-N -1 3 346.394 2.580 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001603578146 1096557801 /nfs/dbraw/zinc/55/78/01/1096557801.db2.gz KUDHPEQTIUKNRE-CYBMUJFWSA-N -1 3 346.394 2.580 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC#CC(C)(C)C ZINC001603576721 1096558096 /nfs/dbraw/zinc/55/80/96/1096558096.db2.gz AQCZWCQAXBJMQG-CYBMUJFWSA-N -1 3 326.400 2.638 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#CC(C)(C)C ZINC001603576721 1096558100 /nfs/dbraw/zinc/55/81/00/1096558100.db2.gz AQCZWCQAXBJMQG-CYBMUJFWSA-N -1 3 326.400 2.638 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C1(C#N)CCCCC1 ZINC001603728837 1096605055 /nfs/dbraw/zinc/60/50/55/1096605055.db2.gz INWJBHQPGKESPJ-ZDUSSCGKSA-N -1 3 338.415 2.860 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C1(C#N)CCCCC1 ZINC001603728837 1096605062 /nfs/dbraw/zinc/60/50/62/1096605062.db2.gz INWJBHQPGKESPJ-ZDUSSCGKSA-N -1 3 338.415 2.860 20 30 EFEDHM CC1(C)CC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CO1 ZINC001603757844 1096615442 /nfs/dbraw/zinc/61/54/42/1096615442.db2.gz HFYRRBXSFNLNHN-UHFFFAOYSA-N -1 3 340.309 2.852 20 30 EFEDHM CC1(C)CC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CO1 ZINC001603757844 1096615444 /nfs/dbraw/zinc/61/54/44/1096615444.db2.gz HFYRRBXSFNLNHN-UHFFFAOYSA-N -1 3 340.309 2.852 20 30 EFEDHM CC1(C)OCCC1N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001603794847 1096628490 /nfs/dbraw/zinc/62/84/90/1096628490.db2.gz PMZYWDNREADNPK-UHFFFAOYSA-N -1 3 340.309 2.852 20 30 EFEDHM CC1(C)OCCC1N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001603794847 1096628497 /nfs/dbraw/zinc/62/84/97/1096628497.db2.gz PMZYWDNREADNPK-UHFFFAOYSA-N -1 3 340.309 2.852 20 30 EFEDHM C[C@@H]1CCc2nc(C=NNc3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC001603914917 1096669829 /nfs/dbraw/zinc/66/98/29/1096669829.db2.gz RIRHYWBMZRIHNI-SNVBAGLBSA-N -1 3 339.428 2.894 20 30 EFEDHM C[C@@H]1CCc2nc(C=NNc3cccc(-c4nn[n-]n4)c3)sc2C1 ZINC001603914917 1096669832 /nfs/dbraw/zinc/66/98/32/1096669832.db2.gz RIRHYWBMZRIHNI-SNVBAGLBSA-N -1 3 339.428 2.894 20 30 EFEDHM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001604016611 1096699592 /nfs/dbraw/zinc/69/95/92/1096699592.db2.gz URJWZMKCKIYQCR-QMMMGPOBSA-N -1 3 338.293 2.655 20 30 EFEDHM CC[C@@H](CC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001604016611 1096699603 /nfs/dbraw/zinc/69/96/03/1096699603.db2.gz URJWZMKCKIYQCR-QMMMGPOBSA-N -1 3 338.293 2.655 20 30 EFEDHM CCCCCCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1C ZINC001604176331 1096762274 /nfs/dbraw/zinc/76/22/74/1096762274.db2.gz NLYJHZLBFMYIEE-UHFFFAOYSA-N -1 3 338.433 2.854 20 30 EFEDHM CCCCCCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1C ZINC001604176331 1096762278 /nfs/dbraw/zinc/76/22/78/1096762278.db2.gz NLYJHZLBFMYIEE-UHFFFAOYSA-N -1 3 338.433 2.854 20 30 EFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC001604359349 1096828748 /nfs/dbraw/zinc/82/87/48/1096828748.db2.gz ZNCDUMGOUCVLGO-UHFFFAOYSA-N -1 3 347.382 2.617 20 30 EFEDHM CCOc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1OC ZINC001604462886 1096866646 /nfs/dbraw/zinc/86/66/46/1096866646.db2.gz GUROUYDPGCBNAK-UHFFFAOYSA-N -1 3 336.355 2.889 20 30 EFEDHM CCOc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1OC ZINC001604462886 1096866654 /nfs/dbraw/zinc/86/66/54/1096866654.db2.gz GUROUYDPGCBNAK-UHFFFAOYSA-N -1 3 336.355 2.889 20 30 EFEDHM CCOc1ccc(NN=Cc2ccc(-c3nnn[n-]3)c(OC)c2)cc1 ZINC001604462557 1096867225 /nfs/dbraw/zinc/86/72/25/1096867225.db2.gz FIDJLYSUQOKEMR-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM CCOc1ccc(NN=Cc2ccc(-c3nn[n-]n3)c(OC)c2)cc1 ZINC001604462557 1096867234 /nfs/dbraw/zinc/86/72/34/1096867234.db2.gz FIDJLYSUQOKEMR-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001604639011 1096920412 /nfs/dbraw/zinc/92/04/12/1096920412.db2.gz SIQJVODNZASQJT-OAHLLOKOSA-N -1 3 346.394 2.917 20 30 EFEDHM CN(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001604639011 1096920417 /nfs/dbraw/zinc/92/04/17/1096920417.db2.gz SIQJVODNZASQJT-OAHLLOKOSA-N -1 3 346.394 2.917 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC001604643106 1096921203 /nfs/dbraw/zinc/92/12/03/1096921203.db2.gz LQEOUWWPSXYUCN-TVQRCGJNSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC001604643106 1096921210 /nfs/dbraw/zinc/92/12/10/1096921210.db2.gz LQEOUWWPSXYUCN-TVQRCGJNSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001604649860 1096923360 /nfs/dbraw/zinc/92/33/60/1096923360.db2.gz ZQXZDSFVUDDBLC-DLBZAZTESA-N -1 3 344.378 2.505 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001604649860 1096923364 /nfs/dbraw/zinc/92/33/64/1096923364.db2.gz ZQXZDSFVUDDBLC-DLBZAZTESA-N -1 3 344.378 2.505 20 30 EFEDHM CN(CCc1cccc(-c2nnn[n-]2)c1)c1nc(Cl)c(C#N)s1 ZINC001604792262 1096956303 /nfs/dbraw/zinc/95/63/03/1096956303.db2.gz YXPRJGAIUGKOCZ-UHFFFAOYSA-N -1 3 345.819 2.527 20 30 EFEDHM CN(CCc1cccc(-c2nn[n-]n2)c1)c1nc(Cl)c(C#N)s1 ZINC001604792262 1096956304 /nfs/dbraw/zinc/95/63/04/1096956304.db2.gz YXPRJGAIUGKOCZ-UHFFFAOYSA-N -1 3 345.819 2.527 20 30 EFEDHM CN(c1c(C#N)cccc1-c1nnn[n-]1)[C@H]1CCc2ccccc2C1 ZINC001604828750 1096967085 /nfs/dbraw/zinc/96/70/85/1096967085.db2.gz VRFZTEVEDCFBBQ-INIZCTEOSA-N -1 3 330.395 2.732 20 30 EFEDHM CN(c1c(C#N)cccc1-c1nn[n-]n1)[C@H]1CCc2ccccc2C1 ZINC001604828750 1096967091 /nfs/dbraw/zinc/96/70/91/1096967091.db2.gz VRFZTEVEDCFBBQ-INIZCTEOSA-N -1 3 330.395 2.732 20 30 EFEDHM CC[C@](C)(C(=O)[O-])N(Cc1c(C#N)cccc1[N+](=O)[O-])CC1CC1 ZINC001604889457 1096976676 /nfs/dbraw/zinc/97/66/76/1096976676.db2.gz NIHQKXABQCTFOD-QGZVFWFLSA-N -1 3 331.372 2.932 20 30 EFEDHM COc1cc(C(=O)O[C@H](C#N)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC001605201261 1097049649 /nfs/dbraw/zinc/04/96/49/1097049649.db2.gz VLNOLOLLXLYEBA-OAHLLOKOSA-N -1 3 341.371 2.505 20 30 EFEDHM COc1cc(C(=O)O[C@H](C#N)C2CCCCC2)ccc1-c1nn[n-]n1 ZINC001605201261 1097049653 /nfs/dbraw/zinc/04/96/53/1097049653.db2.gz VLNOLOLLXLYEBA-OAHLLOKOSA-N -1 3 341.371 2.505 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc3c(c2)COC3)ccc1-c1nnn[n-]1 ZINC001605205630 1097051565 /nfs/dbraw/zinc/05/15/65/1097051565.db2.gz LPKJAFATSALFOZ-XVNBXDOJSA-N -1 3 348.362 2.802 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc3c(c2)COC3)ccc1-c1nn[n-]n1 ZINC001605205630 1097051569 /nfs/dbraw/zinc/05/15/69/1097051569.db2.gz LPKJAFATSALFOZ-XVNBXDOJSA-N -1 3 348.362 2.802 20 30 EFEDHM COc1cc(OCc2ccc(C#N)cc2Cl)ccc1-c1nnn[n-]1 ZINC001605236673 1097063987 /nfs/dbraw/zinc/06/39/87/1097063987.db2.gz LQRWFMQFVZCCFM-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(OCc2ccc(C#N)cc2Cl)ccc1-c1nn[n-]n1 ZINC001605236673 1097063992 /nfs/dbraw/zinc/06/39/92/1097063992.db2.gz LQRWFMQFVZCCFM-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(Oc2ncc(-c3nnn[n-]3)cc2Cl)ccc1C#N ZINC001605239184 1097065478 /nfs/dbraw/zinc/06/54/78/1097065478.db2.gz WUXYMJGTBKFSDY-UHFFFAOYSA-N -1 3 328.719 2.588 20 30 EFEDHM COc1cc(Oc2ncc(-c3nn[n-]n3)cc2Cl)ccc1C#N ZINC001605239184 1097065481 /nfs/dbraw/zinc/06/54/81/1097065481.db2.gz WUXYMJGTBKFSDY-UHFFFAOYSA-N -1 3 328.719 2.588 20 30 EFEDHM COc1ccc(C#N)cc1NC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001605255294 1097069891 /nfs/dbraw/zinc/06/98/91/1097069891.db2.gz JIGCDZYBAXVKGT-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(C#N)cc1NC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001605255294 1097069896 /nfs/dbraw/zinc/06/98/96/1097069896.db2.gz JIGCDZYBAXVKGT-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1OC ZINC001605319716 1097095325 /nfs/dbraw/zinc/09/53/25/1097095325.db2.gz RGEYNESMDAGJBP-ZROIWOOFSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1OC ZINC001605319716 1097095332 /nfs/dbraw/zinc/09/53/32/1097095332.db2.gz RGEYNESMDAGJBP-ZROIWOOFSA-N -1 3 348.362 2.706 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001605513427 1097142818 /nfs/dbraw/zinc/14/28/18/1097142818.db2.gz LUXKWXCBXDRYRT-JSGCOSHPSA-N -1 3 325.372 2.723 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001605513427 1097142820 /nfs/dbraw/zinc/14/28/20/1097142820.db2.gz LUXKWXCBXDRYRT-JSGCOSHPSA-N -1 3 325.372 2.723 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001605588904 1097163848 /nfs/dbraw/zinc/16/38/48/1097163848.db2.gz MTKYBSNNUQLTCE-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001605588904 1097163852 /nfs/dbraw/zinc/16/38/52/1097163852.db2.gz MTKYBSNNUQLTCE-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(C)c2c(c1)C(N=Nc1ccc(-c3nnn[n-]3)cn1)CCCO2 ZINC001605643464 1097178361 /nfs/dbraw/zinc/17/83/61/1097178361.db2.gz KAABMHYGXHNLJO-UHFFFAOYSA-N -1 3 349.398 2.867 20 30 EFEDHM Cc1cc(C)c2c(c1)C(N=Nc1ccc(-c3nn[n-]n3)cn1)CCCO2 ZINC001605643464 1097178364 /nfs/dbraw/zinc/17/83/64/1097178364.db2.gz KAABMHYGXHNLJO-UHFFFAOYSA-N -1 3 349.398 2.867 20 30 EFEDHM Cc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1C#N ZINC001605652175 1097180257 /nfs/dbraw/zinc/18/02/57/1097180257.db2.gz FORGXFJSPXJMDV-FRKPEAEDSA-N -1 3 327.347 2.869 20 30 EFEDHM Cc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1C#N ZINC001605652175 1097180259 /nfs/dbraw/zinc/18/02/59/1097180259.db2.gz FORGXFJSPXJMDV-FRKPEAEDSA-N -1 3 327.347 2.869 20 30 EFEDHM Cc1cc(COC(=O)[C@]2(C#N)CC23CCCC3)ccc1-c1nnn[n-]1 ZINC001605663065 1097183202 /nfs/dbraw/zinc/18/32/02/1097183202.db2.gz KKDMKGUJQZUSGE-GOSISDBHSA-N -1 3 337.383 2.692 20 30 EFEDHM Cc1cc(COC(=O)[C@]2(C#N)CC23CCCC3)ccc1-c1nn[n-]n1 ZINC001605663065 1097183208 /nfs/dbraw/zinc/18/32/08/1097183208.db2.gz KKDMKGUJQZUSGE-GOSISDBHSA-N -1 3 337.383 2.692 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC001605676694 1097191847 /nfs/dbraw/zinc/19/18/47/1097191847.db2.gz YMJUEFKDUBXREK-QGZVFWFLSA-N -1 3 340.362 2.727 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC001605676694 1097191848 /nfs/dbraw/zinc/19/18/48/1097191848.db2.gz YMJUEFKDUBXREK-QGZVFWFLSA-N -1 3 340.362 2.727 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC001605678280 1097191887 /nfs/dbraw/zinc/19/18/87/1097191887.db2.gz UJZJLBCLDAKOJI-UHFFFAOYSA-N -1 3 336.330 2.633 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC001605678280 1097191889 /nfs/dbraw/zinc/19/18/89/1097191889.db2.gz UJZJLBCLDAKOJI-UHFFFAOYSA-N -1 3 336.330 2.633 20 30 EFEDHM Cc1cc(N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ncc1-c1nnn[n-]1 ZINC001605693602 1097197669 /nfs/dbraw/zinc/19/76/69/1097197669.db2.gz AFVDVFXIRUGOLI-NVXWUHKLSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ncc1-c1nn[n-]n1 ZINC001605693602 1097197673 /nfs/dbraw/zinc/19/76/73/1097197673.db2.gz AFVDVFXIRUGOLI-NVXWUHKLSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(OC(=O)[C@@]2(C#N)CC3CCC2CC3)ccc1-c1nnn[n-]1 ZINC001605745451 1097214469 /nfs/dbraw/zinc/21/44/69/1097214469.db2.gz ZUJFLBNAIYFKPM-PWGQDJSOSA-N -1 3 337.383 2.801 20 30 EFEDHM Cc1cc(OC(=O)[C@@]2(C#N)CC3CCC2CC3)ccc1-c1nn[n-]n1 ZINC001605745451 1097214472 /nfs/dbraw/zinc/21/44/72/1097214472.db2.gz ZUJFLBNAIYFKPM-PWGQDJSOSA-N -1 3 337.383 2.801 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001605755677 1097216807 /nfs/dbraw/zinc/21/68/07/1097216807.db2.gz PHZGKXMOWXJHRA-CLFYSBASSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1cc([N+](=O)[O-])ccc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001605755677 1097216813 /nfs/dbraw/zinc/21/68/13/1097216813.db2.gz PHZGKXMOWXJHRA-CLFYSBASSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1-c1nnn[n-]1 ZINC001605808164 1097233698 /nfs/dbraw/zinc/23/36/98/1097233698.db2.gz OUPUDNKOVRBZPC-UHFFFAOYSA-N -1 3 326.404 2.577 20 30 EFEDHM Cc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1-c1nn[n-]n1 ZINC001605808164 1097233703 /nfs/dbraw/zinc/23/37/03/1097233703.db2.gz OUPUDNKOVRBZPC-UHFFFAOYSA-N -1 3 326.404 2.577 20 30 EFEDHM Cc1ccc(CNc2cc(C#N)sc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605855846 1097254116 /nfs/dbraw/zinc/25/41/16/1097254116.db2.gz BORGKOLRSQEFAP-UHFFFAOYSA-N -1 3 341.356 2.629 20 30 EFEDHM Cc1ccc(CNc2cc(C#N)sc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605855846 1097254123 /nfs/dbraw/zinc/25/41/23/1097254123.db2.gz BORGKOLRSQEFAP-UHFFFAOYSA-N -1 3 341.356 2.629 20 30 EFEDHM Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001605938516 1097281479 /nfs/dbraw/zinc/28/14/79/1097281479.db2.gz RUSFLEKWSUZTHZ-ZDUSSCGKSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1ccccc1C[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001605938516 1097281482 /nfs/dbraw/zinc/28/14/82/1097281482.db2.gz RUSFLEKWSUZTHZ-ZDUSSCGKSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCc1ccc2ccccc2c1 ZINC001606023645 1097301735 /nfs/dbraw/zinc/30/17/35/1097301735.db2.gz AUULGWJWMILTEY-UHFFFAOYSA-N -1 3 329.367 2.639 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCc1ccc2ccccc2c1 ZINC001606023645 1097301739 /nfs/dbraw/zinc/30/17/39/1097301739.db2.gz AUULGWJWMILTEY-UHFFFAOYSA-N -1 3 329.367 2.639 20 30 EFEDHM CN(C)Cc1cccc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001606036669 1097304043 /nfs/dbraw/zinc/30/40/43/1097304043.db2.gz SROOHUNDRNILTF-QGZVFWFLSA-N -1 3 338.363 2.603 20 30 EFEDHM Cc1nc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1C#N ZINC001606050345 1097306889 /nfs/dbraw/zinc/30/68/89/1097306889.db2.gz NSMPGISLCUCOFR-UHFFFAOYSA-N -1 3 343.394 2.736 20 30 EFEDHM Cc1nc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1C#N ZINC001606050345 1097306895 /nfs/dbraw/zinc/30/68/95/1097306895.db2.gz NSMPGISLCUCOFR-UHFFFAOYSA-N -1 3 343.394 2.736 20 30 EFEDHM Cc1nc2ccc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cc2s1 ZINC001606083096 1097315459 /nfs/dbraw/zinc/31/54/59/1097315459.db2.gz MDIVJBKQBCIVLL-UHFFFAOYSA-N -1 3 349.423 2.909 20 30 EFEDHM Cc1nc2ccc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cc2s1 ZINC001606083096 1097315463 /nfs/dbraw/zinc/31/54/63/1097315463.db2.gz MDIVJBKQBCIVLL-UHFFFAOYSA-N -1 3 349.423 2.909 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001606172120 1097336618 /nfs/dbraw/zinc/33/66/18/1097336618.db2.gz MWDCWXYINUTERB-UHFFFAOYSA-N -1 3 328.719 2.546 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001606172120 1097336623 /nfs/dbraw/zinc/33/66/23/1097336623.db2.gz MWDCWXYINUTERB-UHFFFAOYSA-N -1 3 328.719 2.546 20 30 EFEDHM C=CCC1(C(=O)N[C@@H](C)CCNC(=O)c2ccccc2[O-])CCC1 ZINC001075670797 1097371721 /nfs/dbraw/zinc/37/17/21/1097371721.db2.gz MCEWJMSJVSTLKT-AWEZNQCLSA-N -1 3 330.428 2.763 20 30 EFEDHM N#CC[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001606345247 1097389295 /nfs/dbraw/zinc/38/92/95/1097389295.db2.gz GUIADUQNNUZGJP-ZDUSSCGKSA-N -1 3 337.314 2.609 20 30 EFEDHM N#CC[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001606345247 1097389299 /nfs/dbraw/zinc/38/92/99/1097389299.db2.gz GUIADUQNNUZGJP-ZDUSSCGKSA-N -1 3 337.314 2.609 20 30 EFEDHM N#CC1(CCCOc2cc(Cl)cc(-c3nnn[n-]3)c2)CCOCC1 ZINC001606343362 1097389399 /nfs/dbraw/zinc/38/93/99/1097389399.db2.gz MSIKUAVABHANAH-UHFFFAOYSA-N -1 3 347.806 2.999 20 30 EFEDHM N#CC1(CCCOc2cc(Cl)cc(-c3nn[n-]n3)c2)CCOCC1 ZINC001606343362 1097389404 /nfs/dbraw/zinc/38/94/04/1097389404.db2.gz MSIKUAVABHANAH-UHFFFAOYSA-N -1 3 347.806 2.999 20 30 EFEDHM N#C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC001606345909 1097389496 /nfs/dbraw/zinc/38/94/96/1097389496.db2.gz RSUUSZLMVUZLJW-SNVBAGLBSA-N -1 3 339.790 2.808 20 30 EFEDHM N#C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC001606345909 1097389501 /nfs/dbraw/zinc/38/95/01/1097389501.db2.gz RSUUSZLMVUZLJW-SNVBAGLBSA-N -1 3 339.790 2.808 20 30 EFEDHM N#CC[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001606345978 1097389588 /nfs/dbraw/zinc/38/95/88/1097389588.db2.gz UGODNIKTGUFAEP-HNNXBMFYSA-N -1 3 333.351 2.860 20 30 EFEDHM N#CC[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001606345978 1097389594 /nfs/dbraw/zinc/38/95/94/1097389594.db2.gz UGODNIKTGUFAEP-HNNXBMFYSA-N -1 3 333.351 2.860 20 30 EFEDHM N#CC1(c2ccc(C(=O)Nc3cc(F)cc(-c4nnn[n-]4)c3)cc2)CC1 ZINC001606344087 1097389626 /nfs/dbraw/zinc/38/96/26/1097389626.db2.gz FCPUIRCJZPQSDS-UHFFFAOYSA-N -1 3 348.341 2.813 20 30 EFEDHM N#CC1(c2ccc(C(=O)Nc3cc(F)cc(-c4nn[n-]n4)c3)cc2)CC1 ZINC001606344087 1097389632 /nfs/dbraw/zinc/38/96/32/1097389632.db2.gz FCPUIRCJZPQSDS-UHFFFAOYSA-N -1 3 348.341 2.813 20 30 EFEDHM N#CC1(c2cccc(-c3ccc(O)c(-c4nnn[n-]4)c3)c2)CCOCC1 ZINC001606344432 1097389800 /nfs/dbraw/zinc/38/98/00/1097389800.db2.gz MBLUDYJUYFECDG-UHFFFAOYSA-N -1 3 347.378 2.811 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001606350473 1097390703 /nfs/dbraw/zinc/39/07/03/1097390703.db2.gz XTCBXYSMQCZHIW-WTKPLQERSA-N -1 3 331.335 2.665 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001606350473 1097390708 /nfs/dbraw/zinc/39/07/08/1097390708.db2.gz XTCBXYSMQCZHIW-WTKPLQERSA-N -1 3 331.335 2.665 20 30 EFEDHM N#CCN(C(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001606349838 1097391698 /nfs/dbraw/zinc/39/16/98/1097391698.db2.gz JFNJSOSYQUPKBN-UHFFFAOYSA-N -1 3 344.787 2.752 20 30 EFEDHM N#CCN(C(=O)c1sccc1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001606349838 1097391704 /nfs/dbraw/zinc/39/17/04/1097391704.db2.gz JFNJSOSYQUPKBN-UHFFFAOYSA-N -1 3 344.787 2.752 20 30 EFEDHM N#Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC001606361303 1097392195 /nfs/dbraw/zinc/39/21/95/1097392195.db2.gz DCPMJFQXBJFZEE-UHFFFAOYSA-N -1 3 325.715 2.611 20 30 EFEDHM N#Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001606361303 1097392200 /nfs/dbraw/zinc/39/22/00/1097392200.db2.gz DCPMJFQXBJFZEE-UHFFFAOYSA-N -1 3 325.715 2.611 20 30 EFEDHM N#Cc1c2c(sc1NC(=O)c1csc(-c3nnn[n-]3)c1)CCC2 ZINC001606358393 1097392593 /nfs/dbraw/zinc/39/25/93/1097392593.db2.gz PLDMUOOOENDUFB-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC001606367733 1097393934 /nfs/dbraw/zinc/39/39/34/1097393934.db2.gz LTNRAZCRIDAIHF-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC001606367733 1097393939 /nfs/dbraw/zinc/39/39/39/1097393939.db2.gz LTNRAZCRIDAIHF-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc2ccccc2cc1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001606363493 1097394355 /nfs/dbraw/zinc/39/43/55/1097394355.db2.gz HNQWCXUUYHGKOK-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc2ccccc2cc1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001606363493 1097394358 /nfs/dbraw/zinc/39/43/58/1097394358.db2.gz HNQWCXUUYHGKOK-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1([C@@H]2CCCCO2)CCC1 ZINC001606379744 1097395120 /nfs/dbraw/zinc/39/51/20/1097395120.db2.gz LGBSPWQTZJFPAU-HNNXBMFYSA-N -1 3 338.415 2.890 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1([C@@H]2CCCCO2)CCC1 ZINC001606379744 1097395126 /nfs/dbraw/zinc/39/51/26/1097395126.db2.gz LGBSPWQTZJFPAU-HNNXBMFYSA-N -1 3 338.415 2.890 20 30 EFEDHM N#Cc1ccc(OCCNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC001606379128 1097395376 /nfs/dbraw/zinc/39/53/76/1097395376.db2.gz CALDULNAMOCGQQ-UHFFFAOYSA-N -1 3 340.774 2.883 20 30 EFEDHM N#Cc1ccc(OCCNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC001606379128 1097395381 /nfs/dbraw/zinc/39/53/81/1097395381.db2.gz CALDULNAMOCGQQ-UHFFFAOYSA-N -1 3 340.774 2.883 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1([C@H]2CCCCO2)CCC1 ZINC001606379745 1097395824 /nfs/dbraw/zinc/39/58/24/1097395824.db2.gz LGBSPWQTZJFPAU-OAHLLOKOSA-N -1 3 338.415 2.890 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1([C@H]2CCCCO2)CCC1 ZINC001606379745 1097395825 /nfs/dbraw/zinc/39/58/25/1097395825.db2.gz LGBSPWQTZJFPAU-OAHLLOKOSA-N -1 3 338.415 2.890 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1nccc2c1CCCC2 ZINC001606379710 1097395896 /nfs/dbraw/zinc/39/58/96/1097395896.db2.gz JNVIMAGJSFNFQY-UHFFFAOYSA-N -1 3 331.383 2.624 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1nccc2c1CCCC2 ZINC001606379710 1097395899 /nfs/dbraw/zinc/39/58/99/1097395899.db2.gz JNVIMAGJSFNFQY-UHFFFAOYSA-N -1 3 331.383 2.624 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCOCc1ccccc1 ZINC001606380357 1097396862 /nfs/dbraw/zinc/39/68/62/1097396862.db2.gz VHHFGUXPSAHTLN-UHFFFAOYSA-N -1 3 334.383 2.757 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCOCc1ccccc1 ZINC001606380357 1097396866 /nfs/dbraw/zinc/39/68/66/1097396866.db2.gz VHHFGUXPSAHTLN-UHFFFAOYSA-N -1 3 334.383 2.757 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H](c2ccccn2)C1 ZINC001606381278 1097397006 /nfs/dbraw/zinc/39/70/06/1097397006.db2.gz LHMNQRPQDQETQY-AWEZNQCLSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H](c2ccccn2)C1 ZINC001606381278 1097397009 /nfs/dbraw/zinc/39/70/09/1097397009.db2.gz LHMNQRPQDQETQY-AWEZNQCLSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(Oc2cc(Br)ccc2-c2nnn[n-]2)n1 ZINC001606381889 1097397067 /nfs/dbraw/zinc/39/70/67/1097397067.db2.gz NZWZWHXCQVOZRG-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1cccc(Oc2cc(Br)ccc2-c2nn[n-]n2)n1 ZINC001606381889 1097397072 /nfs/dbraw/zinc/39/70/72/1097397072.db2.gz NZWZWHXCQVOZRG-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1csc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC001606389919 1097397787 /nfs/dbraw/zinc/39/77/87/1097397787.db2.gz VGXZUZPVEHCNCS-UHFFFAOYSA-N -1 3 345.771 2.810 20 30 EFEDHM N#Cc1csc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC001606389919 1097397792 /nfs/dbraw/zinc/39/77/92/1097397792.db2.gz VGXZUZPVEHCNCS-UHFFFAOYSA-N -1 3 345.771 2.810 20 30 EFEDHM N#Cc1cccc2c1CCCN2Cc1cccc(-c2nnn[n-]2)c1F ZINC001606385105 1097397852 /nfs/dbraw/zinc/39/78/52/1097397852.db2.gz PKPSAWRVPFGLMS-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1cccc2c1CCCN2Cc1cccc(-c2nn[n-]n2)c1F ZINC001606385105 1097397856 /nfs/dbraw/zinc/39/78/56/1097397856.db2.gz PKPSAWRVPFGLMS-UHFFFAOYSA-N -1 3 334.358 2.830 20 30 EFEDHM N#Cc1ccnc(C(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)c1 ZINC001606389162 1097397873 /nfs/dbraw/zinc/39/78/73/1097397873.db2.gz NFSYYBWPGVGTTE-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccnc(C(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)c1 ZINC001606389162 1097397877 /nfs/dbraw/zinc/39/78/77/1097397877.db2.gz NFSYYBWPGVGTTE-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001606483189 1097405316 /nfs/dbraw/zinc/40/53/16/1097405316.db2.gz YFEYKJOBTCMWOF-BQYQJAHWSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001606483189 1097405320 /nfs/dbraw/zinc/40/53/20/1097405320.db2.gz YFEYKJOBTCMWOF-BQYQJAHWSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1c(F)ccc(O)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC001606482193 1097405469 /nfs/dbraw/zinc/40/54/69/1097405469.db2.gz KENQZPPVXNAMSQ-IWQZZHSRSA-N -1 3 334.307 2.808 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482589 1097405533 /nfs/dbraw/zinc/40/55/33/1097405533.db2.gz PVLWJXDCXCUFSL-DJWKRKHSSA-N -1 3 339.336 2.671 20 30 EFEDHM O=C(c1sccc1-c1nnn[n-]1)N(O)CCCCc1ccccc1 ZINC001607036067 1097500325 /nfs/dbraw/zinc/50/03/25/1097500325.db2.gz XACFWEQEJNJYQG-UHFFFAOYSA-N -1 3 343.412 2.783 20 30 EFEDHM COc1ccc([C@@H](NCc2c(C)cc(C#N)cc2C)C(=O)[O-])cc1O ZINC001607233245 1097567255 /nfs/dbraw/zinc/56/72/55/1097567255.db2.gz RPDMOOIHDVJSLA-GOSISDBHSA-N -1 3 340.379 2.805 20 30 EFEDHM Cc1cc(CN2CCC(c3ccc(C#N)cn3)CC2)oc1C(=O)[O-] ZINC001607640320 1097686530 /nfs/dbraw/zinc/68/65/30/1097686530.db2.gz ZLZKECZNTWQKLV-UHFFFAOYSA-N -1 3 325.368 2.933 20 30 EFEDHM N#Cc1cccc(NC(=O)CCN2CCc3cc(C(=O)[O-])ccc3C2)c1 ZINC001608216927 1097867483 /nfs/dbraw/zinc/86/74/83/1097867483.db2.gz AJJATTCZBGOBHE-UHFFFAOYSA-N -1 3 349.390 2.643 20 30 EFEDHM N#Cc1nc(C(=O)[O-])ccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC001608223632 1097869589 /nfs/dbraw/zinc/86/95/89/1097869589.db2.gz BBGQFKVLTSPBJQ-HNNXBMFYSA-N -1 3 342.424 2.962 20 30 EFEDHM O=C([O-])C1([C@]2(O)CCCN(CC#Cc3ccc(Cl)cc3)C2)CCC1 ZINC001608568921 1097958359 /nfs/dbraw/zinc/95/83/59/1097958359.db2.gz GFNAPTLQEWFYPL-IBGZPJMESA-N -1 3 347.842 2.773 20 30 EFEDHM C#CCC(C)(C)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001609019797 1098113241 /nfs/dbraw/zinc/11/32/41/1098113241.db2.gz HEHPQTVAOZBIHT-UHFFFAOYSA-N -1 3 348.204 2.617 20 30 EFEDHM C#CCC(C)(C)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001609019797 1098113243 /nfs/dbraw/zinc/11/32/43/1098113243.db2.gz HEHPQTVAOZBIHT-UHFFFAOYSA-N -1 3 348.204 2.617 20 30 EFEDHM C=C(Br)CNc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001609050921 1098121439 /nfs/dbraw/zinc/12/14/39/1098121439.db2.gz HWSXFZQUAVHURH-UHFFFAOYSA-N -1 3 329.589 2.544 20 30 EFEDHM C=C(Br)CNc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001609050921 1098121443 /nfs/dbraw/zinc/12/14/43/1098121443.db2.gz HWSXFZQUAVHURH-UHFFFAOYSA-N -1 3 329.589 2.544 20 30 EFEDHM C=CCC1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)CCC1 ZINC001609053050 1098122931 /nfs/dbraw/zinc/12/29/31/1098122931.db2.gz ACVXMOFMJMQXIZ-UHFFFAOYSA-N -1 3 328.372 2.665 20 30 EFEDHM C=CCC1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)CCC1 ZINC001609053050 1098122934 /nfs/dbraw/zinc/12/29/34/1098122934.db2.gz ACVXMOFMJMQXIZ-UHFFFAOYSA-N -1 3 328.372 2.665 20 30 EFEDHM C=CCC1(c2nnc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCC1 ZINC001609053522 1098122992 /nfs/dbraw/zinc/12/29/92/1098122992.db2.gz LRVWECHARGXIHR-UHFFFAOYSA-N -1 3 338.371 2.827 20 30 EFEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001609055141 1098123300 /nfs/dbraw/zinc/12/33/00/1098123300.db2.gz RYJPYFDASLYPCM-GFCCVEGCSA-N -1 3 345.403 2.574 20 30 EFEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001609055141 1098123304 /nfs/dbraw/zinc/12/33/04/1098123304.db2.gz RYJPYFDASLYPCM-GFCCVEGCSA-N -1 3 345.403 2.574 20 30 EFEDHM C=CC[C@H](CC)NC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609054061 1098123408 /nfs/dbraw/zinc/12/34/08/1098123408.db2.gz XYYZBQFJRJGRAT-NSHDSACASA-N -1 3 334.811 2.674 20 30 EFEDHM C=CC[C@H](CC)NC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609054061 1098123414 /nfs/dbraw/zinc/12/34/14/1098123414.db2.gz XYYZBQFJRJGRAT-NSHDSACASA-N -1 3 334.811 2.674 20 30 EFEDHM C=CCCCCCOC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609053994 1098123520 /nfs/dbraw/zinc/12/35/20/1098123520.db2.gz VJIYGPISDHPOCL-ZDUSSCGKSA-N -1 3 330.388 2.924 20 30 EFEDHM C=CCn1c(C)nnc1SCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609059499 1098125830 /nfs/dbraw/zinc/12/58/30/1098125830.db2.gz QWPFQAFTFBAIGX-UHFFFAOYSA-N -1 3 327.417 2.553 20 30 EFEDHM C=CCn1c(C)nnc1SCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609059499 1098125838 /nfs/dbraw/zinc/12/58/38/1098125838.db2.gz QWPFQAFTFBAIGX-UHFFFAOYSA-N -1 3 327.417 2.553 20 30 EFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1-c1nnn[n-]1 ZINC001609061090 1098126023 /nfs/dbraw/zinc/12/60/23/1098126023.db2.gz DBQJIGKXTCZRSQ-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1-c1nn[n-]n1 ZINC001609061090 1098126028 /nfs/dbraw/zinc/12/60/28/1098126028.db2.gz DBQJIGKXTCZRSQ-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM CC#CCCNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001609060101 1098126278 /nfs/dbraw/zinc/12/62/78/1098126278.db2.gz YQMRFRFZATZQGQ-UHFFFAOYSA-N -1 3 335.415 2.618 20 30 EFEDHM CC#CCCNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001609060101 1098126284 /nfs/dbraw/zinc/12/62/84/1098126284.db2.gz YQMRFRFZATZQGQ-UHFFFAOYSA-N -1 3 335.415 2.618 20 30 EFEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001609058693 1098126640 /nfs/dbraw/zinc/12/66/40/1098126640.db2.gz OPRBWPBZDZMDIT-LLVKDONJSA-N -1 3 339.321 2.667 20 30 EFEDHM C[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001609067334 1098129348 /nfs/dbraw/zinc/12/93/48/1098129348.db2.gz IAPGAJYNAFNVAS-LLVKDONJSA-N -1 3 334.339 2.757 20 30 EFEDHM C[C@H](C#N)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001609067334 1098129351 /nfs/dbraw/zinc/12/93/51/1098129351.db2.gz IAPGAJYNAFNVAS-LLVKDONJSA-N -1 3 334.339 2.757 20 30 EFEDHM CC(C)Cn1nccc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001609097557 1098143185 /nfs/dbraw/zinc/14/31/85/1098143185.db2.gz ZILPWJXYHRROCR-ZSOIEALJSA-N -1 3 334.383 2.542 20 30 EFEDHM CC(C)Cn1nccc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001609097557 1098143188 /nfs/dbraw/zinc/14/31/88/1098143188.db2.gz ZILPWJXYHRROCR-ZSOIEALJSA-N -1 3 334.383 2.542 20 30 EFEDHM CC(C)CN(Cc1nc(C#N)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609095694 1098143516 /nfs/dbraw/zinc/14/35/16/1098143516.db2.gz JCUCQTUNRBMRIJ-UHFFFAOYSA-N -1 3 339.428 2.857 20 30 EFEDHM C[C@H](NC(=O)NCC(C)(C)CCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001609120502 1098154835 /nfs/dbraw/zinc/15/48/35/1098154835.db2.gz JRMABDXUMGIFDL-LBPRGKRZSA-N -1 3 341.419 2.557 20 30 EFEDHM C[C@H](NC(=O)NCC(C)(C)CCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001609120502 1098154841 /nfs/dbraw/zinc/15/48/41/1098154841.db2.gz JRMABDXUMGIFDL-LBPRGKRZSA-N -1 3 341.419 2.557 20 30 EFEDHM C[C@@H](NN=Cc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001609125602 1098157909 /nfs/dbraw/zinc/15/79/09/1098157909.db2.gz HHQGMYUDTSXIQJ-SNVBAGLBSA-N -1 3 328.326 2.830 20 30 EFEDHM C[C@@H](NN=Cc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001609125602 1098157913 /nfs/dbraw/zinc/15/79/13/1098157913.db2.gz HHQGMYUDTSXIQJ-SNVBAGLBSA-N -1 3 328.326 2.830 20 30 EFEDHM C[C@@H]1C[C@H](c2cccnc2)N(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001609159623 1098174073 /nfs/dbraw/zinc/17/40/73/1098174073.db2.gz QNQOROIWYJOYMQ-MLGOLLRUSA-N -1 3 331.383 2.721 20 30 EFEDHM C[C@@H]1C[C@H](c2cccnc2)N(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001609159623 1098174077 /nfs/dbraw/zinc/17/40/77/1098174077.db2.gz QNQOROIWYJOYMQ-MLGOLLRUSA-N -1 3 331.383 2.721 20 30 EFEDHM C[C@@H]1CCCC[C@H]1OCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609165230 1098179352 /nfs/dbraw/zinc/17/93/52/1098179352.db2.gz HKLFSKUATSXFPN-IUODEOHRSA-N -1 3 326.404 2.746 20 30 EFEDHM C[C@@H]1CCCC[C@H]1OCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609165230 1098179356 /nfs/dbraw/zinc/17/93/56/1098179356.db2.gz HKLFSKUATSXFPN-IUODEOHRSA-N -1 3 326.404 2.746 20 30 EFEDHM CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609182684 1098186084 /nfs/dbraw/zinc/18/60/84/1098186084.db2.gz LYBURAKDEFWBLM-UHFFFAOYSA-N -1 3 330.367 2.550 20 30 EFEDHM CCC(C)(C)N(CCC#N)C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609182684 1098186087 /nfs/dbraw/zinc/18/60/87/1098186087.db2.gz LYBURAKDEFWBLM-UHFFFAOYSA-N -1 3 330.367 2.550 20 30 EFEDHM CCN(C(=O)CC(C)(C)C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609219193 1098209866 /nfs/dbraw/zinc/20/98/66/1098209866.db2.gz XTIFLQZRSQFRDR-GFCCVEGCSA-N -1 3 326.404 2.716 20 30 EFEDHM CCN(C(=O)CC(C)(C)C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609219193 1098209870 /nfs/dbraw/zinc/20/98/70/1098209870.db2.gz XTIFLQZRSQFRDR-GFCCVEGCSA-N -1 3 326.404 2.716 20 30 EFEDHM CCN(CC)c1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001609223749 1098211910 /nfs/dbraw/zinc/21/19/10/1098211910.db2.gz JXXGLRAAFPUQBK-UHFFFAOYSA-N -1 3 348.414 2.592 20 30 EFEDHM CCN(CC)c1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001609223749 1098211918 /nfs/dbraw/zinc/21/19/18/1098211918.db2.gz JXXGLRAAFPUQBK-UHFFFAOYSA-N -1 3 348.414 2.592 20 30 EFEDHM COCC(N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C1CC1 ZINC001609315273 1098246904 /nfs/dbraw/zinc/24/69/04/1098246904.db2.gz GGLUFPPHZVVNDP-UHFFFAOYSA-N -1 3 340.309 2.710 20 30 EFEDHM COCC(N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C1CC1 ZINC001609315273 1098246907 /nfs/dbraw/zinc/24/69/07/1098246907.db2.gz GGLUFPPHZVVNDP-UHFFFAOYSA-N -1 3 340.309 2.710 20 30 EFEDHM COCC[C@@H]1CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001609322555 1098247953 /nfs/dbraw/zinc/24/79/53/1098247953.db2.gz XSUQAJUMCBXNRG-VIFPVBQESA-N -1 3 335.799 2.520 20 30 EFEDHM COCC[C@@H]1CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001609322555 1098247958 /nfs/dbraw/zinc/24/79/58/1098247958.db2.gz XSUQAJUMCBXNRG-VIFPVBQESA-N -1 3 335.799 2.520 20 30 EFEDHM COc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)c(OC)c1)C2=O ZINC001609340212 1098254856 /nfs/dbraw/zinc/25/48/56/1098254856.db2.gz AJRFVLPROUEGOG-WQLSENKSSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)c(OC)c1)C2=O ZINC001609340212 1098254861 /nfs/dbraw/zinc/25/48/61/1098254861.db2.gz AJRFVLPROUEGOG-WQLSENKSSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc(C=C2Oc3ccc(F)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001609340759 1098255283 /nfs/dbraw/zinc/25/52/83/1098255283.db2.gz WFWGBBDTRNAONF-VIZOYTHASA-N -1 3 338.298 2.631 20 30 EFEDHM COc1cc(C=C2Oc3ccc(F)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001609340759 1098255285 /nfs/dbraw/zinc/25/52/85/1098255285.db2.gz WFWGBBDTRNAONF-VIZOYTHASA-N -1 3 338.298 2.631 20 30 EFEDHM COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1F ZINC001609341322 1098255435 /nfs/dbraw/zinc/25/54/35/1098255435.db2.gz KIANPXWCVBQGHH-UHFFFAOYSA-N -1 3 347.741 2.509 20 30 EFEDHM COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1F ZINC001609341322 1098255442 /nfs/dbraw/zinc/25/54/42/1098255442.db2.gz KIANPXWCVBQGHH-UHFFFAOYSA-N -1 3 347.741 2.509 20 30 EFEDHM COc1cc(F)cc(NN=C(C)c2ccccc2-c2nnn[n-]2)c1 ZINC001609346168 1098257766 /nfs/dbraw/zinc/25/77/66/1098257766.db2.gz HXBNZEWEAZVQJO-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1cc(F)cc(NN=C(C)c2ccccc2-c2nn[n-]n2)c1 ZINC001609346168 1098257774 /nfs/dbraw/zinc/25/77/74/1098257774.db2.gz HXBNZEWEAZVQJO-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)c(C)c1)C2=O ZINC001609363125 1098267170 /nfs/dbraw/zinc/26/71/70/1098267170.db2.gz QLMMZDQVMXRPMY-UKTHLTGXSA-N -1 3 348.362 2.842 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)c(C)c1)C2=O ZINC001609363125 1098267174 /nfs/dbraw/zinc/26/71/74/1098267174.db2.gz QLMMZDQVMXRPMY-UKTHLTGXSA-N -1 3 348.362 2.842 20 30 EFEDHM COc1cccc(O)c1C=NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609362222 1098267899 /nfs/dbraw/zinc/26/78/99/1098267899.db2.gz ACMJTOZRAZYJBJ-NVMNQCDNSA-N -1 3 343.774 2.853 20 30 EFEDHM COc1cccc(O)c1C=NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609362222 1098267904 /nfs/dbraw/zinc/26/79/04/1098267904.db2.gz ACMJTOZRAZYJBJ-NVMNQCDNSA-N -1 3 343.774 2.853 20 30 EFEDHM Cc1cc(OC(=O)c2ccc(C#N)cc2)c(C)c(C)c1-c1nn[n-]n1 ZINC001609411001 1098298504 /nfs/dbraw/zinc/29/85/04/1098298504.db2.gz KLCHHUVOBINEOE-UHFFFAOYSA-N -1 3 333.351 2.883 20 30 EFEDHM Cc1cc(OC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)c(C)c1C#N ZINC001609411132 1098299171 /nfs/dbraw/zinc/29/91/71/1098299171.db2.gz QIINZJZPIAFHDI-UHFFFAOYSA-N -1 3 333.351 2.883 20 30 EFEDHM Cc1cc(OC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)c(C)c1C#N ZINC001609411132 1098299172 /nfs/dbraw/zinc/29/91/72/1098299172.db2.gz QIINZJZPIAFHDI-UHFFFAOYSA-N -1 3 333.351 2.883 20 30 EFEDHM Cc1cc(N=NC2CCCCc3cc(-c4nnn[n-]4)ccc32)nc(C)n1 ZINC001609410704 1098299388 /nfs/dbraw/zinc/29/93/88/1098299388.db2.gz UHSQSJHMJSGFKH-UHFFFAOYSA-N -1 3 348.414 2.816 20 30 EFEDHM Cc1cc(N=NC2CCCCc3cc(-c4nn[n-]n4)ccc32)nc(C)n1 ZINC001609410704 1098299391 /nfs/dbraw/zinc/29/93/91/1098299391.db2.gz UHSQSJHMJSGFKH-UHFFFAOYSA-N -1 3 348.414 2.816 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)cn2c1 ZINC001609429466 1098315209 /nfs/dbraw/zinc/31/52/09/1098315209.db2.gz KTVXUWFHDQGQTE-SREVYHEPSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)cn2c1 ZINC001609429466 1098315213 /nfs/dbraw/zinc/31/52/13/1098315213.db2.gz KTVXUWFHDQGQTE-SREVYHEPSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)cn2c1 ZINC001609429467 1098316482 /nfs/dbraw/zinc/31/64/82/1098316482.db2.gz KTVXUWFHDQGQTE-VOTSOKGWSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)cn2c1 ZINC001609429467 1098316491 /nfs/dbraw/zinc/31/64/91/1098316491.db2.gz KTVXUWFHDQGQTE-VOTSOKGWSA-N -1 3 330.351 2.719 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCC23CCOCC3)n1 ZINC001609471885 1098342819 /nfs/dbraw/zinc/34/28/19/1098342819.db2.gz BDATWEPXQWWYNK-UHFFFAOYSA-N -1 3 347.810 2.664 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCC23CCOCC3)n1 ZINC001609471885 1098342830 /nfs/dbraw/zinc/34/28/30/1098342830.db2.gz BDATWEPXQWWYNK-UHFFFAOYSA-N -1 3 347.810 2.664 20 30 EFEDHM Cn1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c2cc(F)ccc21 ZINC001609478623 1098349795 /nfs/dbraw/zinc/34/97/95/1098349795.db2.gz LDMBQOUVWLGCLU-UHFFFAOYSA-N -1 3 349.373 2.621 20 30 EFEDHM Cn1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c2cc(F)ccc21 ZINC001609478623 1098349802 /nfs/dbraw/zinc/34/98/02/1098349802.db2.gz LDMBQOUVWLGCLU-UHFFFAOYSA-N -1 3 349.373 2.621 20 30 EFEDHM FC(F)(F)CON=Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001609483976 1098350339 /nfs/dbraw/zinc/35/03/39/1098350339.db2.gz IYUNFXJZZJCRTA-UHFFFAOYSA-N -1 3 339.199 2.798 20 30 EFEDHM FC(F)(F)CON=Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001609483976 1098350344 /nfs/dbraw/zinc/35/03/44/1098350344.db2.gz IYUNFXJZZJCRTA-UHFFFAOYSA-N -1 3 339.199 2.798 20 30 EFEDHM N#CC1(CSc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC001609493752 1098359537 /nfs/dbraw/zinc/35/95/37/1098359537.db2.gz PEQDNRXDWLBPNW-UHFFFAOYSA-N -1 3 326.307 2.676 20 30 EFEDHM N#CC1(CSc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC001609493752 1098359544 /nfs/dbraw/zinc/35/95/44/1098359544.db2.gz PEQDNRXDWLBPNW-UHFFFAOYSA-N -1 3 326.307 2.676 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2cccs2)no1 ZINC001609494230 1098360014 /nfs/dbraw/zinc/36/00/14/1098360014.db2.gz ZKKIUDHYBICOJV-LBPRGKRZSA-N -1 3 349.379 2.828 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2cccs2)no1 ZINC001609494230 1098360021 /nfs/dbraw/zinc/36/00/21/1098360021.db2.gz ZKKIUDHYBICOJV-LBPRGKRZSA-N -1 3 349.379 2.828 20 30 EFEDHM N#C[C@@H]1CCC[C@H](OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001609494857 1098360907 /nfs/dbraw/zinc/36/09/07/1098360907.db2.gz NVJUCHFDSVRRGI-DOMZBBRYSA-N -1 3 337.383 2.524 20 30 EFEDHM N#C[C@@H]1CCC[C@H](OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001609494857 1098360912 /nfs/dbraw/zinc/36/09/12/1098360912.db2.gz NVJUCHFDSVRRGI-DOMZBBRYSA-N -1 3 337.383 2.524 20 30 EFEDHM N#CC1(c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(F)c3)cc2)CC1 ZINC001609494995 1098360957 /nfs/dbraw/zinc/36/09/57/1098360957.db2.gz RZFSTFPDAAZVLF-UHFFFAOYSA-N -1 3 348.341 2.813 20 30 EFEDHM N#CC1(c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(F)c3)cc2)CC1 ZINC001609494995 1098360963 /nfs/dbraw/zinc/36/09/63/1098360963.db2.gz RZFSTFPDAAZVLF-UHFFFAOYSA-N -1 3 348.341 2.813 20 30 EFEDHM N#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609496444 1098361689 /nfs/dbraw/zinc/36/16/89/1098361689.db2.gz MOLXDRNDMSDBDF-GXFFZTMASA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609496444 1098361696 /nfs/dbraw/zinc/36/16/96/1098361696.db2.gz MOLXDRNDMSDBDF-GXFFZTMASA-N -1 3 331.763 2.759 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001609498645 1098362487 /nfs/dbraw/zinc/36/24/87/1098362487.db2.gz UFZLCYKZJCWNDC-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001609498645 1098362493 /nfs/dbraw/zinc/36/24/93/1098362493.db2.gz UFZLCYKZJCWNDC-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1Cl ZINC001609498860 1098362623 /nfs/dbraw/zinc/36/26/23/1098362623.db2.gz SQROFOUGDKKNSC-UHFFFAOYSA-N -1 3 349.741 2.516 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1Cl ZINC001609498860 1098362631 /nfs/dbraw/zinc/36/26/31/1098362631.db2.gz SQROFOUGDKKNSC-UHFFFAOYSA-N -1 3 349.741 2.516 20 30 EFEDHM N#Cc1nc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)ccc1Cl ZINC001609500894 1098363598 /nfs/dbraw/zinc/36/35/98/1098363598.db2.gz IELWLNXGXFVYHM-CYBMUJFWSA-N -1 3 337.774 2.886 20 30 EFEDHM N#Cc1nc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)ccc1Cl ZINC001609500894 1098363605 /nfs/dbraw/zinc/36/36/05/1098363605.db2.gz IELWLNXGXFVYHM-CYBMUJFWSA-N -1 3 337.774 2.886 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1c[nH]c2ccccc12 ZINC001609499795 1098363952 /nfs/dbraw/zinc/36/39/52/1098363952.db2.gz KEQJWRYFHYLAOD-UHFFFAOYSA-N -1 3 329.367 2.874 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1c[nH]c2ccccc12 ZINC001609499795 1098363958 /nfs/dbraw/zinc/36/39/58/1098363958.db2.gz KEQJWRYFHYLAOD-UHFFFAOYSA-N -1 3 329.367 2.874 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001609517827 1098364953 /nfs/dbraw/zinc/36/49/53/1098364953.db2.gz QGOZJTWURUIZDU-DAXSKMNVSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC001609517827 1098364957 /nfs/dbraw/zinc/36/49/57/1098364957.db2.gz QGOZJTWURUIZDU-DAXSKMNVSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccc(Cl)nc1 ZINC001609517490 1098365175 /nfs/dbraw/zinc/36/51/75/1098365175.db2.gz AAOUVOGCHJKTNT-XQRVVYSFSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccc(Cl)nc1 ZINC001609517490 1098365183 /nfs/dbraw/zinc/36/51/83/1098365183.db2.gz AAOUVOGCHJKTNT-XQRVVYSFSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cn2ccccc2n1 ZINC001609517943 1098365366 /nfs/dbraw/zinc/36/53/66/1098365366.db2.gz WLKDIMXKPBTRRI-SREVYHEPSA-N -1 3 334.314 2.550 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cn2ccccc2n1 ZINC001609517943 1098365374 /nfs/dbraw/zinc/36/53/74/1098365374.db2.gz WLKDIMXKPBTRRI-SREVYHEPSA-N -1 3 334.314 2.550 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609517781 1098365776 /nfs/dbraw/zinc/36/57/76/1098365776.db2.gz NPMROYNSIKPMSR-LREOWRDNSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609517781 1098365781 /nfs/dbraw/zinc/36/57/81/1098365781.db2.gz NPMROYNSIKPMSR-LREOWRDNSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609517782 1098366163 /nfs/dbraw/zinc/36/61/63/1098366163.db2.gz NPMROYNSIKPMSR-XFSBKJJWSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609517782 1098366170 /nfs/dbraw/zinc/36/61/70/1098366170.db2.gz NPMROYNSIKPMSR-XFSBKJJWSA-N -1 3 334.335 2.534 20 30 EFEDHM Cc1ccc(-c2nc([N-]C(=O)c3ncc(C#N)cc3Cl)n[nH]2)cc1 ZINC001609509309 1098366636 /nfs/dbraw/zinc/36/66/36/1098366636.db2.gz BCRQTHJQFXADMU-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM O=[N+]([O-])c1cccc(N=NCCCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609602744 1098396127 /nfs/dbraw/zinc/39/61/27/1098396127.db2.gz GNPIRXCYZSNMSN-UHFFFAOYSA-N -1 3 337.343 2.805 20 30 EFEDHM O=[N+]([O-])c1cccc(N=NCCCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609602744 1098396133 /nfs/dbraw/zinc/39/61/33/1098396133.db2.gz GNPIRXCYZSNMSN-UHFFFAOYSA-N -1 3 337.343 2.805 20 30 EFEDHM c1cc2c(cc1-c1nnn[n-]1)CCCCC2=NNC[C@@H]1CCSC1 ZINC001609615266 1098402678 /nfs/dbraw/zinc/40/26/78/1098402678.db2.gz OARLRWPZSMZPOT-LBPRGKRZSA-N -1 3 342.472 2.640 20 30 EFEDHM c1cc2c(cc1-c1nn[n-]n1)CCCCC2=NNC[C@@H]1CCSC1 ZINC001609615266 1098402680 /nfs/dbraw/zinc/40/26/80/1098402680.db2.gz OARLRWPZSMZPOT-LBPRGKRZSA-N -1 3 342.472 2.640 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC001609777751 1098454048 /nfs/dbraw/zinc/45/40/48/1098454048.db2.gz WZYQQPPOIUQTIU-SCLBCKFNSA-N -1 3 347.378 2.615 20 30 EFEDHM C=CCN1CC[C@]2(CCCN(C(=O)c3ccc(C)cc3[O-])CC2)C1=O ZINC001269950818 1098541664 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Cc1ccc(C(=O)NCCC(=O)Nc2cc(C#N)ccc2C)c([O-])c1 ZINC000170829171 239133179 /nfs/dbraw/zinc/13/31/79/239133179.db2.gz QHFRUAPYOWMCTC-UHFFFAOYSA-N -1 3 337.379 2.639 20 30 EFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(O)cc1[O-] ZINC000175021297 239253174 /nfs/dbraw/zinc/25/31/74/239253174.db2.gz ROAMSTFTRUDPDC-UHFFFAOYSA-N -1 3 335.281 2.898 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[C@@H]1C ZINC000193944791 240132591 /nfs/dbraw/zinc/13/25/91/240132591.db2.gz GJGZKESPXWLZNW-WFASDCNBSA-N -1 3 329.444 2.739 20 30 EFEDHM C[C@H]([N-]C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000288519404 241016031 /nfs/dbraw/zinc/01/60/31/241016031.db2.gz WHQUPTKOAWRCIQ-YFKPBYRVSA-N -1 3 346.202 2.850 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)sc1Br ZINC000290926658 241023451 /nfs/dbraw/zinc/02/34/51/241023451.db2.gz JBVPTXMIWSCKAC-LLVKDONJSA-N -1 3 349.275 2.790 20 30 EFEDHM [O-]c1cccc(/C=N/c2ccc(CCN3CCOCC3)cc2)c1O ZINC000298782346 241159536 /nfs/dbraw/zinc/15/95/36/241159536.db2.gz OQYCLWDLEUTQAW-XSFVSMFZSA-N -1 3 326.396 2.723 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc3c(c2)CCCN3C)c1[O-] ZINC000299322880 241171538 /nfs/dbraw/zinc/17/15/38/241171538.db2.gz LPLDBGUWICGXRB-RGVLZGJSSA-N -1 3 325.412 2.589 20 30 EFEDHM C[C@]1(c2cccc(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)c2)NC(=O)[N-]C1=O ZINC000328901118 241264485 /nfs/dbraw/zinc/26/44/85/241264485.db2.gz YRYCFIVLVVCZOS-HBUWYVDXSA-N -1 3 343.383 2.658 20 30 EFEDHM Cn1cc(C(=O)NCC2CCC(c3ccccc3)CC2)c(=O)[n-]c1=O ZINC000329399272 241363551 /nfs/dbraw/zinc/36/35/51/241363551.db2.gz VMEHMVALNQPFOL-UHFFFAOYSA-N -1 3 341.411 2.765 20 30 EFEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000351166948 241900457 /nfs/dbraw/zinc/90/04/57/241900457.db2.gz LGKDNQLDMXBUAX-LBPRGKRZSA-N -1 3 336.841 2.793 20 30 EFEDHM Cc1cc(C)n(Cc2cccc(C([O-])=C(C#N)c3ccncn3)c2)n1 ZINC000354460731 242002136 /nfs/dbraw/zinc/00/21/36/242002136.db2.gz FVTBLDRNUBDTSI-QGZVFWFLSA-N -1 3 331.379 2.828 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c(F)c1 ZINC000358788067 242131482 /nfs/dbraw/zinc/13/14/82/242131482.db2.gz VGTSLTDBGHJNEN-NHYWBVRUSA-N -1 3 326.393 2.585 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c(F)c1 ZINC000358788070 242132356 /nfs/dbraw/zinc/13/23/56/242132356.db2.gz VGTSLTDBGHJNEN-XHDPSFHLSA-N -1 3 326.393 2.585 20 30 EFEDHM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1cc(C(F)(F)F)ccn1 ZINC000362119228 242244300 /nfs/dbraw/zinc/24/43/00/242244300.db2.gz QSTHMMPRPOBOCU-LBPRGKRZSA-N -1 3 333.269 2.689 20 30 EFEDHM O=C(CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])Nc1nc2c(s1)CCC2 ZINC000330070091 304144718 /nfs/dbraw/zinc/14/47/18/304144718.db2.gz WTDOKBWXHTXCNL-UHTWSYAYSA-N -1 3 349.456 2.938 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C#N)C(C)C)c(F)cc1Br ZINC000414461979 244175743 /nfs/dbraw/zinc/17/57/43/244175743.db2.gz XSRMKFGLFFTJAX-NSHDSACASA-N -1 3 349.225 2.723 20 30 EFEDHM O=C(CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-])Nc1nc2c(s1)CCC2 ZINC000330070090 304149893 /nfs/dbraw/zinc/14/98/93/304149893.db2.gz WTDOKBWXHTXCNL-RTXFEEFZSA-N -1 3 349.456 2.938 20 30 EFEDHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000416504370 244710148 /nfs/dbraw/zinc/71/01/48/244710148.db2.gz UJTXVBMZVIPOBO-NSHDSACASA-N -1 3 342.848 2.695 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1F ZINC000019678871 212054582 /nfs/dbraw/zinc/05/45/82/212054582.db2.gz PORJTANNCJOERZ-UHFFFAOYSA-N -1 3 349.312 2.852 20 30 EFEDHM COc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)nn1 ZINC000078032083 217013946 /nfs/dbraw/zinc/01/39/46/217013946.db2.gz HEOLORSZQZWTHL-UHFFFAOYSA-N -1 3 328.397 2.940 20 30 EFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000081019334 217351606 /nfs/dbraw/zinc/35/16/06/217351606.db2.gz FQWDQMFVGKGLPQ-HNNXBMFYSA-N -1 3 335.407 2.783 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c1cccc2C#N ZINC000421651674 246051091 /nfs/dbraw/zinc/05/10/91/246051091.db2.gz MLZZFRTWGYAEGI-UHFFFAOYSA-N -1 3 346.390 2.669 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422052063 246242086 /nfs/dbraw/zinc/24/20/86/246242086.db2.gz ZLGUGTFEDYVGAK-ACJLOTCBSA-N -1 3 337.391 2.582 20 30 EFEDHM COc1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1F ZINC000427272411 247333499 /nfs/dbraw/zinc/33/34/99/247333499.db2.gz CEJFMTNOKYHPMT-UHFFFAOYSA-N -1 3 342.298 2.785 20 30 EFEDHM Cc1ccc2c(CC[N-]S(=O)(=O)c3ccc(C#N)s3)c[nH]c2c1 ZINC000435423584 248239013 /nfs/dbraw/zinc/23/90/13/248239013.db2.gz RALXPGSSHPXMEZ-UHFFFAOYSA-N -1 3 345.449 2.931 20 30 EFEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)s1)c1nccs1 ZINC000435428975 248239524 /nfs/dbraw/zinc/23/95/24/248239524.db2.gz UFCAEXNKGZSAQF-GFCCVEGCSA-N -1 3 327.456 2.680 20 30 EFEDHM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(C)C ZINC000435431311 248240391 /nfs/dbraw/zinc/24/03/91/248240391.db2.gz HZGHDMPCHJEEOU-AWEZNQCLSA-N -1 3 335.454 2.999 20 30 EFEDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)cs1 ZINC000435434255 248240666 /nfs/dbraw/zinc/24/06/66/248240666.db2.gz RLEMBEAZZGEMBN-UHFFFAOYSA-N -1 3 341.483 2.721 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)s1 ZINC000435435100 248240785 /nfs/dbraw/zinc/24/07/85/248240785.db2.gz WVSGSPSYEQRIPT-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)s1 ZINC000435436721 248241585 /nfs/dbraw/zinc/24/15/85/248241585.db2.gz HHSYHJQZUVVJGK-UHFFFAOYSA-N -1 3 335.435 2.708 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc3ncccc3c2)s1 ZINC000435442646 248241608 /nfs/dbraw/zinc/24/16/08/248241608.db2.gz LZIANMOUBGGXDG-UHFFFAOYSA-N -1 3 329.406 2.646 20 30 EFEDHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435438582 248242171 /nfs/dbraw/zinc/24/21/71/248242171.db2.gz QJLUGOVPSBJLMV-GFCCVEGCSA-N -1 3 336.438 2.674 20 30 EFEDHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(C#N)s2)n1 ZINC000435437273 248242228 /nfs/dbraw/zinc/24/22/28/248242228.db2.gz JXDHPLVYGUVHKA-UHFFFAOYSA-N -1 3 327.456 2.678 20 30 EFEDHM N#Cc1cccc(OC2CCN(C(=O)c3c([O-])cccc3O)CC2)c1 ZINC000092121158 218121675 /nfs/dbraw/zinc/12/16/75/218121675.db2.gz UJPVJTWVCCOGMW-UHFFFAOYSA-N -1 3 338.363 2.653 20 30 EFEDHM CCn1ncc2cc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c(C)nc21 ZINC000442122868 250065806 /nfs/dbraw/zinc/06/58/06/250065806.db2.gz JXUVQNFQFDXQPT-OAHLLOKOSA-N -1 3 334.383 2.657 20 30 EFEDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000442790876 250118962 /nfs/dbraw/zinc/11/89/62/250118962.db2.gz MLLCXXIJASTFPC-NEPJUHHUSA-N -1 3 337.401 2.714 20 30 EFEDHM CCc1nc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccccc1F ZINC000442643223 250094371 /nfs/dbraw/zinc/09/43/71/250094371.db2.gz GLCDWNJQOYUXLP-LBPRGKRZSA-N -1 3 335.342 2.854 20 30 EFEDHM CC[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)N1CCc2ccccc2C1 ZINC000442867008 250132579 /nfs/dbraw/zinc/13/25/79/250132579.db2.gz NAALCSZWADFLIW-LJQANCHMSA-N -1 3 349.434 2.831 20 30 EFEDHM CC(C)([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000443014923 250151993 /nfs/dbraw/zinc/15/19/93/250151993.db2.gz REQAHBRCYGCMBT-UHFFFAOYSA-N -1 3 345.380 2.680 20 30 EFEDHM CN(CCC[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000443109731 250162337 /nfs/dbraw/zinc/16/23/37/250162337.db2.gz ZMTCVBUPOKYSQU-UHFFFAOYSA-N -1 3 347.415 2.502 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000443112723 250162439 /nfs/dbraw/zinc/16/24/39/250162439.db2.gz WTTGZIGIXKNIPE-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000443107228 250162774 /nfs/dbraw/zinc/16/27/74/250162774.db2.gz GHSLVFQVWBSGHQ-CYBMUJFWSA-N -1 3 334.397 2.823 20 30 EFEDHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443354771 250188892 /nfs/dbraw/zinc/18/88/92/250188892.db2.gz VFUMGWDHGIRYTD-LLVKDONJSA-N -1 3 335.816 2.516 20 30 EFEDHM C=CCCOCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444195730 250270456 /nfs/dbraw/zinc/27/04/56/250270456.db2.gz ONVOBYYZFFKROM-UHFFFAOYSA-N -1 3 341.326 2.716 20 30 EFEDHM Cn1cnc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccc21 ZINC000095456242 218399448 /nfs/dbraw/zinc/39/94/48/218399448.db2.gz HIQWLWHQCUISCY-CYBMUJFWSA-N -1 3 329.363 2.950 20 30 EFEDHM CCN(Cc1ccncc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000267508380 251116936 /nfs/dbraw/zinc/11/69/36/251116936.db2.gz PKXIFZXZQMXEAL-UHFFFAOYSA-N -1 3 338.411 2.652 20 30 EFEDHM C=C(C)CCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000454302999 252207294 /nfs/dbraw/zinc/20/72/94/252207294.db2.gz MAZGFDCDUHVHIF-UHFFFAOYSA-N -1 3 341.433 2.545 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000268806037 252257860 /nfs/dbraw/zinc/25/78/60/252257860.db2.gz RVHJACFWZZIFKQ-LBPRGKRZSA-N -1 3 335.429 2.856 20 30 EFEDHM C=CCC[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(=O)OCC ZINC000456612275 255650841 /nfs/dbraw/zinc/65/08/41/255650841.db2.gz RVSWODXOPJSPOF-CQSZACIVSA-N -1 3 325.792 2.602 20 30 EFEDHM CC[C@@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000117157961 221034161 /nfs/dbraw/zinc/03/41/61/221034161.db2.gz BHMXJHWFYFJSPT-OAHLLOKOSA-N -1 3 329.444 2.835 20 30 EFEDHM C=C(C)CS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000357475636 533527591 /nfs/dbraw/zinc/52/75/91/533527591.db2.gz ADVQDGHTZHNSGR-NSHDSACASA-N -1 3 339.392 2.741 20 30 EFEDHM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000344408954 296491288 /nfs/dbraw/zinc/49/12/88/296491288.db2.gz MKDUEFCIWPTQNN-BXKDBHETSA-N -1 3 343.246 2.788 20 30 EFEDHM COc1cc([O-])cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c1 ZINC000345930827 142119795 /nfs/dbraw/zinc/11/97/95/142119795.db2.gz DCVHLBCWIXNDPS-UHFFFAOYSA-N -1 3 337.257 2.939 20 30 EFEDHM Cc1cscc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000347635311 142248172 /nfs/dbraw/zinc/24/81/72/142248172.db2.gz VETOEJQXCGPOIC-UHFFFAOYSA-N -1 3 329.425 2.895 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCc2sc(Cl)cc21 ZINC000349798472 142360624 /nfs/dbraw/zinc/36/06/24/142360624.db2.gz IGZMXWYYUYBBSY-SECBINFHSA-N -1 3 339.829 2.634 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(C#N)c1 ZINC000342718118 145178692 /nfs/dbraw/zinc/17/86/92/145178692.db2.gz QKZHWOGRLFWUPH-UHFFFAOYSA-N -1 3 338.342 2.858 20 30 EFEDHM 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/nfs/dbraw/zinc/48/68/87/471486887.db2.gz QFQDCYPFMMLHSJ-WZIKDTQPSA-N -1 3 347.846 2.963 20 30 EFEDHM Cc1cc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1F ZINC000010552057 471737771 /nfs/dbraw/zinc/73/77/71/471737771.db2.gz UIWVBTMCKFXFPG-UHFFFAOYSA-N -1 3 341.386 2.560 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CC#N)cc1 ZINC000015818132 471918966 /nfs/dbraw/zinc/91/89/66/471918966.db2.gz AYHFNBLZWOHLCB-UHFFFAOYSA-N -1 3 334.379 2.501 20 30 EFEDHM O=C(COCCOc1ccccc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053527635 472016190 /nfs/dbraw/zinc/01/61/90/472016190.db2.gz CRWZNBQRLUQIHE-UHFFFAOYSA-N -1 3 339.355 2.550 20 30 EFEDHM O=C(COCCOc1ccccc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053527635 472016194 /nfs/dbraw/zinc/01/61/94/472016194.db2.gz CRWZNBQRLUQIHE-UHFFFAOYSA-N -1 3 339.355 2.550 20 30 EFEDHM O=C(COCCOc1ccccc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053527635 472016200 /nfs/dbraw/zinc/01/62/00/472016200.db2.gz CRWZNBQRLUQIHE-UHFFFAOYSA-N -1 3 339.355 2.550 20 30 EFEDHM Cc1cnn(-c2ccc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)cc2)c1 ZINC000053528002 472016688 /nfs/dbraw/zinc/01/66/88/472016688.db2.gz HQEOUMPSCDXLEF-UHFFFAOYSA-N -1 3 345.366 2.997 20 30 EFEDHM Cc1cnn(-c2ccc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)cc2)c1 ZINC000053528002 472016691 /nfs/dbraw/zinc/01/66/91/472016691.db2.gz HQEOUMPSCDXLEF-UHFFFAOYSA-N -1 3 345.366 2.997 20 30 EFEDHM Cc1cnn(-c2ccc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc2)c1 ZINC000053528002 472016693 /nfs/dbraw/zinc/01/66/93/472016693.db2.gz HQEOUMPSCDXLEF-UHFFFAOYSA-N -1 3 345.366 2.997 20 30 EFEDHM Cc1nc(NC(=O)c2ccc3n[n-]nc3c2)sc1SCC#N ZINC000053649506 472027204 /nfs/dbraw/zinc/02/72/04/472027204.db2.gz KXDQAIFQBDCYGC-UHFFFAOYSA-N -1 3 330.398 2.591 20 30 EFEDHM CCOC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000041493766 472066791 /nfs/dbraw/zinc/06/67/91/472066791.db2.gz XLFRCBVPWJILLE-AWEZNQCLSA-N -1 3 339.307 2.657 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(NC(=O)C3CC3)c2)nc(C)n1 ZINC000041574465 472070674 /nfs/dbraw/zinc/07/06/74/472070674.db2.gz BYPMPKDUMDGJJO-MRXNPFEDSA-N -1 3 334.379 2.932 20 30 EFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000026254723 472128889 /nfs/dbraw/zinc/12/88/89/472128889.db2.gz KYLBSHBBCHTTIJ-SSDOTTSWSA-N -1 3 325.250 2.751 20 30 EFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000026254723 472128893 /nfs/dbraw/zinc/12/88/93/472128893.db2.gz KYLBSHBBCHTTIJ-SSDOTTSWSA-N -1 3 325.250 2.751 20 30 EFEDHM C=CCNC(=O)Cc1nc(=O)c2c(-c3ccc(C)cc3)csc2[n-]1 ZINC000055494851 472194223 /nfs/dbraw/zinc/19/42/23/472194223.db2.gz GZQSROHJQVXUDO-UHFFFAOYSA-N -1 3 339.420 2.805 20 30 EFEDHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000055676869 472222920 /nfs/dbraw/zinc/22/29/20/472222920.db2.gz OTXJGVCOGHZBOW-UHFFFAOYSA-N -1 3 349.799 2.971 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(Cl)nc1 ZINC000043778374 472261440 /nfs/dbraw/zinc/26/14/40/472261440.db2.gz GXQOHYURLNJJMI-UHFFFAOYSA-N -1 3 345.786 2.588 20 30 EFEDHM COc1ccc(C(C)=O)cc1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029388937 472272214 /nfs/dbraw/zinc/27/22/14/472272214.db2.gz ZWPJYCDPFYFTHU-UHFFFAOYSA-N -1 3 342.277 2.865 20 30 EFEDHM COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029388937 472272218 /nfs/dbraw/zinc/27/22/18/472272218.db2.gz ZWPJYCDPFYFTHU-UHFFFAOYSA-N -1 3 342.277 2.865 20 30 EFEDHM CC(=O)Nc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1C ZINC000076355609 472329234 /nfs/dbraw/zinc/32/92/34/472329234.db2.gz CNPXBNKYBKHMBM-UHFFFAOYSA-N -1 3 327.266 2.727 20 30 EFEDHM CC(=O)Nc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1C ZINC000076355609 472329239 /nfs/dbraw/zinc/32/92/39/472329239.db2.gz CNPXBNKYBKHMBM-UHFFFAOYSA-N -1 3 327.266 2.727 20 30 EFEDHM COc1ccc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1[N+](=O)[O-] ZINC000069375178 472331555 /nfs/dbraw/zinc/33/15/55/472331555.db2.gz XIXMYUBYUSSHQL-UHFFFAOYSA-N -1 3 343.299 2.812 20 30 EFEDHM COc1ccc(CC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1[N+](=O)[O-] ZINC000069375178 472331559 /nfs/dbraw/zinc/33/15/59/472331559.db2.gz XIXMYUBYUSSHQL-UHFFFAOYSA-N -1 3 343.299 2.812 20 30 EFEDHM COc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000069375178 472331564 /nfs/dbraw/zinc/33/15/64/472331564.db2.gz XIXMYUBYUSSHQL-UHFFFAOYSA-N -1 3 343.299 2.812 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2cccc(N3CCNC3=O)c2C)n1 ZINC000076763103 472399713 /nfs/dbraw/zinc/39/97/13/472399713.db2.gz KXHNKKIXUPPYDC-ZDUSSCGKSA-N -1 3 340.408 2.780 20 30 EFEDHM CNC(=O)c1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000076768185 472400182 /nfs/dbraw/zinc/40/01/82/472400182.db2.gz DFUMREDKAWPANE-ZDUSSCGKSA-N -1 3 347.296 2.950 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000116906076 472447003 /nfs/dbraw/zinc/44/70/03/472447003.db2.gz MDPIIEQYMYPHCN-QMMMGPOBSA-N -1 3 349.206 2.600 20 30 EFEDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)[n-]2)o1 ZINC000097049103 472426377 /nfs/dbraw/zinc/42/63/77/472426377.db2.gz BXFYWGIJYDQEHM-LLVKDONJSA-N -1 3 343.387 2.752 20 30 EFEDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)n2)o1 ZINC000097049103 472426380 /nfs/dbraw/zinc/42/63/80/472426380.db2.gz BXFYWGIJYDQEHM-LLVKDONJSA-N -1 3 343.387 2.752 20 30 EFEDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)n[n-]2)o1 ZINC000097049103 472426388 /nfs/dbraw/zinc/42/63/88/472426388.db2.gz BXFYWGIJYDQEHM-LLVKDONJSA-N -1 3 343.387 2.752 20 30 EFEDHM CC(C)[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)N1C[C@@H](C)O[C@H](C)C1 ZINC000076947053 472430037 /nfs/dbraw/zinc/43/00/37/472430037.db2.gz KYPPAPYGYPMADS-BBBLOLIVSA-N -1 3 349.357 2.545 20 30 EFEDHM CC(C)[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)N1C[C@@H](C)O[C@H](C)C1 ZINC000076947053 472430043 /nfs/dbraw/zinc/43/00/43/472430043.db2.gz KYPPAPYGYPMADS-BBBLOLIVSA-N -1 3 349.357 2.545 20 30 EFEDHM CC(C)[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)N1C[C@@H](C)O[C@H](C)C1 ZINC000076947053 472430052 /nfs/dbraw/zinc/43/00/52/472430052.db2.gz KYPPAPYGYPMADS-BBBLOLIVSA-N -1 3 349.357 2.545 20 30 EFEDHM C=CCOC(=O)c1sc2[n-]c(-c3cccnc3)nc(=O)c2c1C ZINC000032686354 472453674 /nfs/dbraw/zinc/45/36/74/472453674.db2.gz NPPZDROSNMWRHX-UHFFFAOYSA-N -1 3 327.365 2.698 20 30 EFEDHM N#Cc1cc(F)c(N2CCN(C(=O)c3ccccc3[O-])CC2)c(F)c1 ZINC000089589013 472463143 /nfs/dbraw/zinc/46/31/43/472463143.db2.gz IPHUBEVGSHLAFA-UHFFFAOYSA-N -1 3 343.333 2.504 20 30 EFEDHM O=C(Nc1nnc(-c2cccs2)[n-]1)c1ccc(-n2ccnn2)cc1 ZINC000097230084 472483529 /nfs/dbraw/zinc/48/35/29/472483529.db2.gz CQYHWIBDRIUPSI-UHFFFAOYSA-N -1 3 337.368 2.750 20 30 EFEDHM O=C(Nc1n[n-]c(-c2cccs2)n1)c1ccc(-n2ccnn2)cc1 ZINC000097230084 472483536 /nfs/dbraw/zinc/48/35/36/472483536.db2.gz CQYHWIBDRIUPSI-UHFFFAOYSA-N -1 3 337.368 2.750 20 30 EFEDHM CCCC(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000077527790 472548500 /nfs/dbraw/zinc/54/85/00/472548500.db2.gz YSQQBODHNSDGHW-NSHDSACASA-N -1 3 331.376 2.691 20 30 EFEDHM CCCC(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000077527790 472548504 /nfs/dbraw/zinc/54/85/04/472548504.db2.gz YSQQBODHNSDGHW-NSHDSACASA-N -1 3 331.376 2.691 20 30 EFEDHM CCCC(=O)N1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000077527790 472548509 /nfs/dbraw/zinc/54/85/09/472548509.db2.gz YSQQBODHNSDGHW-NSHDSACASA-N -1 3 331.376 2.691 20 30 EFEDHM COCCCN1Cc2cccc(/N=C/c3ccc(O)c([O-])c3O)c2C1 ZINC000102713672 472589312 /nfs/dbraw/zinc/58/93/12/472589312.db2.gz RBHRELNKMQVLNA-KEBDBYFISA-N -1 3 342.395 2.906 20 30 EFEDHM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000071890767 472601881 /nfs/dbraw/zinc/60/18/81/472601881.db2.gz QALQFZZMYZLOFA-QWRGUYRKSA-N -1 3 334.351 2.783 20 30 EFEDHM CC(C)(C)OC(=O)NCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000071890764 472602019 /nfs/dbraw/zinc/60/20/19/472602019.db2.gz CJMBOLZQHRRABM-UHFFFAOYSA-N -1 3 335.339 2.724 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000103028339 472606725 /nfs/dbraw/zinc/60/67/25/472606725.db2.gz QLAOVHMLTKWKMX-UHFFFAOYSA-N -1 3 347.418 2.830 20 30 EFEDHM COc1ccccc1-c1nn(C)cc1C([O-])=C(C#N)c1ccccn1 ZINC000077940935 472644034 /nfs/dbraw/zinc/64/40/34/472644034.db2.gz KKOPQACYUUBAFL-AWEZNQCLSA-N -1 3 332.363 2.981 20 30 EFEDHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156068093 472660856 /nfs/dbraw/zinc/66/08/56/472660856.db2.gz CHRKVUXHPOGSEM-UHFFFAOYSA-N -1 3 339.417 2.960 20 30 EFEDHM N#CCOc1ccc(/C=C/C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000156204394 472677201 /nfs/dbraw/zinc/67/72/01/472677201.db2.gz WYFUDLSMFFXWCN-XBXARRHUSA-N -1 3 326.327 2.763 20 30 EFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000072788565 472716171 /nfs/dbraw/zinc/71/61/71/472716171.db2.gz XXMMCZDNVDKDFE-UHFFFAOYSA-N -1 3 348.322 2.721 20 30 EFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000072788565 472716175 /nfs/dbraw/zinc/71/61/75/472716175.db2.gz XXMMCZDNVDKDFE-UHFFFAOYSA-N -1 3 348.322 2.721 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000072788565 472716182 /nfs/dbraw/zinc/71/61/82/472716182.db2.gz XXMMCZDNVDKDFE-UHFFFAOYSA-N -1 3 348.322 2.721 20 30 EFEDHM CCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000132607205 472743624 /nfs/dbraw/zinc/74/36/24/472743624.db2.gz ZXEBQHKFQCSKFN-LBPRGKRZSA-N -1 3 349.394 2.769 20 30 EFEDHM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000156721674 472744002 /nfs/dbraw/zinc/74/40/02/472744002.db2.gz VFVIFWAJCGZJGH-NEPJUHHUSA-N -1 3 337.401 2.571 20 30 EFEDHM C[C@@H](/N=C/c1cc(Br)ccc1[O-])[C@@H](C)N1CCOCC1 ZINC000105356426 472748026 /nfs/dbraw/zinc/74/80/26/472748026.db2.gz RPNIGKWEQZMGEM-SYRODZOTSA-N -1 3 341.249 2.683 20 30 EFEDHM C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156768100 472750268 /nfs/dbraw/zinc/75/02/68/472750268.db2.gz SZXLGHDDAUDSJY-NEPJUHHUSA-N -1 3 337.401 2.571 20 30 EFEDHM COc1cccc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000064307902 472841555 /nfs/dbraw/zinc/84/15/55/472841555.db2.gz ABXGIFTVZUUDSE-IZZDOVSWSA-N -1 3 331.393 2.963 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 ZINC000064307963 472841833 /nfs/dbraw/zinc/84/18/33/472841833.db2.gz PSGDIQUKFNMGBI-BJMVGYQFSA-N -1 3 326.377 2.826 20 30 EFEDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)cc1[N+](=O)[O-] ZINC000121741802 472904616 /nfs/dbraw/zinc/90/46/16/472904616.db2.gz PYSZQDCKWALBGR-LBPRGKRZSA-N -1 3 345.808 2.773 20 30 EFEDHM Cc1nc(COc2ccccc2C([O-])=C(C#N)c2ccccn2)no1 ZINC000079772899 472920341 /nfs/dbraw/zinc/92/03/41/472920341.db2.gz YMAWSCPZHHHRFM-AWEZNQCLSA-N -1 3 334.335 2.842 20 30 EFEDHM C=CCN(Cc1ccccc1F)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000079840378 472930550 /nfs/dbraw/zinc/93/05/50/472930550.db2.gz ZPTCCFABQYVTOV-UHFFFAOYSA-N -1 3 343.402 2.673 20 30 EFEDHM Cn1ccc2c1cccc2C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000158792077 472967786 /nfs/dbraw/zinc/96/77/86/472967786.db2.gz XOBPFBSLXSAVAQ-HNNXBMFYSA-N -1 3 333.395 2.986 20 30 EFEDHM Cn1ccc2c1cccc2C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000158791938 472967971 /nfs/dbraw/zinc/96/79/71/472967971.db2.gz XOBPFBSLXSAVAQ-OAHLLOKOSA-N -1 3 333.395 2.986 20 30 EFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000050336825 472991344 /nfs/dbraw/zinc/99/13/44/472991344.db2.gz OVDOORKSFLEXHO-SSDOTTSWSA-N -1 3 337.626 2.683 20 30 EFEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000122283340 472996733 /nfs/dbraw/zinc/99/67/33/472996733.db2.gz DYGADKMHZKKSEE-AWEZNQCLSA-N -1 3 333.347 2.850 20 30 EFEDHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2F)CC1 ZINC000159390223 473024947 /nfs/dbraw/zinc/02/49/47/473024947.db2.gz FCGMZBHXHCITRM-UHFFFAOYSA-N -1 3 340.420 2.712 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000135236909 473041238 /nfs/dbraw/zinc/04/12/38/473041238.db2.gz AFGOOPGKXUZSNG-CQSZACIVSA-N -1 3 329.444 2.881 20 30 EFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000080629290 473060213 /nfs/dbraw/zinc/06/02/13/473060213.db2.gz XAHDOMOOWCONNX-SSDOTTSWSA-N -1 3 326.727 2.797 20 30 EFEDHM C=CCC[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000123058319 473092112 /nfs/dbraw/zinc/09/21/12/473092112.db2.gz RIWCLNNXZKCTLL-KRWDZBQOSA-N -1 3 325.412 2.753 20 30 EFEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1F ZINC000066506529 473106277 /nfs/dbraw/zinc/10/62/77/473106277.db2.gz BAWSQCVXFANFKT-CYBMUJFWSA-N -1 3 326.331 2.681 20 30 EFEDHM COCCOc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000066506511 473106364 /nfs/dbraw/zinc/10/63/64/473106364.db2.gz LWZYXDSAOKFJDP-MRXNPFEDSA-N -1 3 325.368 2.609 20 30 EFEDHM C=CCNc1ncc(C(=O)[N-]c2nnc(C(F)(F)F)s2)s1 ZINC000136139507 473137857 /nfs/dbraw/zinc/13/78/57/473137857.db2.gz DYMIBWKQIHYSDP-UHFFFAOYSA-N -1 3 335.336 2.864 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C#N)sc1Br ZINC000094463003 473186364 /nfs/dbraw/zinc/18/63/64/473186364.db2.gz GPAVDGHFCTYGRV-DTWKUNHWSA-N -1 3 349.275 2.790 20 30 EFEDHM N#CC(=C([O-])c1ccnc(-n2cccn2)c1)c1nc2ccccc2[nH]1 ZINC000123811842 473187576 /nfs/dbraw/zinc/18/75/76/473187576.db2.gz BEIAXCLSOMFQGM-ZDUSSCGKSA-N -1 3 328.335 2.634 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)c(F)c1 ZINC000151098874 473409369 /nfs/dbraw/zinc/40/93/69/473409369.db2.gz XUQUWMSBBGYWPX-OAHLLOKOSA-N -1 3 334.347 2.802 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)c(F)c1 ZINC000151133730 473413389 /nfs/dbraw/zinc/41/33/89/473413389.db2.gz ALCBFRZEXFDXKJ-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000151215494 473427821 /nfs/dbraw/zinc/42/78/21/473427821.db2.gz VRBZOWPGLGSFAL-JTQLQIEISA-N -1 3 338.429 2.977 20 30 EFEDHM N#CC(=C([O-])c1ccc(-n2ccnn2)cc1)c1cnc2ccccc2n1 ZINC000190945559 473436924 /nfs/dbraw/zinc/43/69/24/473436924.db2.gz BRBYQZIRRZTDRV-HNNXBMFYSA-N -1 3 340.346 2.701 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3o2)c(F)c1 ZINC000151398694 473452722 /nfs/dbraw/zinc/45/27/22/473452722.db2.gz OXPZBVFSAWWMDW-UHFFFAOYSA-N -1 3 344.367 2.965 20 30 EFEDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)s1 ZINC000164290811 473485963 /nfs/dbraw/zinc/48/59/63/473485963.db2.gz MDNSCMWNCREFBR-SNVBAGLBSA-N -1 3 339.417 2.643 20 30 EFEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H](C)CC#N)s2)cs1 ZINC000178320723 473490314 /nfs/dbraw/zinc/49/03/14/473490314.db2.gz GDVNUHDYDNOKCS-MRVPVSSYSA-N -1 3 327.456 2.761 20 30 EFEDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000152128987 473527416 /nfs/dbraw/zinc/52/74/16/473527416.db2.gz ACLPHZJNSPVJKH-QWHCGFSZSA-N -1 3 328.434 2.650 20 30 EFEDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCC1 ZINC000126884972 473556192 /nfs/dbraw/zinc/55/61/92/473556192.db2.gz AZDBEQLMDULKOS-UHFFFAOYSA-N -1 3 340.420 2.573 20 30 EFEDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000178809184 473568666 /nfs/dbraw/zinc/56/86/66/473568666.db2.gz ODGVLKFYQSBFQR-UHFFFAOYSA-N -1 3 335.316 2.715 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2cc([O-])cc(F)c2)CC1 ZINC000186151117 473602359 /nfs/dbraw/zinc/60/23/59/473602359.db2.gz XVZPANOKTSTFQS-LJQANCHMSA-N -1 3 325.387 2.914 20 30 EFEDHM C=CCN1CCC(NC(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000179229173 473659335 /nfs/dbraw/zinc/65/93/35/473659335.db2.gz GITNMHONBFETOG-UHFFFAOYSA-N -1 3 339.233 2.535 20 30 EFEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccco1 ZINC000269164947 473716554 /nfs/dbraw/zinc/71/65/54/473716554.db2.gz ZVWDAVXERXPDTP-QGZVFWFLSA-N -1 3 348.424 2.991 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000281435670 473721817 /nfs/dbraw/zinc/72/18/17/473721817.db2.gz GTQSCNKJHAOOTL-LBPRGKRZSA-N -1 3 330.331 2.513 20 30 EFEDHM C=CC[C@@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000186822376 473762789 /nfs/dbraw/zinc/76/27/89/473762789.db2.gz RXNDQOCHELYZDD-GOSISDBHSA-N -1 3 338.407 2.598 20 30 EFEDHM C=CCCCCCN(C)C(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269331204 473776353 /nfs/dbraw/zinc/77/63/53/473776353.db2.gz ODARLYJSGRLHMC-IBGZPJMESA-N -1 3 343.427 2.560 20 30 EFEDHM C=CCn1c(C)cc(C(=O)CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1C ZINC000263581934 473785954 /nfs/dbraw/zinc/78/59/54/473785954.db2.gz XVEGKLAPSAGSNK-HNAYVOBHSA-N -1 3 330.428 2.660 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274388978 473804046 /nfs/dbraw/zinc/80/40/46/473804046.db2.gz SBWVREYSAPEPDG-CYBMUJFWSA-N -1 3 345.808 2.855 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000281719193 473817184 /nfs/dbraw/zinc/81/71/84/473817184.db2.gz NKBQAFDFJCAJBR-OAHLLOKOSA-N -1 3 340.427 2.956 20 30 EFEDHM CCCC[C@@H](ON=C(C)C)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000288060430 473837306 /nfs/dbraw/zinc/83/73/06/473837306.db2.gz NPJPXSBUERHEGK-CQSZACIVSA-N -1 3 330.392 2.572 20 30 EFEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2)C2CC2)n1 ZINC000173462960 473844678 /nfs/dbraw/zinc/84/46/78/473844678.db2.gz UHIUFIGFZDQTLM-AWEZNQCLSA-N -1 3 333.438 2.753 20 30 EFEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3cnn[n-]3)c2)cc1 ZINC000194200501 473859379 /nfs/dbraw/zinc/85/93/79/473859379.db2.gz MIISHZXTIJHLPK-UHFFFAOYSA-N -1 3 333.351 2.702 20 30 EFEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3c[n-]nn3)c2)cc1 ZINC000194200501 473859383 /nfs/dbraw/zinc/85/93/83/473859383.db2.gz MIISHZXTIJHLPK-UHFFFAOYSA-N -1 3 333.351 2.702 20 30 EFEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3cn[n-]n3)c2)cc1 ZINC000194200501 473859386 /nfs/dbraw/zinc/85/93/86/473859386.db2.gz MIISHZXTIJHLPK-UHFFFAOYSA-N -1 3 333.351 2.702 20 30 EFEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000274563113 473876691 /nfs/dbraw/zinc/87/66/91/473876691.db2.gz KQIMDKNPJJFGFB-FQEVSTJZSA-N -1 3 349.390 2.532 20 30 EFEDHM C=CCCCCNC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000274667651 473915600 /nfs/dbraw/zinc/91/56/00/473915600.db2.gz HMWWBSDBWPWXSK-UHFFFAOYSA-N -1 3 340.427 2.958 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)OCC ZINC000270036083 473963365 /nfs/dbraw/zinc/96/33/65/473963365.db2.gz MWUKARFUYMKGRW-AWEZNQCLSA-N -1 3 344.408 2.507 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCSCC(C)C ZINC000270106930 473992859 /nfs/dbraw/zinc/99/28/59/473992859.db2.gz JTSGNIAPXVRVHP-UHFFFAOYSA-N -1 3 335.473 2.714 20 30 EFEDHM C=C(C)COc1cccc([N-]S(=O)(=O)CC(C)(C)C(=O)OC)c1 ZINC000288676759 474020275 /nfs/dbraw/zinc/02/02/75/474020275.db2.gz ZQTXYFQRYZIUCO-UHFFFAOYSA-N -1 3 341.429 2.582 20 30 EFEDHM Cc1ccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000181292592 474023029 /nfs/dbraw/zinc/02/30/29/474023029.db2.gz AZYGLVIRCWFMBE-SNVBAGLBSA-N -1 3 338.289 2.694 20 30 EFEDHM COc1ccc(C(=O)NCCSCc2ccccc2C#N)c([O-])c1 ZINC000198193824 474106156 /nfs/dbraw/zinc/10/61/56/474106156.db2.gz KODLKLNUZYLLQW-UHFFFAOYSA-N -1 3 342.420 2.936 20 30 EFEDHM C=C(C)COCCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000188576923 474131532 /nfs/dbraw/zinc/13/15/32/474131532.db2.gz CERBJGSLVDPPPH-UHFFFAOYSA-N -1 3 339.391 2.946 20 30 EFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275355065 474155594 /nfs/dbraw/zinc/15/55/94/474155594.db2.gz HKAGPLHHVBWOHL-LBPRGKRZSA-N -1 3 345.848 2.610 20 30 EFEDHM COC(=O)N(C)Cc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000265278490 474171911 /nfs/dbraw/zinc/17/19/11/474171911.db2.gz FHFUCZZXZJSXBR-AWQFTUOYSA-N -1 3 343.383 2.537 20 30 EFEDHM CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189014784 474265109 /nfs/dbraw/zinc/26/51/09/474265109.db2.gz MZLQOQKYJINONK-UHFFFAOYSA-N -1 3 337.423 2.904 20 30 EFEDHM N#CC1CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000189148257 474307998 /nfs/dbraw/zinc/30/79/98/474307998.db2.gz BHJVPQDDQKXXNC-UHFFFAOYSA-N -1 3 334.375 2.999 20 30 EFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1c(C)cccc1[O-] ZINC000183080820 474322892 /nfs/dbraw/zinc/32/28/92/474322892.db2.gz CRFWPZZVFBEGRS-UHFFFAOYSA-N -1 3 326.400 2.999 20 30 EFEDHM N#CC(=C([O-])c1ccnc(O[C@H]2CCOC2)c1)c1nc2ccccc2[nH]1 ZINC000183451958 474380876 /nfs/dbraw/zinc/38/08/76/474380876.db2.gz TZRHKFPCNHPSHC-UONOGXRCSA-N -1 3 348.362 2.616 20 30 EFEDHM N#CC(=C([O-])c1ccnc(O[C@H]2CCOC2)c1)c1nc2ccccc2[nH]1 ZINC000183451939 474381662 /nfs/dbraw/zinc/38/16/62/474381662.db2.gz TZRHKFPCNHPSHC-KBPBESRZSA-N -1 3 348.362 2.616 20 30 EFEDHM Cc1cc(C(=O)N2CCOCC2)ccc1/N=C/c1cccc([O-])c1O 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COc1ccc([C@@H](OC)[C@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000271355374 474507413 /nfs/dbraw/zinc/50/74/13/474507413.db2.gz WWCFGCVWMLDVOC-UMLXUBHKSA-N -1 3 344.411 2.792 20 30 EFEDHM CCc1ccc([C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)N(C)C)cc1 ZINC000189923585 474507659 /nfs/dbraw/zinc/50/76/59/474507659.db2.gz YYBLDRCGXDVBLY-GOSISDBHSA-N -1 3 337.423 2.859 20 30 EFEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)s1 ZINC000290992383 474590002 /nfs/dbraw/zinc/59/00/02/474590002.db2.gz UDVSTMQHDSRXNP-LLVKDONJSA-N -1 3 349.275 2.790 20 30 EFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000290502604 474574065 /nfs/dbraw/zinc/57/40/65/474574065.db2.gz AAUCYXPMYKXHFF-GFCCVEGCSA-N -1 3 347.209 2.559 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@]2(C)OCCc3sccc32)c1[O-] ZINC000290537864 474575715 /nfs/dbraw/zinc/57/57/15/474575715.db2.gz LIHORXNDCLEBHG-MGABJAEBSA-N -1 3 332.425 2.556 20 30 EFEDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000271528531 474580838 /nfs/dbraw/zinc/58/08/38/474580838.db2.gz BRIYGXDVLYJNDF-KGLIPLIRSA-N -1 3 342.848 2.694 20 30 EFEDHM COc1cccc(C2(C/N=C/c3c([O-])c(C)ncc3CO)CC2)c1 ZINC000290682355 474582650 /nfs/dbraw/zinc/58/26/50/474582650.db2.gz ZUGHLTPFMBPTCZ-KEBDBYFISA-N -1 3 326.396 2.747 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000290998291 474589724 /nfs/dbraw/zinc/58/97/24/474589724.db2.gz SOHGLIDNXLTVEX-YVJZOELXSA-N -1 3 343.402 2.672 20 30 EFEDHM CO[C@H](c1ccccc1F)[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000271833783 474595888 /nfs/dbraw/zinc/59/58/88/474595888.db2.gz RIICFOHKDLJJLB-GCFCWTNHSA-N -1 3 332.375 2.922 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000277906134 474598374 /nfs/dbraw/zinc/59/83/74/474598374.db2.gz MENPOTMAMOLSOS-INIZCTEOSA-N -1 3 340.427 2.749 20 30 EFEDHM CC1(C#N)CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CC1 ZINC000272532603 474615407 /nfs/dbraw/zinc/61/54/07/474615407.db2.gz IQVZBFFSNSUPJZ-UHFFFAOYSA-N -1 3 348.410 2.647 20 30 EFEDHM COc1ccc([O-])c(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 ZINC000337048894 474662863 /nfs/dbraw/zinc/66/28/63/474662863.db2.gz MRFHIZFHAOGNNB-UHFFFAOYSA-N -1 3 334.335 2.710 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3cccc(Cl)c3)C2)c1[O-] ZINC000267527498 474673029 /nfs/dbraw/zinc/67/30/29/474673029.db2.gz XZVRMNKKEPSVJW-PZEXIZOFSA-N -1 3 345.830 2.939 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccon1 ZINC000340797965 474673979 /nfs/dbraw/zinc/67/39/79/474673979.db2.gz WWPANUZPASKINK-MRVPVSSYSA-N -1 3 345.302 2.605 20 30 EFEDHM Cc1ccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1[N+](=O)[O-] ZINC000267707911 474679698 /nfs/dbraw/zinc/67/96/98/474679698.db2.gz SKGWRWVFAGUUSW-NPLBWUPPSA-N -1 3 329.356 2.985 20 30 EFEDHM COC(=O)c1cccc2nc(NC(=O)c3ccc(CC#N)cc3)[n-]c21 ZINC000344446726 474746217 /nfs/dbraw/zinc/74/62/17/474746217.db2.gz DMOFDHGLTUEDHG-UHFFFAOYSA-N -1 3 334.335 2.668 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(CC#N)cc3)nc21 ZINC000344446726 474746225 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Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443041684 476706912 /nfs/dbraw/zinc/70/69/12/476706912.db2.gz XSTJVKQYEAROSM-CYBMUJFWSA-N -1 3 332.400 2.915 20 30 EFEDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000445699499 476760980 /nfs/dbraw/zinc/76/09/80/476760980.db2.gz LCZKXVHZNLOAPS-NSHDSACASA-N -1 3 338.326 2.953 20 30 EFEDHM C=CCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(=O)OCC ZINC000451990747 476762726 /nfs/dbraw/zinc/76/27/26/476762726.db2.gz JTUYHZGJBJUMEW-CQSZACIVSA-N -1 3 345.848 2.657 20 30 EFEDHM N#Cc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000430154988 476770872 /nfs/dbraw/zinc/77/08/72/476770872.db2.gz YNFXUDXAOSHHIR-UHFFFAOYSA-N -1 3 341.168 2.643 20 30 EFEDHM COCC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCC1 ZINC000452040945 476790324 /nfs/dbraw/zinc/79/03/24/476790324.db2.gz BQRQHXDWNCNBFN-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM CCC(C)(C)OCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000457333684 476978693 /nfs/dbraw/zinc/97/86/93/476978693.db2.gz 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Cc1cccc([O-])c1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000598989147 479116561 /nfs/dbraw/zinc/11/65/61/479116561.db2.gz ZXVJZWQFMIQBNS-KRWDZBQOSA-N -1 3 335.407 2.723 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3ccc(F)cc32)CCCCC1 ZINC000547793497 479120403 /nfs/dbraw/zinc/12/04/03/479120403.db2.gz PLTVKFNWTJNEAW-CQSZACIVSA-N -1 3 338.404 2.653 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCC[C@@H](C(=O)OC)c1ccccc1 ZINC000568509460 479126250 /nfs/dbraw/zinc/12/62/50/479126250.db2.gz MARSGKUIYIYDIZ-CYBMUJFWSA-N -1 3 333.413 2.609 20 30 EFEDHM COC[C@@]1(C(=O)[O-])CCN(Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000602019098 479142274 /nfs/dbraw/zinc/14/22/74/479142274.db2.gz AUDRYSBKLARZSO-OAHLLOKOSA-N -1 3 342.317 2.500 20 30 EFEDHM N#CC(=C([O-])c1ccc(CN2CCSCC2)cc1)c1ccncn1 ZINC000554013578 479155432 /nfs/dbraw/zinc/15/54/32/479155432.db2.gz ZMMLTARJYNDLLV-MRXNPFEDSA-N -1 3 338.436 2.515 20 30 EFEDHM C=Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000584563376 479176854 /nfs/dbraw/zinc/17/68/54/479176854.db2.gz 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479285140 /nfs/dbraw/zinc/28/51/40/479285140.db2.gz CSIUVHZPWBIXTN-SNVBAGLBSA-N -1 3 349.225 2.805 20 30 EFEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000611113835 479285165 /nfs/dbraw/zinc/28/51/65/479285165.db2.gz MOAHYLNXZMNAPB-JTQLQIEISA-N -1 3 349.225 2.805 20 30 EFEDHM COc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc(OC)c1[O-] ZINC000611210617 479311922 /nfs/dbraw/zinc/31/19/22/479311922.db2.gz URUGYVSBCKYHRT-LLVKDONJSA-N -1 3 326.352 2.772 20 30 EFEDHM N#CC1(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000611430609 479378432 /nfs/dbraw/zinc/37/84/32/479378432.db2.gz MSMFUSQRSGWENP-UHFFFAOYSA-N -1 3 333.819 3.000 20 30 EFEDHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000593624471 479407185 /nfs/dbraw/zinc/40/71/85/479407185.db2.gz YZFZAMIHJBXXGQ-CHWSQXEVSA-N -1 3 328.434 2.650 20 30 EFEDHM N#CCCCCCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000588334861 479416959 /nfs/dbraw/zinc/41/69/59/479416959.db2.gz OUZSCUYLZRSSDQ-UHFFFAOYSA-N -1 3 327.344 2.819 20 30 EFEDHM Cc1nccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Cl ZINC000611561950 479417211 /nfs/dbraw/zinc/41/72/11/479417211.db2.gz HLIIYWKEBPJQJD-UHFFFAOYSA-N -1 3 344.802 2.626 20 30 EFEDHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589190080 479494835 /nfs/dbraw/zinc/49/48/35/479494835.db2.gz OBMNISQMPWBZIW-FOIQADDNSA-N -1 3 349.434 2.904 20 30 EFEDHM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)CN1Cc1ccccc1 ZINC000589189408 479494887 /nfs/dbraw/zinc/49/48/87/479494887.db2.gz VZBOAHNPHFCERF-KDOFPFPSSA-N -1 3 335.407 2.657 20 30 EFEDHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C#N)Cc1ccccc1 ZINC000604557960 479541827 /nfs/dbraw/zinc/54/18/27/479541827.db2.gz PSMSOOBKZRZGEF-LBPRGKRZSA-N -1 3 329.381 2.504 20 30 EFEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)CCCCCC#N ZINC000589658109 479557432 /nfs/dbraw/zinc/55/74/32/479557432.db2.gz JBNLKJBFAUPQMI-UHFFFAOYSA-N -1 3 331.807 2.970 20 30 EFEDHM CCc1ncc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618717047 479563618 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N#Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)nc1 ZINC000579184782 479670127 /nfs/dbraw/zinc/67/01/27/479670127.db2.gz BJOYBKGJDAVRSV-UHFFFAOYSA-N -1 3 330.307 2.737 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)nc1 ZINC000579184782 479670131 /nfs/dbraw/zinc/67/01/31/479670131.db2.gz BJOYBKGJDAVRSV-UHFFFAOYSA-N -1 3 330.307 2.737 20 30 EFEDHM COCCN(CCC#N)C(=O)CCc1ccc2ccccc2c1[O-] ZINC000590629639 479672647 /nfs/dbraw/zinc/67/26/47/479672647.db2.gz UEZDSZZVAJSTFD-UHFFFAOYSA-N -1 3 326.396 2.867 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc1[O-] ZINC000615473159 479678531 /nfs/dbraw/zinc/67/85/31/479678531.db2.gz MPSZJYGLUXBBCU-QGZVFWFLSA-N -1 3 349.434 2.906 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cc1[O-] ZINC000615473147 479678640 /nfs/dbraw/zinc/67/86/40/479678640.db2.gz MPSZJYGLUXBBCU-KRWDZBQOSA-N -1 3 349.434 2.906 20 30 EFEDHM CCn1ncc(Cl)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000621705552 479759571 /nfs/dbraw/zinc/75/95/71/479759571.db2.gz JPWRJFLKZJUAHI-JTQLQIEISA-N -1 3 327.775 2.933 20 30 EFEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cccc(CC#N)c2)C2CC2)s1 ZINC000619486866 479808922 /nfs/dbraw/zinc/80/89/22/479808922.db2.gz DXZNVNSVHGLQQA-OAHLLOKOSA-N -1 3 347.465 2.947 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc3C2)s1 ZINC000619547612 479825491 /nfs/dbraw/zinc/82/54/91/479825491.db2.gz VFVAVUSMHJUJAE-LBPRGKRZSA-N -1 3 332.450 2.703 20 30 EFEDHM COc1ccc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)nn1 ZINC000609965968 480222700 /nfs/dbraw/zinc/22/27/00/480222700.db2.gz XTUVYDBHDILROY-SECBINFHSA-N -1 3 328.397 2.795 20 30 EFEDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)c(C)c1 ZINC000610084456 480234772 /nfs/dbraw/zinc/23/47/72/480234772.db2.gz RLWIOVOMXSDZMM-UHFFFAOYSA-N -1 3 332.400 2.835 20 30 EFEDHM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610081796 480235652 /nfs/dbraw/zinc/23/56/52/480235652.db2.gz ZDTWVNSLTQEKON-ZDUSSCGKSA-N -1 3 332.400 2.997 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CSc3ccccc32)c(F)c1 ZINC000610089541 480236346 /nfs/dbraw/zinc/23/63/46/480236346.db2.gz UKNOXGCLNCDIOL-ZDUSSCGKSA-N -1 3 334.397 2.823 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000614295230 480258137 /nfs/dbraw/zinc/25/81/37/480258137.db2.gz HJJBHOBCSPESNL-GOSISDBHSA-N -1 3 335.407 2.658 20 30 EFEDHM Cc1ccc([C@H](CNC(=O)c2cc([O-])cc(C#N)c2)N2CCCC2)o1 ZINC000614298142 480258279 /nfs/dbraw/zinc/25/82/79/480258279.db2.gz FNWHUSDTDXHSMN-KRWDZBQOSA-N -1 3 339.395 2.732 20 30 EFEDHM C=CCC1(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])CCC1 ZINC000646200866 481154526 /nfs/dbraw/zinc/15/45/26/481154526.db2.gz MTCREXPYOAVJJT-OLZOCXBDSA-N -1 3 331.416 2.613 20 30 EFEDHM C=CCC1(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])CCC1 ZINC000646200865 481154642 /nfs/dbraw/zinc/15/46/42/481154642.db2.gz MTCREXPYOAVJJT-CHWSQXEVSA-N -1 3 331.416 2.613 20 30 EFEDHM N#CC(=C([O-])c1ccc2c(c1)CCOC2)c1nnc2n1CCCCC2 ZINC000659054354 481196563 /nfs/dbraw/zinc/19/65/63/481196563.db2.gz YYVBLRZBZXHSDP-MRXNPFEDSA-N -1 3 336.395 2.567 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)CCOC4)nc1-2 ZINC000659108407 481205863 /nfs/dbraw/zinc/20/58/63/481205863.db2.gz ODEJIIXOMYWSBG-HNNXBMFYSA-N -1 3 332.363 2.829 20 30 EFEDHM N#CC(=C([O-])c1cncc(-n2ccnn2)c1)c1ccc2ccccc2n1 ZINC000670115229 481434896 /nfs/dbraw/zinc/43/48/96/481434896.db2.gz YAEDCTIOLSFBMV-MRXNPFEDSA-N -1 3 340.346 2.701 20 30 EFEDHM C=CCC1(NC(=O)N=c2[n-]n(C)cc2Br)CCCC1 ZINC000640316804 481914892 /nfs/dbraw/zinc/91/48/92/481914892.db2.gz ZVBBEOGXOGPVCC-UHFFFAOYSA-N -1 3 327.226 2.615 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000344529078 534352389 /nfs/dbraw/zinc/35/23/89/534352389.db2.gz BRFKKQFYHQLMEZ-QMMMGPOBSA-N -1 3 327.299 2.967 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000435585101 534353266 /nfs/dbraw/zinc/35/32/66/534353266.db2.gz SBANSPQJTJTGTF-IAQYHMDHSA-N -1 3 331.384 2.533 20 30 EFEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)n1 ZINC000089821696 519931893 /nfs/dbraw/zinc/93/18/93/519931893.db2.gz NNXJDMBESXYVIY-NSHDSACASA-N -1 3 331.401 2.896 20 30 EFEDHM CC(C)(C)CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000360525117 534597471 /nfs/dbraw/zinc/59/74/71/534597471.db2.gz MMUFPPKOIAUKBO-ZDUSSCGKSA-N -1 3 344.864 2.677 20 30 EFEDHM C=CCCCCCCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000286851575 534673529 /nfs/dbraw/zinc/67/35/29/534673529.db2.gz BLBKHKWDNDNKLJ-IBGZPJMESA-N -1 3 343.427 2.608 20 30 EFEDHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000120959437 523539114 /nfs/dbraw/zinc/53/91/14/523539114.db2.gz COCUTIKVAWZCHY-KRWDZBQOSA-N -1 3 348.399 2.504 20 30 EFEDHM Cc1cccc([O-])c1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 ZINC000179555523 524704329 /nfs/dbraw/zinc/70/43/29/524704329.db2.gz LEUDBWOGGZXSTF-UHFFFAOYSA-N -1 3 333.351 2.593 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000150782915 525404240 /nfs/dbraw/zinc/40/42/40/525404240.db2.gz CVJNRASYOMZVNL-STQMWFEESA-N -1 3 329.444 2.833 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C1CCCCC1 ZINC000076504780 525404769 /nfs/dbraw/zinc/40/47/69/525404769.db2.gz CFPOMPQQLFHVGT-ZDUSSCGKSA-N -1 3 329.444 2.881 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1[N+](=O)[O-] ZINC000178808756 525420252 /nfs/dbraw/zinc/42/02/52/525420252.db2.gz UPSQDPYWNFNHAQ-UHFFFAOYSA-N -1 3 335.316 2.715 20 30 EFEDHM CS[C@H]1CCCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000151252198 525898019 /nfs/dbraw/zinc/89/80/19/525898019.db2.gz CLSKXGHYJFDBJW-AWEZNQCLSA-N -1 3 347.484 2.540 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000157395384 526562877 /nfs/dbraw/zinc/56/28/77/526562877.db2.gz YAMNJYCXTBCMAH-LBPRGKRZSA-N -1 3 346.383 2.542 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1ncc(-c2ccccc2F)o1 ZINC000163747892 527285425 /nfs/dbraw/zinc/28/54/25/527285425.db2.gz VFCQZRORFCGBBR-UHFFFAOYSA-N -1 3 332.360 2.844 20 30 EFEDHM CC(C)n1cc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cn1 ZINC000171982004 528545054 /nfs/dbraw/zinc/54/50/54/528545054.db2.gz JNCRKLCORFSLRT-RUDMXATFSA-N -1 3 333.413 2.732 20 30 EFEDHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185481310 528608327 /nfs/dbraw/zinc/60/83/27/528608327.db2.gz KIPKWSJOAPGBTC-CQSZACIVSA-N -1 3 344.864 2.533 20 30 EFEDHM CC[C@H]1CCC[C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000129359989 529222190 /nfs/dbraw/zinc/22/21/90/529222190.db2.gz FBXDWDYWROJGJZ-LSDHHAIUSA-N -1 3 329.444 2.881 20 30 EFEDHM COc1cccc(-c2nc(C([O-])=C(C#N)c3ccncn3)c(C)[nH]2)c1 ZINC000354471542 537068285 /nfs/dbraw/zinc/06/82/85/537068285.db2.gz ODFLPRVHNHQZDR-CQSZACIVSA-N -1 3 333.351 2.674 20 30 EFEDHM C[C@]1(c2cccc(C(=O)N[C@@H]3CCC[C@H]3C#N)c2)NC(=O)[N-]C1=O ZINC000330215838 545848041 /nfs/dbraw/zinc/84/80/41/545848041.db2.gz HJCROFYUEPXOGI-XTQGRXLLSA-N -1 3 326.356 2.783 20 30 EFEDHM C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000656759699 546913960 /nfs/dbraw/zinc/91/39/60/546913960.db2.gz JWLNDBNNRDSQGE-GOEBONIOSA-N -1 3 330.428 2.678 20 30 EFEDHM C=CCC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000657077580 547025520 /nfs/dbraw/zinc/02/55/20/547025520.db2.gz UVCMKIUMFYIDKQ-LLVKDONJSA-N -1 3 333.837 2.608 20 30 EFEDHM C=CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000657077762 547025885 /nfs/dbraw/zinc/02/58/85/547025885.db2.gz ZNYKHUVVFYDPJD-GFCCVEGCSA-N -1 3 345.848 2.610 20 30 EFEDHM C=C(C)[C@@H](NCc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(F)c(F)c1 ZINC000681464078 549538821 /nfs/dbraw/zinc/53/88/21/549538821.db2.gz VNQQPMFWPCGQAL-OAHLLOKOSA-N -1 3 345.353 2.754 20 30 EFEDHM CC(C)(C#N)CS(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000753874355 575353868 /nfs/dbraw/zinc/35/38/68/575353868.db2.gz GFRPKNJQUGELFK-GJZGRUSLSA-N -1 3 340.420 2.515 20 30 EFEDHM CCOc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc(Cl)c1[O-] ZINC000753937645 575362975 /nfs/dbraw/zinc/36/29/75/575362975.db2.gz FESFCKRQYYPXIG-STQMWFEESA-N -1 3 336.823 2.638 20 30 EFEDHM COc1cccc([O-])c1/C=N/[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000755032521 575532455 /nfs/dbraw/zinc/53/24/55/575532455.db2.gz VHEHDPKNHJIFSG-MNUWJXFPSA-N -1 3 346.333 2.903 20 30 EFEDHM COc1cccc([O-])c1/C=N/[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000755032522 575532460 /nfs/dbraw/zinc/53/24/60/575532460.db2.gz VHEHDPKNHJIFSG-YVJZOELXSA-N -1 3 346.333 2.903 20 30 EFEDHM COc1ccc(NC(=S)NN=Cc2ccc([O-])c(F)c2)cc1OC ZINC000755531859 575597508 /nfs/dbraw/zinc/59/75/08/575597508.db2.gz KGJVDVZRZHQFIN-UHFFFAOYSA-N -1 3 349.387 2.869 20 30 EFEDHM CCn1c(=O)c2ccccc2nc1NN=Cc1ccc([O-])c(F)c1 ZINC000755602925 575606481 /nfs/dbraw/zinc/60/64/81/575606481.db2.gz AOICZGSLBHVPDU-UHFFFAOYSA-N -1 3 326.331 2.707 20 30 EFEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2c[nH]cn2)cc1 ZINC000755683168 575618301 /nfs/dbraw/zinc/61/83/01/575618301.db2.gz OSKOCZNGXZAWFC-UHFFFAOYSA-N -1 3 341.396 2.657 20 30 EFEDHM Cn1cc(C=N[N-]S(=O)(=O)CCc2ccccc2)c2ccccc21 ZINC000755755183 575628772 /nfs/dbraw/zinc/62/87/72/575628772.db2.gz YNHPMHBGJFDMRP-UHFFFAOYSA-N -1 3 341.436 2.674 20 30 EFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc(F)cc(F)c1 ZINC000755892589 575650527 /nfs/dbraw/zinc/65/05/27/575650527.db2.gz YBTCAIFKNGEANU-UHFFFAOYSA-N -1 3 338.379 2.851 20 30 EFEDHM COc1cccc([O-])c1/C=N\[C@H]1CCN(c2ccccc2OC)C1=O ZINC000756773374 575785770 /nfs/dbraw/zinc/78/57/70/575785770.db2.gz AANYMJHSABLBNG-GQFJFNLSSA-N -1 3 340.379 2.634 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2cc([N+](=O)[O-])ccc2Cl)c1[O-] ZINC000756776543 575786151 /nfs/dbraw/zinc/78/61/51/575786151.db2.gz WRBXCCYMNITQBK-IDUWFGFVSA-N -1 3 335.747 2.769 20 30 EFEDHM CC(=NNC(=S)NC1CC1)c1ccc(Br)cc1[O-] ZINC000756824508 575789682 /nfs/dbraw/zinc/78/96/82/575789682.db2.gz VRSRGQAYQWLHOD-UHFFFAOYSA-N -1 3 328.235 2.505 20 30 EFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000756975068 575806894 /nfs/dbraw/zinc/80/68/94/575806894.db2.gz JWPFXNNGXKJVCJ-OAHLLOKOSA-N -1 3 348.355 2.777 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2cc3ccccc3s2)c1[O-] ZINC000757524631 575841486 /nfs/dbraw/zinc/84/14/86/575841486.db2.gz ANWWKDIZHHHIFF-UZSVJVCZSA-N -1 3 342.420 2.955 20 30 EFEDHM COCCn1c(C)cc(CN=Nc2nc3ccccc3c(=O)[n-]2)c1C ZINC000757583377 575843244 /nfs/dbraw/zinc/84/32/44/575843244.db2.gz JWTJSGOJKUZVER-UHFFFAOYSA-N -1 3 339.399 2.846 20 30 EFEDHM CCOc1cc(C=NNC2CCOCC2)cc(Br)c1[O-] ZINC000757596596 575843933 /nfs/dbraw/zinc/84/39/33/575843933.db2.gz CRYNNMPZICPHSF-UHFFFAOYSA-N -1 3 343.221 2.656 20 30 EFEDHM Cc1oc(NC(=O)COC(=O)c2ccc([O-])cc2C)c(C#N)c1C ZINC000758529850 575871647 /nfs/dbraw/zinc/87/16/47/575871647.db2.gz FSTOULPDPADAKI-UHFFFAOYSA-N -1 3 328.324 2.578 20 30 EFEDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cccc(F)c2C#N)n1 ZINC000758589085 575873454 /nfs/dbraw/zinc/87/34/54/575873454.db2.gz ZCYRVWLLRSZXMB-VIFPVBQESA-N -1 3 339.417 2.544 20 30 EFEDHM CCO[C@@H]1COCC[C@H]1/N=C/c1cc(Br)ccc1[O-] ZINC000758815378 575877815 /nfs/dbraw/zinc/87/78/15/575877815.db2.gz KRIILNLFMVXMMK-JSEPGKFPSA-N -1 3 328.206 2.768 20 30 EFEDHM COc1cc(Cl)cc(C=Nn2cc(Br)cn2)c1[O-] ZINC000758880503 575879349 /nfs/dbraw/zinc/87/93/49/575879349.db2.gz UVQILQIEQVIZSP-UHFFFAOYSA-N -1 3 330.569 2.895 20 30 EFEDHM C=C[C@H](CC(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000758920142 575880155 /nfs/dbraw/zinc/88/01/55/575880155.db2.gz LCVWQBMFVLLHCF-CYBMUJFWSA-N -1 3 343.404 2.908 20 30 EFEDHM COc1cccc([O-])c1/C=N/C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000759034863 575883185 /nfs/dbraw/zinc/88/31/85/575883185.db2.gz HDMDDYKCNTYRAF-GKXUUXLPSA-N -1 3 338.407 2.868 20 30 EFEDHM C#CC[N-]C(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc([O-])c1 ZINC000759057243 575883741 /nfs/dbraw/zinc/88/37/41/575883741.db2.gz AALQVNWBMQRGCE-UHFFFAOYSA-O -1 3 345.469 2.792 20 30 EFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C=CSC ZINC000759235997 575887447 /nfs/dbraw/zinc/88/74/47/575887447.db2.gz GJFLNRYEKPQXHG-ZADCQDASSA-N -1 3 334.397 2.577 20 30 EFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=CSC ZINC000759235997 575887448 /nfs/dbraw/zinc/88/74/48/575887448.db2.gz GJFLNRYEKPQXHG-ZADCQDASSA-N -1 3 334.397 2.577 20 30 EFEDHM C[C@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000759307140 575888988 /nfs/dbraw/zinc/88/89/88/575888988.db2.gz TXHVPNVIORNGJT-LBPRGKRZSA-N -1 3 344.392 2.848 20 30 EFEDHM C[C@@H](OC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000759307138 575888995 /nfs/dbraw/zinc/88/89/95/575888995.db2.gz TXHVPNVIORNGJT-GFCCVEGCSA-N -1 3 344.392 2.848 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cccc(Cl)c1F ZINC000759653758 575916133 /nfs/dbraw/zinc/91/61/33/575916133.db2.gz UYIPLYGPBNLIGX-UHFFFAOYSA-N -1 3 326.780 2.933 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1nnc(-c2cccc(F)c2)o1 ZINC000759718716 575925909 /nfs/dbraw/zinc/92/59/09/575925909.db2.gz XRFNPKOABHESHZ-UHFFFAOYSA-N -1 3 333.348 2.651 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCOCC3)cc2)n1 ZINC000760151258 575984654 /nfs/dbraw/zinc/98/46/54/575984654.db2.gz KEFFPZCTXDDOMF-HNNXBMFYSA-N -1 3 327.409 2.778 20 30 EFEDHM COc1ccc(CN=Nc2ncc(F)cn2)c(Br)c1[O-] ZINC000761011066 576101019 /nfs/dbraw/zinc/10/10/19/576101019.db2.gz HGGQNBCVKNCJMC-UHFFFAOYSA-N -1 3 341.140 2.538 20 30 EFEDHM CC(=N[N-]S(=O)(=O)c1ccc(Br)cc1)C(F)(F)F ZINC000761743742 576207497 /nfs/dbraw/zinc/20/74/97/576207497.db2.gz UACODALWNWRPMG-UHFFFAOYSA-N -1 3 345.140 2.666 20 30 EFEDHM [O-]c1ccc2ccccc2c1C=NNc1ccc(-n2ccnc2)nn1 ZINC000761854868 576220601 /nfs/dbraw/zinc/22/06/01/576220601.db2.gz IPSLWCLWNPNSEY-UHFFFAOYSA-N -1 3 330.351 2.967 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762040456 576247909 /nfs/dbraw/zinc/24/79/09/576247909.db2.gz PSVDSHYTJPTFRX-JKSUJKDBSA-N -1 3 335.363 2.547 20 30 EFEDHM [O-]c1ccc2ccccc2c1CN=Nc1nccc(N2CCOCC2)n1 ZINC000762603931 576317142 /nfs/dbraw/zinc/31/71/42/576317142.db2.gz SAMFRNHTKYHJNB-UHFFFAOYSA-N -1 3 349.394 2.618 20 30 EFEDHM COC(=O)c1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)o1 ZINC000763104863 576361723 /nfs/dbraw/zinc/36/17/23/576361723.db2.gz HBBZQWONFSGHRX-XQRVVYSFSA-N -1 3 332.308 2.685 20 30 EFEDHM COC(=O)c1occc1/C=C\C(=O)c1cc(OC)c([O-])cc1OC ZINC000763104279 576361740 /nfs/dbraw/zinc/36/17/40/576361740.db2.gz CETDXZWHYIBUQT-PLNGDYQASA-N -1 3 332.308 2.685 20 30 EFEDHM C=CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccncc1 ZINC000764279331 576445822 /nfs/dbraw/zinc/44/58/22/576445822.db2.gz KHZPQWITEOVDMG-CQSZACIVSA-N -1 3 328.368 2.852 20 30 EFEDHM CCC(N=Nc1ccc(-n2cccn2)nn1)c1ccc([O-])c(F)c1 ZINC000764680414 576488223 /nfs/dbraw/zinc/48/82/23/576488223.db2.gz DUZPBWDGUYEFFT-UHFFFAOYSA-N -1 3 326.335 2.733 20 30 EFEDHM O=S(=O)(NN=Cc1c([O-])ccc2ccccc21)c1ccc(F)cc1 ZINC000764720024 576493454 /nfs/dbraw/zinc/49/34/54/576493454.db2.gz HSBOJVQOLPIIER-UHFFFAOYSA-N -1 3 344.367 2.997 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc3cc[nH]c3n2)c1 ZINC000764762364 576499772 /nfs/dbraw/zinc/49/97/72/576499772.db2.gz SQBJIOUUXWAMQH-CQSZACIVSA-N -1 3 334.335 2.533 20 30 EFEDHM CC(=NOCC(F)(F)F)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000764838932 576510250 /nfs/dbraw/zinc/51/02/50/576510250.db2.gz FKTUTKKDDOGULD-UHFFFAOYSA-N -1 3 332.322 2.527 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@](C)(O)c2cccc(Cl)c2)c1[O-] ZINC000764890017 576517926 /nfs/dbraw/zinc/51/79/26/576517926.db2.gz YJLISKPBMCJSML-WPJYADHBSA-N -1 3 334.803 2.568 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@@](C)(O)c2cccc(Cl)c2)c1[O-] ZINC000764890014 576518044 /nfs/dbraw/zinc/51/80/44/576518044.db2.gz YJLISKPBMCJSML-DZHAGNFRSA-N -1 3 334.803 2.568 20 30 EFEDHM C#CC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000765234611 577021487 /nfs/dbraw/zinc/02/14/87/577021487.db2.gz VGVXYTQWFGCOEJ-HNNXBMFYSA-N -1 3 325.364 2.904 20 30 EFEDHM CC#CCCOC(=O)c1ccc(I)c([O-])c1 ZINC000765506869 577048030 /nfs/dbraw/zinc/04/80/30/577048030.db2.gz GXNBGUZUWCSCEF-UHFFFAOYSA-N -1 3 330.121 2.567 20 30 EFEDHM N#CC(=C([O-])c1ccccc1NCc1cccnc1)c1ccncn1 ZINC000765639615 577062182 /nfs/dbraw/zinc/06/21/82/577062182.db2.gz QEDRTBZEJWESHI-INIZCTEOSA-N -1 3 329.363 2.974 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2[nH]ccc2c1 ZINC000765917054 577087095 /nfs/dbraw/zinc/08/70/95/577087095.db2.gz WSXOVUZSXUCCPQ-ZKKXHLJNSA-N -1 3 330.347 2.924 20 30 EFEDHM N#Cc1c(COC(=O)c2ccc3c(C=O)n[n-]c3c2)cn2ccccc12 ZINC000766184361 577118315 /nfs/dbraw/zinc/11/83/15/577118315.db2.gz MMXKLVSJQSWZHF-UHFFFAOYSA-N -1 3 344.330 2.857 20 30 EFEDHM N#Cc1c(COC(=O)c2ccc3c(C=O)[n-]nc3c2)cn2ccccc12 ZINC000766184361 577118317 /nfs/dbraw/zinc/11/83/17/577118317.db2.gz MMXKLVSJQSWZHF-UHFFFAOYSA-N -1 3 344.330 2.857 20 30 EFEDHM Cc1cc(=O)[n-]c(N=NC2C[C@@H](C)CN(Cc3ccccc3)C2)n1 ZINC000767352338 577205800 /nfs/dbraw/zinc/20/58/00/577205800.db2.gz RDRGVFHTYKQGHY-CYBMUJFWSA-N -1 3 325.416 2.801 20 30 EFEDHM CC(=NNc1nc2ccccc2c(=O)n1C)c1cc(F)ccc1[O-] ZINC000725848432 577248535 /nfs/dbraw/zinc/24/85/35/577248535.db2.gz UINYYYFIWVQXII-UHFFFAOYSA-N -1 3 326.331 2.614 20 30 EFEDHM COc1cc([O-])c(C=NNc2cc(C#N)cc(Cl)n2)cc1OC ZINC000768365832 577268753 /nfs/dbraw/zinc/26/87/53/577268753.db2.gz AXSOFYICFKNDEA-UHFFFAOYSA-N -1 3 332.747 2.775 20 30 EFEDHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NNc1cc(C#N)cc(Cl)n1 ZINC000768382732 577270423 /nfs/dbraw/zinc/27/04/23/577270423.db2.gz YLTXCFADHOMJQZ-UHFFFAOYSA-N -1 3 329.722 2.823 20 30 EFEDHM Cc1nc([N-]C(=O)[C@H](F)c2ccccc2)n(-c2ccc(C#N)cc2)n1 ZINC000769473127 577365242 /nfs/dbraw/zinc/36/52/42/577365242.db2.gz APMLYKUNDZASQC-MRXNPFEDSA-N -1 3 335.342 2.519 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C(Cc1ccccc1)C(F)F ZINC000769570361 577373079 /nfs/dbraw/zinc/37/30/79/577373079.db2.gz NDEYHDOAOJJHNA-UHFFFAOYSA-N -1 3 338.379 2.970 20 30 EFEDHM CC1(C[N-]S(=O)(=O)c2cccc(F)c2C#N)Cc2ccccc2C1 ZINC000769671780 577377914 /nfs/dbraw/zinc/37/79/14/577377914.db2.gz MYXYFRIHZZVFEQ-UHFFFAOYSA-N -1 3 344.411 2.781 20 30 EFEDHM CCOC(=O)C1(C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000769717817 577380951 /nfs/dbraw/zinc/38/09/51/577380951.db2.gz CMJMHEKRKQUASG-LZYBPNLTSA-N -1 3 326.190 2.917 20 30 EFEDHM COc1ccc2c(c1)nc(C/N=C/c1c([O-])cccc1OC)n2C ZINC000769718873 577380960 /nfs/dbraw/zinc/38/09/60/577380960.db2.gz VRTIBLFXNOBILV-VXLYETTFSA-N -1 3 325.368 2.915 20 30 EFEDHM [O-]c1c(O)ccc(C=NNCc2ccc(Br)cc2)c1O ZINC000726739981 577383283 /nfs/dbraw/zinc/38/32/83/577383283.db2.gz NPPXDBNYMWBRDM-UHFFFAOYSA-N -1 3 337.173 2.690 20 30 EFEDHM [O-]c1ccc(Br)c(C=NNC(=S)NCC2CCC2)c1 ZINC000769794250 577385546 /nfs/dbraw/zinc/38/55/46/577385546.db2.gz ZDMMEHFOXAZNIJ-UHFFFAOYSA-N -1 3 342.262 2.753 20 30 EFEDHM [O-]c1ccc(Br)c(C=NNCCN2CCCCC2)c1 ZINC000769793127 577385584 /nfs/dbraw/zinc/38/55/84/577385584.db2.gz MZQBGDGNWRJLIP-UHFFFAOYSA-N -1 3 326.238 2.564 20 30 EFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000770378767 577413824 /nfs/dbraw/zinc/41/38/24/577413824.db2.gz GRTNPZWPSQOEEX-LLVKDONJSA-N -1 3 346.246 2.538 20 30 EFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000738363907 577418173 /nfs/dbraw/zinc/41/81/73/577418173.db2.gz OXWVCPSZKNASLB-CVEARBPZSA-N -1 3 345.443 2.591 20 30 EFEDHM COc1cccc([O-])c1/C=N\[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000770569759 581111575 /nfs/dbraw/zinc/11/15/75/581111575.db2.gz YEUDTLLDWHJQTQ-OYNCOLRUSA-N -1 3 346.333 2.903 20 30 EFEDHM CN1CCN(c2ccc(/C=C3/Oc4cc([O-])ccc4C3=O)cc2)CC1 ZINC000771518059 581220025 /nfs/dbraw/zinc/22/00/25/581220025.db2.gz MVBVXTRMIIUNOJ-XDHOZWIPSA-N -1 3 336.391 2.760 20 30 EFEDHM CN1CCN(c2ccc(/C=C\C(=O)c3cc(O)ccc3[O-])cc2)CC1 ZINC000771525615 581220547 /nfs/dbraw/zinc/22/05/47/581220547.db2.gz RNWOHWRVNBONAH-YWEYNIOJSA-N -1 3 338.407 2.746 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000771605442 581226510 /nfs/dbraw/zinc/22/65/10/581226510.db2.gz ABQRLKYKYZBPDU-UHFFFAOYSA-N -1 3 343.404 2.824 20 30 EFEDHM C=C(C)[C@@H]1CC=C(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)CC1 ZINC000771618774 581227328 /nfs/dbraw/zinc/22/73/28/581227328.db2.gz LSQGZCUYASBASC-HUUCEWRRSA-N -1 3 343.489 2.796 20 30 EFEDHM Cc1cc(S(N)(=O)=O)ccc1C/N=C/c1cc(Cl)ccc1[O-] ZINC000772154359 581289424 /nfs/dbraw/zinc/28/94/24/581289424.db2.gz ILIGWEOUUVVQTG-GIJQJNRQSA-N -1 3 338.816 2.621 20 30 EFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CCCCC#N)CCCCC1 ZINC000772955029 581383407 /nfs/dbraw/zinc/38/34/07/581383407.db2.gz WIJWWGGRTYDOLX-UHFFFAOYSA-N -1 3 344.477 2.644 20 30 EFEDHM COc1c([O-])c(CN=Nc2nncc3ccccc32)ccc1[N+](=O)[O-] ZINC000772996307 581386608 /nfs/dbraw/zinc/38/66/08/581386608.db2.gz HRPSKGBEHZQSEX-UHFFFAOYSA-N -1 3 339.311 2.698 20 30 EFEDHM CN(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)ccn1 ZINC000773977800 581476306 /nfs/dbraw/zinc/47/63/06/581476306.db2.gz ZAELTVFJDSVOHY-CQSZACIVSA-N -1 3 342.786 2.762 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1C1CC1 ZINC000774055392 581480677 /nfs/dbraw/zinc/48/06/77/581480677.db2.gz UNQLVAIANXEJGY-OAHLLOKOSA-N -1 3 335.363 2.929 20 30 EFEDHM COc1ccc(-c2ccncc2)cc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000774374732 581490432 /nfs/dbraw/zinc/49/04/32/581490432.db2.gz NXEGEOUXXVASPC-UHFFFAOYSA-N -1 3 345.366 2.870 20 30 EFEDHM N#Cc1ccc(N2CCN(C(=O)c3cc([O-])cs3)CC2)c(Cl)c1 ZINC000774461262 581492197 /nfs/dbraw/zinc/49/21/97/581492197.db2.gz DHSUHHPVTDNENQ-UHFFFAOYSA-N -1 3 347.827 2.941 20 30 EFEDHM COc1c([O-])c(CN(C)Cc2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000774834759 581501941 /nfs/dbraw/zinc/50/19/41/581501941.db2.gz HVLCJVDHJDKGOG-UHFFFAOYSA-N -1 3 327.340 2.813 20 30 EFEDHM C#CC[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000735374941 598856833 /nfs/dbraw/zinc/85/68/33/598856833.db2.gz GQOGBKVADUADGF-KRWDZBQOSA-N -1 3 347.378 2.502 20 30 EFEDHM C#CC[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000735374941 598856834 /nfs/dbraw/zinc/85/68/34/598856834.db2.gz GQOGBKVADUADGF-KRWDZBQOSA-N -1 3 347.378 2.502 20 30 EFEDHM N#Cc1cc(NC(=O)C=Cc2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC000737704451 598918782 /nfs/dbraw/zinc/91/87/82/598918782.db2.gz IPHCSSXLLUNTTE-DAXSKMNVSA-N -1 3 334.314 2.529 20 30 EFEDHM N#Cc1cc(NC(=O)C=Cc2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC000737704451 598918784 /nfs/dbraw/zinc/91/87/84/598918784.db2.gz IPHCSSXLLUNTTE-DAXSKMNVSA-N -1 3 334.314 2.529 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716925 598921674 /nfs/dbraw/zinc/92/16/74/598921674.db2.gz WZAGBQDBNMEHCP-MRXNPFEDSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716925 598921675 /nfs/dbraw/zinc/92/16/75/598921675.db2.gz WZAGBQDBNMEHCP-MRXNPFEDSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(NC(=O)CCCOc2ccccc2)cc1-c1nnn[n-]1 ZINC000737716141 598922002 /nfs/dbraw/zinc/92/20/02/598922002.db2.gz LNTGGLIXASIALL-UHFFFAOYSA-N -1 3 348.366 2.536 20 30 EFEDHM N#Cc1ccc(NC(=O)CCCOc2ccccc2)cc1-c1nn[n-]n1 ZINC000737716141 598922005 /nfs/dbraw/zinc/92/20/05/598922005.db2.gz LNTGGLIXASIALL-UHFFFAOYSA-N -1 3 348.366 2.536 20 30 EFEDHM CCCCS[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736463397 598928105 /nfs/dbraw/zinc/92/81/05/598928105.db2.gz PAMHGLSOMANVDZ-JTQLQIEISA-N -1 3 330.417 2.599 20 30 EFEDHM CCCCS[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736463397 598928106 /nfs/dbraw/zinc/92/81/06/598928106.db2.gz PAMHGLSOMANVDZ-JTQLQIEISA-N -1 3 330.417 2.599 20 30 EFEDHM CC(=NNCc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)ccc1[O-] ZINC000819772569 607253099 /nfs/dbraw/zinc/25/30/99/607253099.db2.gz GPXQXRIMXBPEEY-UHFFFAOYSA-N -1 3 342.790 2.740 20 30 EFEDHM CCCOc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821134083 607253872 /nfs/dbraw/zinc/25/38/72/607253872.db2.gz NHSCUONXEXCMAQ-UHFFFAOYSA-N -1 3 336.399 2.779 20 30 EFEDHM CCCOc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821134083 607253873 /nfs/dbraw/zinc/25/38/73/607253873.db2.gz NHSCUONXEXCMAQ-UHFFFAOYSA-N -1 3 336.399 2.779 20 30 EFEDHM N#Cc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cc1 ZINC000737717477 599045044 /nfs/dbraw/zinc/04/50/44/599045044.db2.gz DKVPJCWFNGFVIY-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cc1 ZINC000737717477 599045047 /nfs/dbraw/zinc/04/50/47/599045047.db2.gz DKVPJCWFNGFVIY-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM C=CC[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000735410097 599100459 /nfs/dbraw/zinc/10/04/59/599100459.db2.gz UFGAEOGXIGDQHS-HNNXBMFYSA-N -1 3 335.371 2.701 20 30 EFEDHM C=CC[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccncc1 ZINC000735410097 599100461 /nfs/dbraw/zinc/10/04/61/599100461.db2.gz UFGAEOGXIGDQHS-HNNXBMFYSA-N -1 3 335.371 2.701 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccnc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737709329 599200756 /nfs/dbraw/zinc/20/07/56/599200756.db2.gz MVXAJQYDJRDCTO-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccnc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737709329 599200758 /nfs/dbraw/zinc/20/07/58/599200758.db2.gz MVXAJQYDJRDCTO-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCC#Cc2ccc(F)cc2)n1 ZINC000822427788 607326984 /nfs/dbraw/zinc/32/69/84/607326984.db2.gz VAWJRNKUVUKVQR-UHFFFAOYSA-N -1 3 340.387 2.556 20 30 EFEDHM CCN(CC#N)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736511708 598656571 /nfs/dbraw/zinc/65/65/71/598656571.db2.gz JNBQZSXQZCGUQJ-UHFFFAOYSA-N -1 3 348.366 2.645 20 30 EFEDHM CCN(CC#N)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736511708 598656573 /nfs/dbraw/zinc/65/65/73/598656573.db2.gz JNBQZSXQZCGUQJ-UHFFFAOYSA-N -1 3 348.366 2.645 20 30 EFEDHM CC(=NNCCCOc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451101 598787005 /nfs/dbraw/zinc/78/70/05/598787005.db2.gz OUONZKXDXBVIIO-UHFFFAOYSA-N -1 3 336.399 2.649 20 30 EFEDHM CC(=NNCCCOc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451101 598787007 /nfs/dbraw/zinc/78/70/07/598787007.db2.gz OUONZKXDXBVIIO-UHFFFAOYSA-N -1 3 336.399 2.649 20 30 EFEDHM C[C@@H](Nc1ncc(C#N)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820462271 599355187 /nfs/dbraw/zinc/35/51/87/599355187.db2.gz WSSFEWGZJSZPKL-SECBINFHSA-N -1 3 325.763 2.960 20 30 EFEDHM C[C@@H](Nc1ncc(C#N)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820462271 599355188 /nfs/dbraw/zinc/35/51/88/599355188.db2.gz WSSFEWGZJSZPKL-SECBINFHSA-N -1 3 325.763 2.960 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736816599 599403985 /nfs/dbraw/zinc/40/39/85/599403985.db2.gz KPTXTAGONDDYAN-UHFFFAOYSA-N -1 3 341.378 2.923 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736816599 599403986 /nfs/dbraw/zinc/40/39/86/599403986.db2.gz KPTXTAGONDDYAN-UHFFFAOYSA-N -1 3 341.378 2.923 20 30 EFEDHM C[C@@H](C#N)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735505607 599606534 /nfs/dbraw/zinc/60/65/34/599606534.db2.gz RTPXHDHYZSVEHK-NSHDSACASA-N -1 3 334.339 2.679 20 30 EFEDHM C#C[C@@H](C)OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819689106 599625260 /nfs/dbraw/zinc/62/52/60/599625260.db2.gz UTMAXKXIQSJERI-CYBMUJFWSA-N -1 3 348.362 2.624 20 30 EFEDHM C#C[C@@H](C)OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000819689106 599625261 /nfs/dbraw/zinc/62/52/61/599625261.db2.gz UTMAXKXIQSJERI-CYBMUJFWSA-N -1 3 348.362 2.624 20 30 EFEDHM CC(C)CCN(CCC#N)CCOc1cccc(-c2nn[n-]n2)c1 ZINC000820076538 599640127 /nfs/dbraw/zinc/64/01/27/599640127.db2.gz LKIHCZIMXXQGOX-UHFFFAOYSA-N -1 3 328.420 2.507 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CC1 ZINC000736095021 599995653 /nfs/dbraw/zinc/99/56/53/599995653.db2.gz DYBOFNIKGAKDMH-UHFFFAOYSA-N -1 3 346.431 2.963 20 30 EFEDHM N#CCOc1ccc(Cl)cc1CN1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000739088903 600320330 /nfs/dbraw/zinc/32/03/30/600320330.db2.gz WSHYBKDXVPZNKS-AWEZNQCLSA-N -1 3 334.803 2.929 20 30 EFEDHM Cc1ccccc1CN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738772742 600563131 /nfs/dbraw/zinc/56/31/31/600563131.db2.gz OMLKBWPYGAPMFX-HXUWFJFHSA-N -1 3 349.434 2.810 20 30 EFEDHM Cc1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822340945 607458388 /nfs/dbraw/zinc/45/83/88/607458388.db2.gz OEVZVXLDLJMUBA-NTUHNPAUSA-N -1 3 336.326 2.973 20 30 EFEDHM Cc1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822340945 607458389 /nfs/dbraw/zinc/45/83/89/607458389.db2.gz OEVZVXLDLJMUBA-NTUHNPAUSA-N -1 3 336.326 2.973 20 30 EFEDHM N#Cc1ccc([C@H](NCc2ccc(N3CCCC3=O)cc2)C(=O)[O-])cc1 ZINC000739106557 600591580 /nfs/dbraw/zinc/59/15/80/600591580.db2.gz NMYFUVZZYUHJKN-IBGZPJMESA-N -1 3 349.390 2.601 20 30 EFEDHM N#Cc1ccc([C@@H](NCc2ccc(N3CCCC3=O)cc2)C(=O)[O-])cc1 ZINC000739106560 600591594 /nfs/dbraw/zinc/59/15/94/600591594.db2.gz NMYFUVZZYUHJKN-LJQANCHMSA-N -1 3 349.390 2.601 20 30 EFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000736663186 600597627 /nfs/dbraw/zinc/59/76/27/600597627.db2.gz WBRPVGSBLFARQP-CWTRNNRKSA-N -1 3 349.390 2.554 20 30 EFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833062973 601236946 /nfs/dbraw/zinc/23/69/46/601236946.db2.gz GANNGAJHQROLQU-WDMOLILDSA-N -1 3 348.786 2.878 20 30 EFEDHM COC[C@@](C)(CC(=O)[O-])NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000831573724 601488333 /nfs/dbraw/zinc/48/83/33/601488333.db2.gz UMPLBKPRLNYELN-OAHLLOKOSA-N -1 3 329.318 2.526 20 30 EFEDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000826055109 601654596 /nfs/dbraw/zinc/65/45/96/601654596.db2.gz VYHUGJZHZPCCPT-NHYWBVRUSA-N -1 3 343.408 2.610 20 30 EFEDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000826053140 601656435 /nfs/dbraw/zinc/65/64/35/601656435.db2.gz IPESCDXBWUOOKQ-ACJLOTCBSA-N -1 3 337.379 2.548 20 30 EFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccnc(C#N)c1 ZINC000824324745 607548263 /nfs/dbraw/zinc/54/82/63/607548263.db2.gz UCQWHAPRIAZOIM-UHFFFAOYSA-N -1 3 335.371 2.533 20 30 EFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccnc(C#N)c1 ZINC000824324745 607548264 /nfs/dbraw/zinc/54/82/64/607548264.db2.gz UCQWHAPRIAZOIM-UHFFFAOYSA-N -1 3 335.371 2.533 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)SC ZINC000823910026 607577099 /nfs/dbraw/zinc/57/70/99/607577099.db2.gz WJZAFIBLUIZNQY-CQSZACIVSA-N -1 3 331.445 2.523 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)SC ZINC000823910026 607577101 /nfs/dbraw/zinc/57/71/01/607577101.db2.gz WJZAFIBLUIZNQY-CQSZACIVSA-N -1 3 331.445 2.523 20 30 EFEDHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2cccc(C#N)c2)c1 ZINC000832040355 604456482 /nfs/dbraw/zinc/45/64/82/604456482.db2.gz DRCFHCSWCBMUEN-GOSISDBHSA-N -1 3 340.379 2.833 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000826246638 607698955 /nfs/dbraw/zinc/69/89/55/607698955.db2.gz IGYNTZKZYAKXCC-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000826246638 607698957 /nfs/dbraw/zinc/69/89/57/607698957.db2.gz IGYNTZKZYAKXCC-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM C[C@@H]1CC(C)(C)C[C@](CO)(NCc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833589135 604615829 /nfs/dbraw/zinc/61/58/29/604615829.db2.gz KVNALCIKBZIDFP-BFUOFWGJSA-N -1 3 330.428 2.923 20 30 EFEDHM Cc1ccn(-c2ccccc2CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832983820 604645695 /nfs/dbraw/zinc/64/56/95/604645695.db2.gz PNGNYLNGPCSOQB-LJQANCHMSA-N -1 3 346.390 2.968 20 30 EFEDHM C[C@@]1(NCc2nnc(-c3cccc(C#N)c3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833568909 605072027 /nfs/dbraw/zinc/07/20/27/605072027.db2.gz IIFRAUIBSVSFBB-KBXCAEBGSA-N -1 3 340.383 2.731 20 30 EFEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCC(C)(C)C#N ZINC000822505915 606172347 /nfs/dbraw/zinc/17/23/47/606172347.db2.gz ZASCAWNAGJYHNK-UHFFFAOYSA-N -1 3 336.403 2.764 20 30 EFEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCC(C)(C)C#N ZINC000822505915 606172349 /nfs/dbraw/zinc/17/23/49/606172349.db2.gz ZASCAWNAGJYHNK-UHFFFAOYSA-N -1 3 336.403 2.764 20 30 EFEDHM C[C@H](OC(=O)c1ccc(C#N)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512469 606179821 /nfs/dbraw/zinc/17/98/21/606179821.db2.gz LDZIUBVLNKAVIH-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](OC(=O)c1ccc(C#N)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512469 606179823 /nfs/dbraw/zinc/17/98/23/606179823.db2.gz LDZIUBVLNKAVIH-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM N#Cc1csc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822845691 606478818 /nfs/dbraw/zinc/47/88/18/606478818.db2.gz DGVFZXPWHCLBAL-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1csc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822845691 606478820 /nfs/dbraw/zinc/47/88/20/606478820.db2.gz DGVFZXPWHCLBAL-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000822845719 606478967 /nfs/dbraw/zinc/47/89/67/606478967.db2.gz FOEFJUROGVJWQK-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM N#Cc1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000822845719 606478968 /nfs/dbraw/zinc/47/89/68/606478968.db2.gz FOEFJUROGVJWQK-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM C=C(C)COCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819723076 606791014 /nfs/dbraw/zinc/79/10/14/606791014.db2.gz XEIUZVRKNVXMMM-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=C(C)COCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000819723076 606791015 /nfs/dbraw/zinc/79/10/15/606791015.db2.gz XEIUZVRKNVXMMM-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=CCNc1nnc(SCc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000819750348 607004436 /nfs/dbraw/zinc/00/44/36/607004436.db2.gz DCSAOZXDJJMLLH-UHFFFAOYSA-N -1 3 349.420 2.748 20 30 EFEDHM C=CCNc1nnc(SCc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000819750348 607004437 /nfs/dbraw/zinc/00/44/37/607004437.db2.gz DCSAOZXDJJMLLH-UHFFFAOYSA-N -1 3 349.420 2.748 20 30 EFEDHM CCCn1nc(C)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000821149298 607111473 /nfs/dbraw/zinc/11/14/73/607111473.db2.gz VARODMVCZSPLAA-HJWRWDBZSA-N -1 3 336.399 2.986 20 30 EFEDHM CCCn1nc(C)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000821149298 607111474 /nfs/dbraw/zinc/11/14/74/607111474.db2.gz VARODMVCZSPLAA-HJWRWDBZSA-N -1 3 336.399 2.986 20 30 EFEDHM N#Cc1ccc(OCCCOc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000822832903 607133938 /nfs/dbraw/zinc/13/39/38/607133938.db2.gz IJEYPZLSGLYOFE-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822832903 607133939 /nfs/dbraw/zinc/13/39/39/607133939.db2.gz IJEYPZLSGLYOFE-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1cccc(OCCCOc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822837117 607135429 /nfs/dbraw/zinc/13/54/29/607135429.db2.gz FQNVNZVZVVYZBS-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1cccc(OCCCOc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822837117 607135431 /nfs/dbraw/zinc/13/54/31/607135431.db2.gz FQNVNZVZVVYZBS-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822829639 607243858 /nfs/dbraw/zinc/24/38/58/607243858.db2.gz BGFQSUBLOKGQCU-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822829639 607243859 /nfs/dbraw/zinc/24/38/59/607243859.db2.gz BGFQSUBLOKGQCU-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM CCCCCCCCNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825270684 607854467 /nfs/dbraw/zinc/85/44/67/607854467.db2.gz BMNHKESEQXADQL-UHFFFAOYSA-N -1 3 331.420 2.722 20 30 EFEDHM N#Cc1c(F)cccc1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826383366 607866515 /nfs/dbraw/zinc/86/65/15/607866515.db2.gz XPACQFVJLIXZNY-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1c(F)cccc1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000826383366 607866516 /nfs/dbraw/zinc/86/65/16/607866516.db2.gz XPACQFVJLIXZNY-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC000826187504 607882918 /nfs/dbraw/zinc/88/29/18/607882918.db2.gz SXXIGBQMMQFFBL-JXMROGBWSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC000826187504 607882919 /nfs/dbraw/zinc/88/29/19/607882919.db2.gz SXXIGBQMMQFFBL-JXMROGBWSA-N -1 3 336.351 2.780 20 30 EFEDHM N#Cc1ccc2c(c1)CCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826385869 607884836 /nfs/dbraw/zinc/88/48/36/607884836.db2.gz FPRAEEPVDQSJJC-XNTDXEJSSA-N -1 3 327.347 2.951 20 30 EFEDHM N#Cc1ccc2c(c1)CCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826385869 607884837 /nfs/dbraw/zinc/88/48/37/607884837.db2.gz FPRAEEPVDQSJJC-XNTDXEJSSA-N -1 3 327.347 2.951 20 30 EFEDHM N#Cc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1-c1nnn[n-]1 ZINC000826385350 608005007 /nfs/dbraw/zinc/00/50/07/608005007.db2.gz IKLRKNCUULUWLB-UHFFFAOYSA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1-c1nn[n-]n1 ZINC000826385350 608005008 /nfs/dbraw/zinc/00/50/08/608005008.db2.gz IKLRKNCUULUWLB-UHFFFAOYSA-N -1 3 332.314 2.502 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000825966288 608222033 /nfs/dbraw/zinc/22/20/33/608222033.db2.gz WQXJEXITOWLZBA-UHFFFAOYSA-N -1 3 341.378 2.923 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000825966288 608222035 /nfs/dbraw/zinc/22/20/35/608222035.db2.gz WQXJEXITOWLZBA-UHFFFAOYSA-N -1 3 341.378 2.923 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(CC)ccn1 ZINC000823914620 608458801 /nfs/dbraw/zinc/45/88/01/608458801.db2.gz JVAGPFKLVLTZEA-UHFFFAOYSA-N -1 3 348.410 2.653 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(CC)ccn1 ZINC000823914620 608458802 /nfs/dbraw/zinc/45/88/02/608458802.db2.gz JVAGPFKLVLTZEA-UHFFFAOYSA-N -1 3 348.410 2.653 20 30 EFEDHM COc1ccc([C@@H](C)C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826188278 608534084 /nfs/dbraw/zinc/53/40/84/608534084.db2.gz SADPHOUHYMLNAI-ZDUSSCGKSA-N -1 3 336.399 2.754 20 30 EFEDHM COc1ccc([C@@H](C)C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826188278 608534086 /nfs/dbraw/zinc/53/40/86/608534086.db2.gz SADPHOUHYMLNAI-ZDUSSCGKSA-N -1 3 336.399 2.754 20 30 EFEDHM Fc1ccc(F)c(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826374586 608538245 /nfs/dbraw/zinc/53/82/45/608538245.db2.gz FFAOKHHVRKZHHQ-UHFFFAOYSA-N -1 3 335.705 2.639 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000826212723 608879475 /nfs/dbraw/zinc/87/94/75/608879475.db2.gz ZMDLEVLZOVYWRB-WUXMJOGZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000826212723 608879476 /nfs/dbraw/zinc/87/94/76/608879476.db2.gz ZMDLEVLZOVYWRB-WUXMJOGZSA-N -1 3 336.326 2.837 20 30 EFEDHM CCNc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000825480786 609178962 /nfs/dbraw/zinc/17/89/62/609178962.db2.gz KXOUEVOYSJAODE-UHFFFAOYSA-N -1 3 337.362 2.921 20 30 EFEDHM CCNc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000825480786 609178964 /nfs/dbraw/zinc/17/89/64/609178964.db2.gz KXOUEVOYSJAODE-UHFFFAOYSA-N -1 3 337.362 2.921 20 30 EFEDHM C=CCC[C@@H](C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823894500 609258097 /nfs/dbraw/zinc/25/80/97/609258097.db2.gz RPTGPXYRUNMLJV-CJNGLKHVSA-N -1 3 341.415 2.733 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1O ZINC000826190528 609271757 /nfs/dbraw/zinc/27/17/57/609271757.db2.gz DYILKCOWNLXCPQ-QHHAFSJGSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1O ZINC000826190528 609271758 /nfs/dbraw/zinc/27/17/58/609271758.db2.gz DYILKCOWNLXCPQ-QHHAFSJGSA-N -1 3 340.314 2.616 20 30 EFEDHM C=CCN(CCc1ccco1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000823909949 609436730 /nfs/dbraw/zinc/43/67/30/609436730.db2.gz TXJKOLGWRKOMAV-UHFFFAOYSA-N -1 3 340.343 2.603 20 30 EFEDHM C=CCN(CCc1ccco1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000823909949 609436732 /nfs/dbraw/zinc/43/67/32/609436732.db2.gz TXJKOLGWRKOMAV-UHFFFAOYSA-N -1 3 340.343 2.603 20 30 EFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCCC(C)(C)C#N ZINC000826162166 609486089 /nfs/dbraw/zinc/48/60/89/609486089.db2.gz PXEPYKYGSUNURD-UHFFFAOYSA-N -1 3 344.419 2.634 20 30 EFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCCC(C)(C)C#N ZINC000826162166 609486091 /nfs/dbraw/zinc/48/60/91/609486091.db2.gz PXEPYKYGSUNURD-UHFFFAOYSA-N -1 3 344.419 2.634 20 30 EFEDHM C[C@H](C#N)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000824034851 609511893 /nfs/dbraw/zinc/51/18/93/609511893.db2.gz PVHSOUBHBHJBHZ-LLVKDONJSA-N -1 3 338.346 2.909 20 30 EFEDHM C[C@H](C#N)Oc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000824034851 609511895 /nfs/dbraw/zinc/51/18/95/609511895.db2.gz PVHSOUBHBHJBHZ-LLVKDONJSA-N -1 3 338.346 2.909 20 30 EFEDHM C=CCOCCCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823924928 609618295 /nfs/dbraw/zinc/61/82/95/609618295.db2.gz AKKPGXVDVABJLI-UHFFFAOYSA-N -1 3 336.779 2.546 20 30 EFEDHM C=CCOCCCC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823924928 609618296 /nfs/dbraw/zinc/61/82/96/609618296.db2.gz AKKPGXVDVABJLI-UHFFFAOYSA-N -1 3 336.779 2.546 20 30 EFEDHM C[C@]1(CNc2ncccc2C#N)CCN(C(=O)c2ccccc2[O-])C1 ZINC001065389985 1265631590 /nfs/dbraw/zinc/63/15/90/1265631590.db2.gz NAVDYRUTYCXJPV-LJQANCHMSA-N -1 3 336.395 2.623 20 30 EFEDHM N#Cc1ccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)nc1 ZINC000179986950 1252270199 /nfs/dbraw/zinc/27/01/99/1252270199.db2.gz AYOUSTBFCVOPBQ-UHFFFAOYSA-N -1 3 328.803 2.634 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000945439077 1253338500 /nfs/dbraw/zinc/33/85/00/1253338500.db2.gz PJJCXTIPUXQZQZ-UKRRQHHQSA-N -1 3 330.428 2.571 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000945439074 1253339252 /nfs/dbraw/zinc/33/92/52/1253339252.db2.gz PJJCXTIPUXQZQZ-HIFRSBDPSA-N -1 3 330.428 2.571 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC000946001675 1254335749 /nfs/dbraw/zinc/33/57/49/1254335749.db2.gz NUNGBLUSWSMUPE-GOEBONIOSA-N -1 3 342.439 2.667 20 30 EFEDHM N#Cc1ccc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)nc1 ZINC000112594765 1255289683 /nfs/dbraw/zinc/28/96/83/1255289683.db2.gz LBSBDTLPEPQEMN-UHFFFAOYSA-N -1 3 325.328 2.863 20 30 EFEDHM N#Cc1cccnc1NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001089897436 1256445999 /nfs/dbraw/zinc/44/59/99/1256445999.db2.gz QJPDOYGVOLMQRD-UHFFFAOYSA-N -1 3 336.395 2.671 20 30 EFEDHM Cc1nsc(N[C@H](C)CCNC(=O)c2ccccc2[O-])c1C#N ZINC001098837250 1257114889 /nfs/dbraw/zinc/11/48/89/1257114889.db2.gz ISAGIUNKZPAKSJ-SNVBAGLBSA-N -1 3 330.413 2.649 20 30 EFEDHM C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c([O-])c(F)c1)CC2 ZINC001272781690 1258011085 /nfs/dbraw/zinc/01/10/85/1258011085.db2.gz GCKJEPMVRQSKLB-ZDUSSCGKSA-N -1 3 336.382 2.575 20 30 EFEDHM C#CCN1CC[C@@]2(CCCN(Cc3cc(F)c([O-])c(F)c3)CC2)C1=O ZINC001272782791 1258014495 /nfs/dbraw/zinc/01/44/95/1258014495.db2.gz NPMDXMHOOSUTCK-IBGZPJMESA-N -1 3 348.393 2.508 20 30 EFEDHM C=C(Cl)CN1CCC[C@@H](N(CC)C(=O)c2ncccc2[O-])CC1 ZINC000997992398 1258916855 /nfs/dbraw/zinc/91/68/55/1258916855.db2.gz PEUOXRNFRQAKDQ-CQSZACIVSA-N -1 3 337.851 2.856 20 30 EFEDHM CC#CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065865565 1266244037 /nfs/dbraw/zinc/24/40/37/1266244037.db2.gz WDROBWUSXOOIDE-MRXNPFEDSA-N -1 3 342.439 2.697 20 30 EFEDHM C=C1CC(C)(C(=O)NC[C@H]2CCCCN2C(=O)c2ccccc2[O-])C1 ZINC001062015774 1260016917 /nfs/dbraw/zinc/01/69/17/1260016917.db2.gz WDVQZAIFFPUJIA-OAHLLOKOSA-N -1 3 342.439 2.859 20 30 EFEDHM Cc1nc2cc(C(=O)N([O-])Cc3ccc(F)cc3)ccc2c(=O)[nH]1 ZINC000900095785 1261423749 /nfs/dbraw/zinc/42/37/49/1261423749.db2.gz JGFJBEAFKLGZPR-UHFFFAOYSA-N -1 3 327.315 2.815 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCC[C@H](NC(=O)c3ccccc3[O-])C2)nc1 ZINC001061047940 1262820865 /nfs/dbraw/zinc/82/08/65/1262820865.db2.gz NSKOSBPBNDTYQW-GJZGRUSLSA-N -1 3 336.395 2.812 20 30 EFEDHM C=C(C)CCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066225285 1266756571 /nfs/dbraw/zinc/75/65/71/1266756571.db2.gz ZZFRJAMCEFATPX-OAHLLOKOSA-N -1 3 330.428 2.859 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCN(C(=O)c3cc([O-])cc(Cl)c3)C2)C1=O ZINC001273000765 1265064926 /nfs/dbraw/zinc/06/49/26/1265064926.db2.gz YCQSWUAGSRSLOT-GOSISDBHSA-N -1 3 348.830 2.686 20 30 EFEDHM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1cc([O-])cc(Cl)c1)CC2 ZINC001273000870 1265068418 /nfs/dbraw/zinc/06/84/18/1265068418.db2.gz ZUVLFJMLTBARCD-OAHLLOKOSA-N -1 3 348.830 2.590 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032922200 1265408071 /nfs/dbraw/zinc/40/80/71/1265408071.db2.gz UDVYWPRJBXVDPL-QGZVFWFLSA-N -1 3 335.407 2.610 20 30 EFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000734502377 1266993352 /nfs/dbraw/zinc/99/33/52/1266993352.db2.gz AFQKNPNZCNOKHV-CYBMUJFWSA-N -1 3 333.369 2.586 20 30 EFEDHM C=CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccncc1 ZINC000734504532 1266997787 /nfs/dbraw/zinc/99/77/87/1266997787.db2.gz RJAVKUACSBMRON-AWEZNQCLSA-N -1 3 347.396 2.894 20 30 EFEDHM CC(C)(C)N1CC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1=O ZINC000843265614 1267066882 /nfs/dbraw/zinc/06/68/82/1267066882.db2.gz HGESOJQYHYZOPY-AXIYWZQUSA-N -1 3 339.233 2.973 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@H](C)[C@@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC001004549786 1267275450 /nfs/dbraw/zinc/27/54/50/1267275450.db2.gz BETAXEBXCBGLCA-HOCLYGCPSA-N -1 3 342.439 2.715 20 30 EFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cnn(-c4ccccc4)n3)[nH]c21 ZINC000735791878 1267426143 /nfs/dbraw/zinc/42/61/43/1267426143.db2.gz DAAWIRYFUWWZDI-AWEZNQCLSA-N -1 3 342.362 2.942 20 30 EFEDHM N#Cc1ccc(NCC[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)cn1 ZINC001066263927 1267581321 /nfs/dbraw/zinc/58/13/21/1267581321.db2.gz FIJRSDSSOONGMM-CQSZACIVSA-N -1 3 336.395 2.623 20 30 EFEDHM N#Cc1ccc(NCC[C@H]2CCN(C(=O)c3ccccc3[O-])C2)cn1 ZINC001066263926 1267582219 /nfs/dbraw/zinc/58/22/19/1267582219.db2.gz FIJRSDSSOONGMM-AWEZNQCLSA-N -1 3 336.395 2.623 20 30 EFEDHM CN(C[C@H]1CCN1Cc1cccc(C#N)c1)C(=O)c1ccccc1[O-] ZINC001085488664 1267629749 /nfs/dbraw/zinc/62/97/49/1267629749.db2.gz DMNUTWXVAYFDSJ-QGZVFWFLSA-N -1 3 335.407 2.610 20 30 EFEDHM CCOc1cc(C=NN=c2cc[nH]c(N(C)C)n2)cc(Cl)c1[O-] ZINC000739417671 1268687168 /nfs/dbraw/zinc/68/71/68/1268687168.db2.gz BHKZOVGLWRIMEO-UHFFFAOYSA-N -1 3 335.795 2.746 20 30 EFEDHM C#CCSCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000739987682 1268782826 /nfs/dbraw/zinc/78/28/26/1268782826.db2.gz VEWIOJQJMBHGGM-UHFFFAOYSA-N -1 3 338.281 2.947 20 30 EFEDHM COc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1-n1cnnn1 ZINC000741465650 1269540231 /nfs/dbraw/zinc/54/02/31/1269540231.db2.gz WXHHSVFMYBCWBL-UHFFFAOYSA-N -1 3 329.747 2.781 20 30 EFEDHM Cc1cccc2oc(CC/N=C\c3c([O-])c(C)ncc3CO)nc21 ZINC000743045750 1270380186 /nfs/dbraw/zinc/38/01/86/1270380186.db2.gz WTFVFVPOXKNLCS-OCKHKDLRSA-N -1 3 325.368 2.699 20 30 EFEDHM C#CCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])cc1 ZINC000743416655 1270581019 /nfs/dbraw/zinc/58/10/19/1270581019.db2.gz JUPPJURTNIGZDH-UHFFFAOYSA-N -1 3 339.347 2.833 20 30 EFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(C)cc1O ZINC000743448517 1270584046 /nfs/dbraw/zinc/58/40/46/1270584046.db2.gz SNEULWDYFOCCQI-UHFFFAOYSA-N -1 3 332.425 2.587 20 30 EFEDHM CCCCCCNC(=O)C(C#N)=C([O-])c1nc(C)n2ccccc12 ZINC000744021641 1270833892 /nfs/dbraw/zinc/83/38/92/1270833892.db2.gz AVNXRFYIBWQWGT-AWEZNQCLSA-N -1 3 326.400 2.662 20 30 EFEDHM CC(C)(C)c1cc(C=NN2CC(=O)[N-]C2=O)cc(C(C)(C)C)c1O ZINC000744810691 1271178602 /nfs/dbraw/zinc/17/86/02/1271178602.db2.gz VXRZPHAFJQJFCY-UHFFFAOYSA-N -1 3 331.416 2.873 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)ccc1[O-] ZINC001143649791 1278632880 /nfs/dbraw/zinc/63/28/80/1278632880.db2.gz VXFMFEBMUZZODU-AWEZNQCLSA-N -1 3 336.269 2.955 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cccc(-n3cccn3)c2)c1[O-] ZINC000745976879 1271707040 /nfs/dbraw/zinc/70/70/40/1271707040.db2.gz OLGSDGDJGSPORA-PJICWNCHSA-N -1 3 336.395 2.954 20 30 EFEDHM COC(=O)n1ncc(C#N)c1[N-]c1ccc2ncccc2c1[N+](=O)[O-] ZINC001169968276 1273269167 /nfs/dbraw/zinc/26/91/67/1273269167.db2.gz ODPOMQLVHZQHAF-UHFFFAOYSA-N -1 3 338.283 2.569 20 30 EFEDHM COC(=O)n1ncc(C#N)c1Nc1[n-]c(=O)c(Cl)cc1Cl ZINC001169962514 1273283574 /nfs/dbraw/zinc/28/35/74/1273283574.db2.gz QSZQYZBUHDZOJT-UHFFFAOYSA-N -1 3 328.115 2.520 20 30 EFEDHM CC(C)(C)n1cc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)nn1 ZINC000792542274 1278860687 /nfs/dbraw/zinc/86/06/87/1278860687.db2.gz QVDXRYODPDHRFB-UHFFFAOYSA-N -1 3 348.750 2.719 20 30 EFEDHM Cc1oc(NC(=O)COC(=O)c2cc3occc3[n-]2)c(C#N)c1C ZINC000786031290 1275280523 /nfs/dbraw/zinc/28/05/23/1275280523.db2.gz KXNJTVWHUCVZFI-UHFFFAOYSA-N -1 3 327.296 2.638 20 30 EFEDHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)NC1(C#N)CCC1 ZINC000786139458 1275307848 /nfs/dbraw/zinc/30/78/48/1275307848.db2.gz HXFOUYOJJDDUBY-SNVBAGLBSA-N -1 3 344.392 2.715 20 30 EFEDHM C[C@@H](NC(=O)c1ccccc1[O-])[C@H](C)Nc1ncc(C#N)cc1Cl ZINC001112912088 1276233922 /nfs/dbraw/zinc/23/39/22/1276233922.db2.gz VMZBWLFBTGJKGM-WDEREUQCSA-N -1 3 344.802 2.931 20 30 EFEDHM CCCCCCCCC(=O)N[C@H](C)C[C@H](C)NCc1n[nH]c(=O)[n-]1 ZINC001135991414 1276280875 /nfs/dbraw/zinc/28/08/75/1276280875.db2.gz CTDTVTBEHXAJSG-UONOGXRCSA-N -1 3 339.484 2.634 20 30 EFEDHM N#CCOc1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788748153 1276310649 /nfs/dbraw/zinc/31/06/49/1276310649.db2.gz RRLQOZTXVMYODM-UHFFFAOYSA-N -1 3 342.376 2.764 20 30 EFEDHM C=CCn1cc(CNCc2cc(C)cc(Br)c2[O-])nn1 ZINC000818225017 1276494882 /nfs/dbraw/zinc/49/48/82/1276494882.db2.gz XDTQLBHIBHWJMK-UHFFFAOYSA-N -1 3 337.221 2.530 20 30 EFEDHM CCCCOc1ccc(C(=O)NCc2ccc(C#N)cn2)c([O-])c1 ZINC000789910084 1277097294 /nfs/dbraw/zinc/09/72/94/1277097294.db2.gz CEADVPCBSLBDIT-UHFFFAOYSA-N -1 3 325.368 2.768 20 30 EFEDHM O=C(CSc1cc(Cl)ccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000820470560 1277185091 /nfs/dbraw/zinc/18/50/91/1277185091.db2.gz BRRJCPRNHQIWMZ-SNVBAGLBSA-N -1 3 349.239 2.582 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1occc1CSc1ccccc1 ZINC000820471045 1277186189 /nfs/dbraw/zinc/18/61/89/1277186189.db2.gz LSZQBCBARZUNDU-AWEZNQCLSA-N -1 3 346.408 2.682 20 30 EFEDHM C/C(=C/C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000820476503 1277188287 /nfs/dbraw/zinc/18/82/87/1277188287.db2.gz MIHGTHGDXWFERV-XPSMFNQNSA-N -1 3 342.317 2.605 20 30 EFEDHM Cc1cccc(C2(C(=O)N[C@@H]3CCCN([O-])C3=O)CCCCC2)c1 ZINC000820475846 1277188967 /nfs/dbraw/zinc/18/89/67/1277188967.db2.gz BCUWEBBJRZWKNC-MRXNPFEDSA-N -1 3 330.428 2.693 20 30 EFEDHM COc1ccc(CCC(=O)[N-]OCCOc2ccccc2C#N)cc1 ZINC000871798548 1287297478 /nfs/dbraw/zinc/29/74/78/1287297478.db2.gz YXSMOAMOUQXRDR-UHFFFAOYSA-N -1 3 340.379 2.626 20 30 EFEDHM Cc1ccnc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000791300367 1278021127 /nfs/dbraw/zinc/02/11/27/1278021127.db2.gz DCKSXSHIPFOLRG-UHFFFAOYSA-N -1 3 325.368 2.655 20 30 EFEDHM C=C[C@@H](C)ON=Cc1cc(I)c([O-])c(OC)c1 ZINC000844623561 1279128615 /nfs/dbraw/zinc/12/86/15/1279128615.db2.gz IDULZCLHXNIJOQ-MRVPVSSYSA-N -1 3 347.152 2.930 20 30 EFEDHM CC(=NN[C@@H](C)C(C)(C)C)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000793110695 1279381968 /nfs/dbraw/zinc/38/19/68/1279381968.db2.gz AEQWCKDQRWQEDS-HNNXBMFYSA-N -1 3 333.476 2.973 20 30 EFEDHM C=CCN1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144300152 1279390504 /nfs/dbraw/zinc/39/05/04/1279390504.db2.gz UZNDFNSGFQVRBW-UHFFFAOYSA-N -1 3 329.213 2.597 20 30 EFEDHM Cc1cc(Br)c([O-])c(CN=Nc2ncncc2F)c1 ZINC000793217224 1279447121 /nfs/dbraw/zinc/44/71/21/1279447121.db2.gz CJGCECBYGVBBIP-UHFFFAOYSA-N -1 3 325.141 2.838 20 30 EFEDHM C=CCN1C(=O)CCC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001144650835 1279952223 /nfs/dbraw/zinc/95/22/23/1279952223.db2.gz DEFSMDIYEAHOOG-UHFFFAOYSA-N -1 3 336.382 2.813 20 30 EFEDHM C#C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)cc1F ZINC000804419735 1280202597 /nfs/dbraw/zinc/20/25/97/1280202597.db2.gz VCZRAJBUFCCWKN-ZDUSSCGKSA-N -1 3 346.724 2.994 20 30 EFEDHM C#C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)cc1F ZINC000804419734 1280203401 /nfs/dbraw/zinc/20/34/01/1280203401.db2.gz VCZRAJBUFCCWKN-CYBMUJFWSA-N -1 3 346.724 2.994 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)C12CCC(C(=O)NO[C@H](C)C=C)(CC1)CC2 ZINC000846553693 1280246978 /nfs/dbraw/zinc/24/69/78/1280246978.db2.gz FUWBLEXTQYNOSW-JDPPGYRCSA-N -1 3 336.432 2.572 20 30 EFEDHM C=C(C)CO[N-]C(=O)CCCc1nc(-c2ccc(OC)cc2)no1 ZINC000846538047 1280251850 /nfs/dbraw/zinc/25/18/50/1280251850.db2.gz MRHMLXLPDTWSEF-UHFFFAOYSA-N -1 3 331.372 2.692 20 30 EFEDHM CCOc1cc(C=NNc2nccn2C)cc(Br)c1[O-] ZINC000790305210 1280569396 /nfs/dbraw/zinc/56/93/96/1280569396.db2.gz DZVIGMUHGMZKJA-UHFFFAOYSA-N -1 3 339.193 2.733 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnoc2CC)c(C)c1[O-] ZINC001147501307 1281187283 /nfs/dbraw/zinc/18/72/83/1281187283.db2.gz GHPPYMGVHMRYHJ-UHFFFAOYSA-N -1 3 343.339 2.552 20 30 EFEDHM Cc1nc(C#N)c([N-]C(=O)c2nc(Cl)ccc2Br)o1 ZINC001148017847 1281387990 /nfs/dbraw/zinc/38/79/90/1281387990.db2.gz IBRZFTFMLUJPBO-UHFFFAOYSA-N -1 3 341.552 2.918 20 30 EFEDHM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2C)c([N+](=O)[O-])cc1[O-] ZINC000807991279 1281485282 /nfs/dbraw/zinc/48/52/82/1281485282.db2.gz KNIDXQBSUVDZSX-UHFFFAOYSA-N -1 3 346.299 2.972 20 30 EFEDHM COc1cc(C=NN[C@@H]2CCSC2)cc(Br)c1[O-] ZINC000808000165 1281489383 /nfs/dbraw/zinc/48/93/83/1281489383.db2.gz GANQJRXFSTWHSK-SECBINFHSA-N -1 3 331.235 2.592 20 30 EFEDHM N#Cc1ccncc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000808405758 1281703476 /nfs/dbraw/zinc/70/34/76/1281703476.db2.gz MWEZJFHOLBANGP-UHFFFAOYSA-N -1 3 325.328 2.863 20 30 EFEDHM COc1cccc2c(C(=O)OCc3cc(F)ccc3C#N)n[n-]c21 ZINC000808675087 1281859399 /nfs/dbraw/zinc/85/93/99/1281859399.db2.gz VZJKFXBKGGSLAT-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM COc1cccc2c(C(=O)OCc3cc(F)ccc3C#N)[n-]nc21 ZINC000808675087 1281859407 /nfs/dbraw/zinc/85/94/07/1281859407.db2.gz VZJKFXBKGGSLAT-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM COc1cccc2c(C(=O)OCCOc3cccc(C#N)c3)n[n-]c21 ZINC000808675757 1281862172 /nfs/dbraw/zinc/86/21/72/1281862172.db2.gz RJJNFNDWVIUQKQ-UHFFFAOYSA-N -1 3 337.335 2.679 20 30 EFEDHM COc1cccc2c(C(=O)OCCOc3cccc(C#N)c3)[n-]nc21 ZINC000808675757 1281862175 /nfs/dbraw/zinc/86/21/75/1281862175.db2.gz RJJNFNDWVIUQKQ-UHFFFAOYSA-N -1 3 337.335 2.679 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Cl)nc2c(F)cc(F)cc12 ZINC001171365450 1282075252 /nfs/dbraw/zinc/07/52/52/1282075252.db2.gz WSXGZZJWPPEGHS-QTTZVWFDSA-N -1 3 327.718 2.814 20 30 EFEDHM Cc1nc(OCc2ccccc2)ccc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171366082 1282081930 /nfs/dbraw/zinc/08/19/30/1282081930.db2.gz RWQVXFPXRIKIAA-SJCJKPOMSA-N -1 3 327.384 2.617 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1c(Br)cc(F)c(F)c1F ZINC001171368542 1282167903 /nfs/dbraw/zinc/16/79/03/1282167903.db2.gz IPYGDEXQWWDQPR-IGJIYHIXSA-N -1 3 339.111 2.514 20 30 EFEDHM COc1c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)cccc1OCc1ccccc1 ZINC001171369693 1282170138 /nfs/dbraw/zinc/17/01/38/1282170138.db2.gz YSBZRPPTCCIKRN-GUYCJALGSA-N -1 3 342.395 2.922 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(OC(F)(F)F)c2ncccc12 ZINC001171369169 1282181215 /nfs/dbraw/zinc/18/12/15/1282181215.db2.gz QFUIHAGXECYZCW-UFBFGSQYSA-N -1 3 341.289 2.781 20 30 EFEDHM N#Cc1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000810072319 1282808182 /nfs/dbraw/zinc/80/81/82/1282808182.db2.gz STJRZSRLVLVAFG-LBPRGKRZSA-N -1 3 343.324 2.588 20 30 EFEDHM N#Cc1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000810072315 1282809475 /nfs/dbraw/zinc/80/94/75/1282809475.db2.gz STJRZSRLVLVAFG-GFCCVEGCSA-N -1 3 343.324 2.588 20 30 EFEDHM N#CCN1CC2(CCC2)[C@H]1C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001093356901 1283770412 /nfs/dbraw/zinc/77/04/12/1283770412.db2.gz XVQOOAWUBKGBJR-GOSISDBHSA-N -1 3 339.439 2.622 20 30 EFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1nnnn1C1CCCCC1 ZINC000811184392 1284093656 /nfs/dbraw/zinc/09/36/56/1284093656.db2.gz NPSPWGGXSHASBX-NSHDSACASA-N -1 3 341.371 2.674 20 30 EFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NC1CCC(C)CC1 ZINC000811186976 1284095533 /nfs/dbraw/zinc/09/55/33/1284095533.db2.gz FVSJVEPWVPOQQU-MQYJIDSJSA-N -1 3 330.384 2.504 20 30 EFEDHM CCOc1ccc(OCCOC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811186733 1284095726 /nfs/dbraw/zinc/09/57/26/1284095726.db2.gz WPWIFKZUQBUBRP-UHFFFAOYSA-N -1 3 327.336 2.898 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(CCc3ccccc3)no2)c1 ZINC000811187757 1284095941 /nfs/dbraw/zinc/09/59/41/1284095941.db2.gz XDRNGIDOOLINJF-UHFFFAOYSA-N -1 3 349.346 2.789 20 30 EFEDHM CC(C)(C)OC(=O)N1CCC[C@@H]1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186946 1284096269 /nfs/dbraw/zinc/09/62/69/1284096269.db2.gz FCQWXFLMZLTPBT-CQSZACIVSA-N -1 3 346.383 2.820 20 30 EFEDHM C[C@H](c1ccccc1)N(C)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188007 1284096848 /nfs/dbraw/zinc/09/68/48/1284096848.db2.gz SMJCZJITWJUAJV-CYBMUJFWSA-N -1 3 338.363 2.640 20 30 EFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N(C)C1CCCCC1 ZINC000811188705 1284097420 /nfs/dbraw/zinc/09/74/20/1284097420.db2.gz VIDDTSACIUSBBX-GFCCVEGCSA-N -1 3 330.384 2.600 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)c1 ZINC000811187276 1284097646 /nfs/dbraw/zinc/09/76/46/1284097646.db2.gz NJSSYACWTPSXMX-UHFFFAOYSA-N -1 3 337.335 2.566 20 30 EFEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000747713243 1284302218 /nfs/dbraw/zinc/30/22/18/1284302218.db2.gz QSPXZHYYQVSHOK-OAOMGELKSA-N -1 3 338.816 2.873 20 30 EFEDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000811831483 1284661940 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EFEDHM N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccc2[O-])C3)c1 ZINC001095180048 1286631557 /nfs/dbraw/zinc/63/15/57/1286631557.db2.gz LUCOTUORFCKDDB-NEWSRXKRSA-N -1 3 347.418 2.799 20 30 EFEDHM C#CCNC(=O)c1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000814638460 1286867049 /nfs/dbraw/zinc/86/70/49/1286867049.db2.gz QUBLFIYCQNITAE-UHFFFAOYSA-N -1 3 328.755 2.661 20 30 EFEDHM COC(=O)c1cnc(SCC[C@@](C#N)(C(C)=O)c2ccccc2)[n-]1 ZINC000871668117 1287199171 /nfs/dbraw/zinc/19/91/71/1287199171.db2.gz USOFXVIQUFOFMI-QGZVFWFLSA-N -1 3 343.408 2.729 20 30 EFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnnn2CC)cc1 ZINC000815909870 1287879630 /nfs/dbraw/zinc/87/96/30/1287879630.db2.gz KLOLEGHSRFQDTR-WFASDCNBSA-N -1 3 339.399 2.773 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(OC(F)F)c(F)c1 ZINC000815915258 1287906199 /nfs/dbraw/zinc/90/61/99/1287906199.db2.gz JBPWMIYDXYKMEI-JTQLQIEISA-N -1 3 349.268 2.783 20 30 EFEDHM O=C(CCc1ccc(-c2ccccc2F)o1)N[C@@H]1CCCN([O-])C1=O ZINC000816755671 1288263137 /nfs/dbraw/zinc/26/31/37/1288263137.db2.gz GMFNKFCUVJZJRV-OAHLLOKOSA-N -1 3 346.358 2.515 20 30 EFEDHM C[C@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000816754126 1288263289 /nfs/dbraw/zinc/26/32/89/1288263289.db2.gz XIANYKKOZUKHGI-MFKMUULPSA-N -1 3 344.333 2.695 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000816756573 1288265052 /nfs/dbraw/zinc/26/50/52/1288265052.db2.gz ZWARNEAPISUTGD-GFCCVEGCSA-N -1 3 334.372 2.664 20 30 EFEDHM CCCCCCCCCCS(=O)(=O)[N-][C@@H](CS)C(=O)OC ZINC001201838743 1297123367 /nfs/dbraw/zinc/12/33/67/1297123367.db2.gz NWTUCLKVNLGLSE-ZDUSSCGKSA-N -1 3 339.523 2.518 20 30 EFEDHM CCCCCCCCCCS(=O)(=O)NCCCc1c[n-][nH]c1=O ZINC001201838771 1297123491 /nfs/dbraw/zinc/12/34/91/1297123491.db2.gz PHYOSGSJUULKBI-OAHLLOKOSA-N -1 3 345.509 2.559 20 30 EFEDHM Cc1nc(-c2ccc(C)cc2)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000823161068 1289231833 /nfs/dbraw/zinc/23/18/33/1289231833.db2.gz NYACWGZXLRMHBD-ZDUSSCGKSA-N -1 3 345.424 2.537 20 30 EFEDHM C=CCN(Cc1cc(Cl)c(C)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000824604681 1289723807 /nfs/dbraw/zinc/72/38/07/1289723807.db2.gz BMZMENGDPRGEJP-ZDUSSCGKSA-N -1 3 329.849 2.529 20 30 EFEDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)Cc1ccc(F)c(C#N)c1 ZINC001181191559 1289734018 /nfs/dbraw/zinc/73/40/18/1289734018.db2.gz ZNVRZYQAAQLXRW-UHFFFAOYSA-N -1 3 346.289 2.510 20 30 EFEDHM CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001181235085 1289754909 /nfs/dbraw/zinc/75/49/09/1289754909.db2.gz VZNAGCKAEKSOHH-AWEZNQCLSA-N -1 3 347.415 2.999 20 30 EFEDHM CCOc1ccccc1N1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232673390 1312758125 /nfs/dbraw/zinc/75/81/25/1312758125.db2.gz FDQQUAFQQZMPDD-UHFFFAOYSA-N -1 3 337.423 2.985 20 30 EFEDHM CC(C)(C)OC(=O)NCC12CC(C1)CN2Cc1cc(C#N)ccc1[O-] ZINC001232675836 1312759098 /nfs/dbraw/zinc/75/90/98/1312759098.db2.gz VTRCERXWXDXLBT-UHFFFAOYSA-N -1 3 343.427 2.753 20 30 EFEDHM COc1ccc(N2CCN(Cc3cc(C#N)ccc3[O-])CC2)c(C)c1 ZINC001232677375 1312760155 /nfs/dbraw/zinc/76/01/55/1312760155.db2.gz BWTWESXXJBTCNW-UHFFFAOYSA-N -1 3 337.423 2.903 20 30 EFEDHM C=C[C@@H]1C[C@]1([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)OCC ZINC001182890765 1290270709 /nfs/dbraw/zinc/27/07/09/1290270709.db2.gz SYWYGGDWGDARRX-MEBBXXQBSA-N -1 3 327.302 2.542 20 30 EFEDHM C#C[C@@H](C)NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185937471 1290786626 /nfs/dbraw/zinc/78/66/26/1290786626.db2.gz URDACTQXMCPRCJ-OAHLLOKOSA-N -1 3 330.428 2.601 20 30 EFEDHM CCCCOC(=O)N[C@@H](C(=O)Nc1ccc([O-])c(C#N)c1)C1CC1 ZINC001186297473 1290930824 /nfs/dbraw/zinc/93/08/24/1290930824.db2.gz DUTAWXWBMQCUIK-OAHLLOKOSA-N -1 3 331.372 2.507 20 30 EFEDHM N#Cc1ccc([O-])c(Nc2cnn(CCO[C@@H]3CCCCO3)c2)c1 ZINC001212952766 1290978637 /nfs/dbraw/zinc/97/86/37/1290978637.db2.gz UFEBZGBTYVPTOQ-QGZVFWFLSA-N -1 3 328.372 2.747 20 30 EFEDHM C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233036562 1312839023 /nfs/dbraw/zinc/83/90/23/1312839023.db2.gz OOOGTBQQRMGGKK-SFHVURJKSA-N -1 3 349.862 2.974 20 30 EFEDHM Cc1cc([O-])c(CN2CCN(c3cnccc3C#N)CC2)cc1Cl ZINC000825975621 1291253260 /nfs/dbraw/zinc/25/32/60/1291253260.db2.gz RYZJXRLTBFHPPY-UHFFFAOYSA-N -1 3 342.830 2.943 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cnccc2C)c(C)c1[O-] ZINC001188232144 1291349342 /nfs/dbraw/zinc/34/93/42/1291349342.db2.gz CJZBHBGVNSBRDC-UHFFFAOYSA-N -1 3 339.351 2.705 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2c(C)c([O-])c(C(=O)OCC)cc2C#N)cc1 ZINC001188734585 1291455437 /nfs/dbraw/zinc/45/54/37/1291455437.db2.gz HBLIGCRQABXMLF-UHFFFAOYSA-N -1 3 348.358 2.983 20 30 EFEDHM Cc1nc(-c2ccc(NC(=O)N[C@H]3CCCN([O-])C3=O)cc2)cs1 ZINC000878092302 1291489627 /nfs/dbraw/zinc/48/96/27/1291489627.db2.gz QPNCQSJJFZFLQG-ZDUSSCGKSA-N -1 3 346.412 2.620 20 30 EFEDHM O=C(Nc1cccc(OC2CCCC2)c1)N[C@H]1CCCN([O-])C1=O ZINC000878161804 1291527521 /nfs/dbraw/zinc/52/75/21/1291527521.db2.gz CRVDJKZEUBTQAZ-HNNXBMFYSA-N -1 3 333.388 2.510 20 30 EFEDHM CCCn1ccc2cc(NC(=O)N[C@H]3CCCN([O-])C3=O)ccc21 ZINC000878612074 1291734380 /nfs/dbraw/zinc/73/43/80/1291734380.db2.gz GFNPJEYUENLMHP-AWEZNQCLSA-N -1 3 330.388 2.553 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cc(CC)on2)c(C)c1[O-] ZINC001190004001 1291964583 /nfs/dbraw/zinc/96/45/83/1291964583.db2.gz MOETZRIDAMGSHZ-UHFFFAOYSA-N -1 3 343.339 2.552 20 30 EFEDHM C=C(C)Cc1ccc(C(=O)Nc2ncc(Br)[n-]c2=O)cc1 ZINC001190233612 1292055770 /nfs/dbraw/zinc/05/57/70/1292055770.db2.gz YINSGVGBODTJAP-UHFFFAOYSA-N -1 3 348.200 2.903 20 30 EFEDHM C=C(C)Cc1ccc(C(=O)Nc2n[n-]c(SC)c2C(N)=O)cc1 ZINC001190217769 1292073686 /nfs/dbraw/zinc/07/36/86/1292073686.db2.gz VVYJWRWHGYCGKE-UHFFFAOYSA-N -1 3 330.413 2.601 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c1 ZINC001190661173 1292249486 /nfs/dbraw/zinc/24/94/86/1292249486.db2.gz MUJNFINRYFUTCR-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM Cc1ccccc1OC[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190666100 1292252269 /nfs/dbraw/zinc/25/22/69/1292252269.db2.gz VHOXIPABCMJINU-ZDUSSCGKSA-N -1 3 348.399 2.752 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCc3c2cccc3F)c1 ZINC001190669284 1292254578 /nfs/dbraw/zinc/25/45/78/1292254578.db2.gz LQRAKMBIWQOSMV-HNNXBMFYSA-N -1 3 334.347 2.802 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c1 ZINC001190670482 1292254887 /nfs/dbraw/zinc/25/48/87/1292254887.db2.gz LCZCVOVXYOODNU-MRXNPFEDSA-N -1 3 331.372 2.522 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC001190669414 1292255020 /nfs/dbraw/zinc/25/50/20/1292255020.db2.gz QLAJKKCOEALCFQ-UKRRQHHQSA-N -1 3 334.347 2.671 20 30 EFEDHM N#Cc1ccc(CN2CCN(c3noc4ccccc43)CC2)c([O-])c1 ZINC001233383694 1312918231 /nfs/dbraw/zinc/91/82/31/1312918231.db2.gz RMXULDVZYIUONW-UHFFFAOYSA-N -1 3 334.379 2.727 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cnc3cc(C(C)(C)C)nn3c2)CC1 ZINC001190776808 1292309894 /nfs/dbraw/zinc/30/98/94/1292309894.db2.gz NQYIGJSKXQDIAZ-UHFFFAOYSA-N -1 3 334.445 2.877 20 30 EFEDHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2[O-])C1 ZINC001233383234 1312917493 /nfs/dbraw/zinc/91/74/93/1312917493.db2.gz BDNHTJFMXRJPDC-HNNXBMFYSA-N -1 3 331.416 2.753 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-][C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 ZINC001190822492 1292330038 /nfs/dbraw/zinc/33/00/38/1292330038.db2.gz XWZOZGOXWWZPGF-CYBMUJFWSA-N -1 3 343.832 2.582 20 30 EFEDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C#N)cc1[O-] ZINC001233384425 1312918728 /nfs/dbraw/zinc/91/87/28/1312918728.db2.gz VSIFQZULAJTQSY-ZDUSSCGKSA-N -1 3 331.416 2.705 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1[O-] ZINC001233383955 1312919112 /nfs/dbraw/zinc/91/91/12/1312919112.db2.gz BNDMGWBVJGTVJH-IYBDPMFKSA-N -1 3 343.427 2.848 20 30 EFEDHM N#Cc1ccc(CN2CCN(c3ccc(F)cc3F)CC2)c([O-])c1 ZINC001233386457 1312920154 /nfs/dbraw/zinc/92/01/54/1312920154.db2.gz UTMJMWKWYFHZIX-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM N#Cc1ccc(CN2CCCn3cnc(Cn4cccc4)c3C2)c([O-])c1 ZINC001233385772 1312920203 /nfs/dbraw/zinc/92/02/03/1312920203.db2.gz SWOJNEUVDOYOAJ-UHFFFAOYSA-N -1 3 347.422 2.716 20 30 EFEDHM CSc1cc(Cl)ccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000880072560 1292356872 /nfs/dbraw/zinc/35/68/72/1292356872.db2.gz XZVNFOXTLFYSRG-SNVBAGLBSA-N -1 3 329.809 2.564 20 30 EFEDHM CSc1ccc(Cl)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000880075080 1292358368 /nfs/dbraw/zinc/35/83/68/1292358368.db2.gz GDWGDMJFMBAHQS-SNVBAGLBSA-N -1 3 329.809 2.564 20 30 EFEDHM C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233395261 1312923009 /nfs/dbraw/zinc/92/30/09/1312923009.db2.gz RDHWCAPJYBFVOL-SCLBCKFNSA-N -1 3 339.382 2.997 20 30 EFEDHM CCCCCCCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001191101447 1292465786 /nfs/dbraw/zinc/46/57/86/1292465786.db2.gz MPPXAOLBEMPACD-UHFFFAOYSA-N -1 3 347.459 2.830 20 30 EFEDHM CCOC(=O)CN(CCC#N)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455509 1312936350 /nfs/dbraw/zinc/93/63/50/1312936350.db2.gz NXUSOPOUQLNKBA-UHFFFAOYSA-N -1 3 330.306 2.690 20 30 EFEDHM Cc1nc(C(=O)[N-]c2ccc(C#N)cc2C#N)c(Br)o1 ZINC001191629145 1292586025 /nfs/dbraw/zinc/58/60/25/1292586025.db2.gz OJDYKXGMVUXETD-UHFFFAOYSA-N -1 3 331.129 2.741 20 30 EFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)cc1F ZINC000903615034 1312944245 /nfs/dbraw/zinc/94/42/45/1312944245.db2.gz PLQAMIJEUZFUPV-ZDUSSCGKSA-N -1 3 344.383 2.724 20 30 EFEDHM Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000880973657 1292705125 /nfs/dbraw/zinc/70/51/25/1292705125.db2.gz GLYKLDGQFFQRNZ-LLVKDONJSA-N -1 3 345.321 2.824 20 30 EFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)cc1F ZINC000903619579 1312953853 /nfs/dbraw/zinc/95/38/53/1312953853.db2.gz HROOPNUGXKRHMH-BONVTDFDSA-N -1 3 344.383 2.724 20 30 EFEDHM N#Cc1cccc2[nH]nc([N-]C(=O)c3nc(Cc4ccccc4)no3)c21 ZINC001192265646 1292850205 /nfs/dbraw/zinc/85/02/05/1292850205.db2.gz GHUOAQVKQBILHG-UHFFFAOYSA-N -1 3 344.334 2.661 20 30 EFEDHM N#Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])o1 ZINC001192683308 1292985968 /nfs/dbraw/zinc/98/59/68/1292985968.db2.gz HVWZZAXUMFODLF-UHFFFAOYSA-N -1 3 327.727 2.988 20 30 EFEDHM CN1Cc2c([N-]S(=O)(=O)CC#N)cccc2[C@@H](c2ccccc2)C1 ZINC001192982170 1293115998 /nfs/dbraw/zinc/11/59/98/1293115998.db2.gz HLDDNFGWSUPPBF-MRXNPFEDSA-N -1 3 341.436 2.529 20 30 EFEDHM Cc1ccc([N-]S(=O)(=O)CC#N)cc1NC(=O)OC(C)(C)C ZINC001192988963 1293119779 /nfs/dbraw/zinc/11/97/79/1293119779.db2.gz VWQSHSTXUPWDIL-UHFFFAOYSA-N -1 3 325.390 2.607 20 30 EFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)c(F)cc1Br ZINC001193097673 1293167265 /nfs/dbraw/zinc/16/72/65/1293167265.db2.gz NULMPJOBILQUOC-RXMQYKEDSA-N -1 3 341.589 2.895 20 30 EFEDHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)[C@H](C)C#N)c1 ZINC001193146735 1293186174 /nfs/dbraw/zinc/18/61/74/1293186174.db2.gz RYTPAILZRKSERD-CYBMUJFWSA-N -1 3 332.429 2.709 20 30 EFEDHM N#CCN(Cc1ccccc1)C(=O)c1ccc(Br)c(=O)[n-]1 ZINC001193150834 1293187247 /nfs/dbraw/zinc/18/72/47/1293187247.db2.gz QGJPHGUJAUNXDG-UHFFFAOYSA-N -1 3 346.184 2.716 20 30 EFEDHM N#Cc1c(Cl)ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1Cl ZINC001193281487 1293234411 /nfs/dbraw/zinc/23/44/11/1293234411.db2.gz XSFWDGVPLCLVOX-QMMMGPOBSA-N -1 3 335.212 2.786 20 30 EFEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1nccc(OC)c1[O-] ZINC001193539557 1293331398 /nfs/dbraw/zinc/33/13/98/1293331398.db2.gz SXSYOVQHXCLCSP-GFCCVEGCSA-N -1 3 328.368 2.852 20 30 EFEDHM N#Cc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)ccc1[O-] ZINC001193511162 1293338289 /nfs/dbraw/zinc/33/82/89/1293338289.db2.gz ADUUVEIDUDLWMU-GOSISDBHSA-N -1 3 335.407 2.831 20 30 EFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCN(c2ccnc(Cl)n2)C1 ZINC001233803849 1312996663 /nfs/dbraw/zinc/99/66/63/1312996663.db2.gz SUPWHFFLWLYBGJ-DKSCHZSNSA-N -1 3 348.790 2.604 20 30 EFEDHM C=C[C@@H]1C[C@]1(NC(=O)c1ccc([O-])cc1C(F)(F)F)C(=O)OCC ZINC001193758080 1293438324 /nfs/dbraw/zinc/43/83/24/1293438324.db2.gz KUTWBDRINAHPNK-RFAUZJTJSA-N -1 3 343.301 2.649 20 30 EFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c([O-])cc1F ZINC001273679194 1293664681 /nfs/dbraw/zinc/66/46/81/1293664681.db2.gz IDMHCBSREMMONX-HZPDHXFCSA-N -1 3 336.382 2.812 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)s1 ZINC001194585727 1293673778 /nfs/dbraw/zinc/67/37/78/1293673778.db2.gz QORJXHQAMRZTMP-UHFFFAOYSA-N -1 3 347.343 2.512 20 30 EFEDHM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2cccc(F)c2C#N)c1 ZINC000800153779 1293933708 /nfs/dbraw/zinc/93/37/08/1293933708.db2.gz ZWVULBYUVLKWGM-UHFFFAOYSA-N -1 3 339.779 2.533 20 30 EFEDHM N#Cc1cc(NS(=O)(=O)c2ccc([O-])cc2)ccc1N1CCCC1 ZINC001195802489 1294040654 /nfs/dbraw/zinc/04/06/54/1294040654.db2.gz DXATYRNLJCWSMO-UHFFFAOYSA-N -1 3 343.408 2.665 20 30 EFEDHM CCCCCCCCOC(=O)CNS(=O)(=O)c1ccc([O-])cc1 ZINC001195829117 1294052869 /nfs/dbraw/zinc/05/28/69/1294052869.db2.gz OIJDWCOTWOZBIV-UHFFFAOYSA-N -1 3 343.445 2.574 20 30 EFEDHM COC(=O)c1cc([O-])cc(NC(=S)Nc2ccccc2C#N)c1 ZINC001196325623 1294197373 /nfs/dbraw/zinc/19/73/73/1294197373.db2.gz OEINUVVOAYWIBA-UHFFFAOYSA-N -1 3 327.365 2.859 20 30 EFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1ccc(C(=O)[O-])s1)CC2 ZINC001273718501 1294202063 /nfs/dbraw/zinc/20/20/63/1294202063.db2.gz FLODWCISCLGEJU-CQSZACIVSA-N -1 3 348.468 2.741 20 30 EFEDHM N#Cc1cccnc1C(=O)[N-]c1c(C#N)cnnc1-c1ccccc1 ZINC001196552047 1294285592 /nfs/dbraw/zinc/28/55/92/1294285592.db2.gz TXJFVOANODOVAJ-UHFFFAOYSA-N -1 3 326.319 2.534 20 30 EFEDHM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1cc([O-])cc(C#N)c1 ZINC001234141648 1313067063 /nfs/dbraw/zinc/06/70/63/1313067063.db2.gz PWYSJNZYPSOSAU-INIZCTEOSA-N -1 3 325.368 2.605 20 30 EFEDHM CC(C)(C)OC(=O)N1CCCO[C@@H](COc2cc([O-])cc(C#N)c2)C1 ZINC001234143189 1313067328 /nfs/dbraw/zinc/06/73/28/1313067328.db2.gz APZFJSLECNSZMB-MRXNPFEDSA-N -1 3 348.399 2.669 20 30 EFEDHM N#Cc1cc([O-])cc(OC[C@H]2CN(c3cccc(F)c3)C(=O)O2)c1 ZINC001234143000 1313067383 /nfs/dbraw/zinc/06/73/83/1313067383.db2.gz ZDBCLCTXACBLNT-MRXNPFEDSA-N -1 3 328.299 2.807 20 30 EFEDHM C[C@H](Oc1cc([O-])cc(C#N)c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001234144838 1313068861 /nfs/dbraw/zinc/06/88/61/1313068861.db2.gz WEMOJTVJLPIZRD-YWZLYKJASA-N -1 3 338.407 2.932 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000959222148 1295075883 /nfs/dbraw/zinc/07/58/83/1295075883.db2.gz VGABHGQTGOZWJN-UONOGXRCSA-N -1 3 330.428 2.571 20 30 EFEDHM N#Cc1ccnc(N2CCC(Oc3nc4c(cccc4[O-])[nH]3)CC2)c1 ZINC001234446804 1313130805 /nfs/dbraw/zinc/13/08/05/1313130805.db2.gz IXKZAAIDUNGLOE-UHFFFAOYSA-N -1 3 335.367 2.583 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3c(cccc3[O-])[nH]2)C[C@H]1C#N ZINC001234445697 1313130887 /nfs/dbraw/zinc/13/08/87/1313130887.db2.gz BHYQTHUMIWATNK-WDEREUQCSA-N -1 3 344.371 2.549 20 30 EFEDHM CC(C)(C)OC([O-])=NC(=O)[C@@H]1CCCN1Cc1ccccc1C#N ZINC001204373014 1313132195 /nfs/dbraw/zinc/13/21/95/1313132195.db2.gz MKKOFGCVQPEVBK-HNNXBMFYSA-N -1 3 329.400 2.574 20 30 EFEDHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccccc1C#N ZINC001204373014 1313132199 /nfs/dbraw/zinc/13/21/99/1313132199.db2.gz MKKOFGCVQPEVBK-HNNXBMFYSA-N -1 3 329.400 2.574 20 30 EFEDHM COc1nc(Cl)ccc1S(=O)(=O)[N-]C1(C#N)CCCCCC1 ZINC001198710435 1295219804 /nfs/dbraw/zinc/21/98/04/1295219804.db2.gz RHBLRLKWJULZTK-UHFFFAOYSA-N -1 3 343.836 2.638 20 30 EFEDHM Cc1c(Cl)onc1C(=O)[N-]c1ncc(C#N)cc1Br ZINC001199670701 1295664467 /nfs/dbraw/zinc/66/44/67/1295664467.db2.gz QUZYGVHKTPGUAP-UHFFFAOYSA-N -1 3 341.552 2.918 20 30 EFEDHM N#Cc1cc(NC(=S)Nc2ccc3c(c2)OCCO3)ccc1[O-] ZINC001199725728 1295707250 /nfs/dbraw/zinc/70/72/50/1295707250.db2.gz XGZHWMYLBCWQJI-UHFFFAOYSA-N -1 3 327.365 2.844 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000416338253 1295753512 /nfs/dbraw/zinc/75/35/12/1295753512.db2.gz CNWLNWRSFMPISJ-HNNXBMFYSA-N -1 3 336.347 2.800 20 30 EFEDHM N#CC1CC(Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234748288 1313188539 /nfs/dbraw/zinc/18/85/39/1313188539.db2.gz IHJHIYOUDVPWIF-UHFFFAOYSA-N -1 3 339.303 2.744 20 30 EFEDHM Cc1ccc(S(=O)(=O)Nc2cc(=O)[n-]n2C2CCCC2)cc1C#N ZINC001201292595 1296684151 /nfs/dbraw/zinc/68/41/51/1296684151.db2.gz FWSOLTNEZXLVOT-UHFFFAOYSA-N -1 3 346.412 2.685 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccnc(N3CCCC3)c2)cc1C#N ZINC001201295414 1296708297 /nfs/dbraw/zinc/70/82/97/1296708297.db2.gz QBZZFPKIFCOQER-UHFFFAOYSA-N -1 3 342.424 2.663 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]c2cnnc(Cl)c2Cl)cc1C#N ZINC001201295426 1296708473 /nfs/dbraw/zinc/70/84/73/1296708473.db2.gz RHMWDDXEHSSZDP-UHFFFAOYSA-N -1 3 343.195 2.764 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCc2ccc(F)cc21 ZINC000776180027 1296784725 /nfs/dbraw/zinc/78/47/25/1296784725.db2.gz JJBCUSDMNILYDH-UHFFFAOYSA-N -1 3 332.400 2.986 20 30 EFEDHM N#Cc1cc(C(F)(F)F)ccc1Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001201691686 1297038865 /nfs/dbraw/zinc/03/88/65/1297038865.db2.gz NUKMCHFCWDIYKM-UHFFFAOYSA-N -1 3 325.206 2.920 20 30 EFEDHM CC(C)(S)C[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201792908 1297079841 /nfs/dbraw/zinc/07/98/41/1297079841.db2.gz VEUTVGZKBTVFTQ-UHFFFAOYSA-N -1 3 342.255 2.575 20 30 EFEDHM N#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2[O-])cc1 ZINC001017367637 1313344535 /nfs/dbraw/zinc/34/45/35/1313344535.db2.gz TZUJLGBBBCNFRI-HDICACEKSA-N -1 3 347.418 2.753 20 30 EFEDHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2C#N)n1 ZINC000867412941 1297161203 /nfs/dbraw/zinc/16/12/03/1297161203.db2.gz QQOIQNLPNMMYJM-VIFPVBQESA-N -1 3 339.417 2.756 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867415980 1297179716 /nfs/dbraw/zinc/17/97/16/1297179716.db2.gz MVQWJXRVBLJLJT-CYBMUJFWSA-N -1 3 349.362 2.587 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(-c3ccsc3)no2)c1 ZINC000776274158 1297338649 /nfs/dbraw/zinc/33/86/49/1297338649.db2.gz MMPZAFQTBGDDMS-UHFFFAOYSA-N -1 3 327.321 2.732 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc2ncccc21 ZINC000192620847 1298370045 /nfs/dbraw/zinc/37/00/45/1298370045.db2.gz FOXXMKKLUXVKPO-UHFFFAOYSA-N -1 3 347.374 2.950 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000108250544 1298493835 /nfs/dbraw/zinc/49/38/35/1298493835.db2.gz OULQPTHIDFLASI-UHFFFAOYSA-N -1 3 331.393 2.816 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1ccccc1F ZINC000108626787 1298760727 /nfs/dbraw/zinc/76/07/27/1298760727.db2.gz LFSNQPASIRWDSV-UHFFFAOYSA-N -1 3 342.370 2.721 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852060384 1299532612 /nfs/dbraw/zinc/53/26/12/1299532612.db2.gz DTLKNSLVKJNDCL-TZMCWYRMSA-N -1 3 325.334 2.642 20 30 EFEDHM C#CCCN(CCOC)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000852749444 1299858006 /nfs/dbraw/zinc/85/80/06/1299858006.db2.gz YHNHGKFMIVEBOP-UHFFFAOYSA-N -1 3 335.787 2.624 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2cc(COC(C)(C)C)on2)c1[O-] ZINC000776721611 1300480308 /nfs/dbraw/zinc/48/03/08/1300480308.db2.gz IDHLITNRWFBAMY-QGMBQPNBSA-N -1 3 333.388 2.510 20 30 EFEDHM COc1ccc(CC(=O)[N-]OCc2ccc(C#N)cc2C)cc1OC ZINC000776746723 1300610034 /nfs/dbraw/zinc/61/00/34/1300610034.db2.gz XJBRAWPBNPRHRO-UHFFFAOYSA-N -1 3 340.379 2.674 20 30 EFEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nnc(C3CCOCC3)s2)c1 ZINC000854668367 1300655325 /nfs/dbraw/zinc/65/53/25/1300655325.db2.gz UJQFTRIHDOBJMP-UHFFFAOYSA-N -1 3 332.360 2.695 20 30 EFEDHM C=CCCO[N-]C(=O)CCSCc1nc2ccccc2c(=O)[nH]1 ZINC000856032297 1301211248 /nfs/dbraw/zinc/21/12/48/1301211248.db2.gz LPBNECRIKWTTNV-UHFFFAOYSA-N -1 3 333.413 2.583 20 30 EFEDHM C=C(C)C[C@@H](NCc1cccc(Cl)c1S(=O)(=O)CC)C(=O)[O-] ZINC001331845515 1330880178 /nfs/dbraw/zinc/88/01/78/1330880178.db2.gz KIRNLIAZCOCZIW-CYBMUJFWSA-N -1 3 345.848 2.643 20 30 EFEDHM CCCCCCC[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000859247011 1301408993 /nfs/dbraw/zinc/40/89/93/1301408993.db2.gz MKWJTVYMEPYIFI-UHFFFAOYSA-N -1 3 330.381 2.509 20 30 EFEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000862432890 1302382455 /nfs/dbraw/zinc/38/24/55/1302382455.db2.gz QGYJHHCOSGFTER-CYBMUJFWSA-N -1 3 326.400 2.806 20 30 EFEDHM C=C(Cl)C[C@@H](NCc1cc2c(cc1OC(F)F)OCO2)C(=O)[O-] ZINC000864519455 1302957723 /nfs/dbraw/zinc/95/77/23/1302957723.db2.gz PHOVCVVCNINGAJ-SECBINFHSA-N -1 3 349.717 2.702 20 30 EFEDHM C[C@H]1CCN(Cc2ccccc2C#N)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000965270302 1303096724 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CCn1cc(-c2ccc(-c3nn[n-]n3)cc2)c2sc(C#N)cc2c1=O ZINC001241446808 1314120608 /nfs/dbraw/zinc/12/06/08/1314120608.db2.gz SHPFZWVQELLBPG-UHFFFAOYSA-N -1 3 348.391 2.802 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCc2ccc(F)cc21 ZINC000748788550 1314129602 /nfs/dbraw/zinc/12/96/02/1314129602.db2.gz HBTCPVKUMAEAIK-UHFFFAOYSA-N -1 3 332.400 2.638 20 30 EFEDHM N#Cc1ccc(CN2CCC[C@H](NC(=O)c3ccccc3[O-])C2)cc1 ZINC001006776656 1307102115 /nfs/dbraw/zinc/10/21/15/1307102115.db2.gz DDIMGZFPLAUDKA-KRWDZBQOSA-N -1 3 335.407 2.658 20 30 EFEDHM CC(C)(C)C#CC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001260380666 1316336072 /nfs/dbraw/zinc/33/60/72/1316336072.db2.gz SLIWPPAGISCADY-UHFFFAOYSA-N -1 3 348.237 2.916 20 30 EFEDHM N#Cc1ccc(COC(=O)c2cc(F)cc3[n-]nnc32)c(Cl)c1 ZINC000800258431 1307632467 /nfs/dbraw/zinc/63/24/67/1307632467.db2.gz WMBRLGVECKXUQW-UHFFFAOYSA-N -1 3 330.706 2.979 20 30 EFEDHM N#Cc1ccc(COC(=O)c2cc(F)cc3nn[n-]c32)c(Cl)c1 ZINC000800258431 1307632473 /nfs/dbraw/zinc/63/24/73/1307632473.db2.gz 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EFEDHM O=C(CCCNC(=O)c1ccsc1)N([O-])Cc1ccc(F)cc1 ZINC000901375141 1310263600 /nfs/dbraw/zinc/26/36/00/1310263600.db2.gz DKSLNGCISDUOCV-UHFFFAOYSA-N -1 3 336.388 2.815 20 30 EFEDHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901374825 1310263630 /nfs/dbraw/zinc/26/36/30/1310263630.db2.gz SSRAUVDKCMNGLB-DZGCQCFKSA-N -1 3 336.407 2.828 20 30 EFEDHM CC(C)(C)OC(=O)NCCCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901376280 1310268008 /nfs/dbraw/zinc/26/80/08/1310268008.db2.gz SCKKWNHLXGCPSV-UHFFFAOYSA-N -1 3 326.368 2.848 20 30 EFEDHM O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901378783 1310275412 /nfs/dbraw/zinc/27/54/12/1310275412.db2.gz KSOCPKMBMTVBEU-MRXNPFEDSA-N -1 3 342.370 2.592 20 30 EFEDHM C#CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC000901529915 1310616073 /nfs/dbraw/zinc/61/60/73/1310616073.db2.gz LVFJPWNPQSABSV-IBGZPJMESA-N -1 3 337.375 2.549 20 30 EFEDHM C=CCN(CC(=O)[O-])Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000901585946 1310705119 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EFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000903108905 1312363885 /nfs/dbraw/zinc/36/38/85/1312363885.db2.gz WTIGJYNHEAFBIC-UTUOFQBUSA-N -1 3 339.288 2.962 20 30 EFEDHM [O-]N=C(Nc1ccc2nccnc2n1)c1ccc(OC(F)(F)F)cc1 ZINC001163765363 1312380785 /nfs/dbraw/zinc/38/07/85/1312380785.db2.gz QOPMJYGEHWSMEJ-UHFFFAOYSA-N -1 3 349.272 2.545 20 30 EFEDHM Cn1cc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc(F)c1=O ZINC001163770935 1312381421 /nfs/dbraw/zinc/38/14/21/1312381421.db2.gz UCKIXCJFNYTIIP-UHFFFAOYSA-N -1 3 345.252 2.671 20 30 EFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000903130436 1312387682 /nfs/dbraw/zinc/38/76/82/1312387682.db2.gz WTSKCKVNODDINU-GFCCVEGCSA-N -1 3 347.209 2.559 20 30 EFEDHM C[Si](C)(C)C#Cc1cc(Cl)cnc1NCCCc1c[n-][nH]c1=O ZINC001164373093 1312503011 /nfs/dbraw/zinc/50/30/11/1312503011.db2.gz ZXHWEKHUINKAMB-ZDUSSCGKSA-N -1 3 348.910 2.888 20 30 EFEDHM N#Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)ccc1OC1CCOCC1 ZINC001245306604 1314467099 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Cc1cc(N2CCOCC2)cc2nc(-c3ccc(C#N)cc3[O-])[nH]c21 ZINC001251332444 1315341359 /nfs/dbraw/zinc/34/13/59/1315341359.db2.gz WGUYMPHFKCYZSU-UHFFFAOYSA-N -1 3 334.379 2.952 20 30 EFEDHM Cc1cc(N2CCOCC2)cc2[nH]c(-c3ccc(C#N)cc3[O-])nc21 ZINC001251332444 1315341361 /nfs/dbraw/zinc/34/13/61/1315341361.db2.gz WGUYMPHFKCYZSU-UHFFFAOYSA-N -1 3 334.379 2.952 20 30 EFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC001251381062 1315344396 /nfs/dbraw/zinc/34/43/96/1315344396.db2.gz QUNCKDQLBWKMKV-UHFFFAOYSA-N -1 3 331.180 2.937 20 30 EFEDHM C=C(Cl)CN1CC[C@@H]([C@@H]2CCCCN2C(=O)c2ncccc2[O-])C1 ZINC001039198623 1315608729 /nfs/dbraw/zinc/60/87/29/1315608729.db2.gz KFKIWXPDKOOUIX-CABCVRRESA-N -1 3 349.862 2.856 20 30 EFEDHM N#Cc1cnc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC001254334562 1315695565 /nfs/dbraw/zinc/69/55/65/1315695565.db2.gz QAGCRVHIOCOAHC-UHFFFAOYSA-N -1 3 347.343 2.512 20 30 EFEDHM C=CCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001051453569 1315865960 /nfs/dbraw/zinc/86/59/60/1315865960.db2.gz OXEDBUMRXMSIEF-CABCVRRESA-N -1 3 330.428 2.715 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)o1 ZINC001256680835 1315981146 /nfs/dbraw/zinc/98/11/46/1315981146.db2.gz UBICATIEMGQFAF-UHFFFAOYSA-N -1 3 330.287 2.649 20 30 EFEDHM COC(=O)c1c(C)ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1F ZINC001258136304 1316123998 /nfs/dbraw/zinc/12/39/98/1316123998.db2.gz TXFQZDARRDKUPK-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM CC(C)C[C@@](C)(C#N)[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC001258979677 1316198662 /nfs/dbraw/zinc/19/86/62/1316198662.db2.gz UBZONPIELLVRMS-JQFCIGGWSA-N -1 3 340.489 2.630 20 30 EFEDHM N#Cc1ccc(C2([N-]S(=O)(=O)c3c(F)cccc3F)CC2)cc1 ZINC001259071839 1316204541 /nfs/dbraw/zinc/20/45/41/1316204541.db2.gz NJQIUGIKDCALQQ-UHFFFAOYSA-N -1 3 334.347 2.804 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c[nH]c2=O)c(Cl)c1 ZINC001259107082 1316210225 /nfs/dbraw/zinc/21/02/25/1316210225.db2.gz CJJXIHYBZWYPHX-UHFFFAOYSA-N -1 3 344.179 2.766 20 30 EFEDHM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259355991 1316232283 /nfs/dbraw/zinc/23/22/83/1316232283.db2.gz LHROZLIFIRYHQL-UHFFFAOYSA-N -1 3 328.393 2.911 20 30 EFEDHM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259371176 1316234479 /nfs/dbraw/zinc/23/44/79/1316234479.db2.gz ZVSPWEOIQRTTLH-UHFFFAOYSA-N -1 3 338.392 2.739 20 30 EFEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)nc(F)c2Cl)ccc1F ZINC001259413065 1316239765 /nfs/dbraw/zinc/23/97/65/1316239765.db2.gz ZRWOAJSBUIQOCY-UHFFFAOYSA-N -1 3 347.705 2.825 20 30 EFEDHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1 ZINC001259417859 1316240224 /nfs/dbraw/zinc/24/02/24/1316240224.db2.gz TXUGLQWQNVWLOK-UHFFFAOYSA-N -1 3 336.319 2.840 20 30 EFEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)CCc2ccccc2)c1F ZINC001259739044 1316270359 /nfs/dbraw/zinc/27/03/59/1316270359.db2.gz ILCPNXVVLRHXLH-UHFFFAOYSA-N -1 3 340.326 2.960 20 30 EFEDHM N#Cc1ncc([N-]S(=O)(=O)CCc2cccc(F)c2)cc1Cl ZINC001259767986 1316275457 /nfs/dbraw/zinc/27/54/57/1316275457.db2.gz SFWLFQJCAZQJHX-UHFFFAOYSA-N -1 3 339.779 2.730 20 30 EFEDHM C=CCS(=O)(=O)[N-][C@]1(c2ccccc2Cl)CCCCC1=O ZINC001259934326 1316299597 /nfs/dbraw/zinc/29/95/97/1316299597.db2.gz NBYJDURGHVQCCY-HNNXBMFYSA-N -1 3 327.833 2.784 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)Nc2cc(=O)[n-]n2C2CCCC2)cc1 ZINC001260038161 1316309626 /nfs/dbraw/zinc/30/96/26/1316309626.db2.gz QAKMCPNWTSBIMB-UHFFFAOYSA-N -1 3 346.412 2.517 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cccc(Cl)c2CO)cc1 ZINC001260044694 1316310505 /nfs/dbraw/zinc/31/05/05/1316310505.db2.gz HFBVSYWWUIZWOD-UHFFFAOYSA-N -1 3 336.800 2.646 20 30 EFEDHM Cc1nc2ccc([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cc2o1 ZINC001260044112 1316310607 /nfs/dbraw/zinc/31/06/07/1316310607.db2.gz CNGKGTVEPUMUHK-UHFFFAOYSA-N -1 3 327.365 2.950 20 30 EFEDHM COc1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(C(C)=O)c1 ZINC001260045915 1316311026 /nfs/dbraw/zinc/31/10/26/1316311026.db2.gz TXDBFFQVPLVJAU-UHFFFAOYSA-N -1 3 344.392 2.711 20 30 EFEDHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC001260045264 1316311040 /nfs/dbraw/zinc/31/10/40/1316311040.db2.gz JQRFDYKVXDMCMC-UHFFFAOYSA-N -1 3 348.355 2.565 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)cc1C ZINC001260638181 1316351965 /nfs/dbraw/zinc/35/19/65/1316351965.db2.gz SGLXQMCZGFXYCI-UHFFFAOYSA-N -1 3 338.335 2.954 20 30 EFEDHM C=CCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001073338645 1316449644 /nfs/dbraw/zinc/44/96/44/1316449644.db2.gz LGKXNRSYTOROPX-INIZCTEOSA-N -1 3 330.428 2.715 20 30 EFEDHM C=C(C)CCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001073996325 1316487027 /nfs/dbraw/zinc/48/70/27/1316487027.db2.gz JLQJDFOAVPETFP-HOCLYGCPSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001074164734 1316504072 /nfs/dbraw/zinc/50/40/72/1316504072.db2.gz JBOUJUPRRLQSPL-GOEBONIOSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](CC(C)(C)C)C1 ZINC001262957051 1316508558 /nfs/dbraw/zinc/50/85/58/1316508558.db2.gz HLFWEATWGRZYRZ-CYBMUJFWSA-N -1 3 342.447 2.889 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC)[C@@H](C)CC ZINC001263286122 1316526716 /nfs/dbraw/zinc/52/67/16/1316526716.db2.gz WQQGEDMYKPPWMM-LBPRGKRZSA-N -1 3 330.436 2.950 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001263323636 1316530677 /nfs/dbraw/zinc/53/06/77/1316530677.db2.gz VOMPYHARRIMWKG-WDEREUQCSA-N -1 3 335.433 2.545 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](c2ccco2)C1 ZINC001263323594 1316530773 /nfs/dbraw/zinc/53/07/73/1316530773.db2.gz USIZDRIUEXNHPV-LBPRGKRZSA-N -1 3 341.371 2.802 20 30 EFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC001321018619 1329332003 /nfs/dbraw/zinc/33/20/03/1329332003.db2.gz DSVZPYOFLXKWDS-LBPRGKRZSA-N -1 3 349.225 2.556 20 30 EFEDHM COC(=O)C[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccc(C)cc1 ZINC001317817859 1328397955 /nfs/dbraw/zinc/39/79/55/1328397955.db2.gz BAWGNVJWVJTSBN-SOFYTKRASA-N -1 3 342.395 2.620 20 30 EFEDHM Cc1cc(=O)[n-]c(CSCCC(=O)Nc2cccc(C#N)c2)n1 ZINC001322604113 1329471376 /nfs/dbraw/zinc/47/13/76/1329471376.db2.gz GJNNOUWGYKDMTF-UHFFFAOYSA-N -1 3 328.397 2.624 20 30 EFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1cccn1C1CC1)[n-]c2=O ZINC001324551360 1329638940 /nfs/dbraw/zinc/63/89/40/1329638940.db2.gz PQZCZMKSMUMTHK-UHFFFAOYSA-N -1 3 339.403 2.869 20 30 EFEDHM C=CC[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OCC ZINC001324926927 1329660133 /nfs/dbraw/zinc/66/01/33/1329660133.db2.gz CHUWFERXUDDCQH-ZDUSSCGKSA-N -1 3 347.383 2.551 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCc3cnn(C(C)C)c32)c1[O-] ZINC001325525931 1329694262 /nfs/dbraw/zinc/69/42/62/1329694262.db2.gz NBKGPMFPQQXIEP-DMOKECBHSA-N -1 3 328.416 2.862 20 30 EFEDHM C=CCCC[C@@H](N)C(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001336693441 1331492991 /nfs/dbraw/zinc/49/29/91/1331492991.db2.gz QTGPRUQNOOOLSE-GFCCVEGCSA-N -1 3 348.472 2.819 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)C[C@H](C)c1nccs1 ZINC001339014052 1331769792 /nfs/dbraw/zinc/76/97/92/1331769792.db2.gz CGCZJMAQZMSVKM-JTQLQIEISA-N -1 3 346.416 2.521 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@H](SC)C1 ZINC001339656197 1331922423 /nfs/dbraw/zinc/92/24/23/1331922423.db2.gz GVHFVIHLSIWATH-NSHDSACASA-N -1 3 335.433 2.547 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@@H](SCC)C1 ZINC001339656772 1331922456 /nfs/dbraw/zinc/92/24/56/1331922456.db2.gz IXJLJZWSGHEMQV-GFCCVEGCSA-N -1 3 349.460 2.937 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCO[C@H](CC)C3)n2C)c1[O-] ZINC001340035459 1332130760 /nfs/dbraw/zinc/13/07/60/1332130760.db2.gz IACYAEQJBVBLSA-OAHLLOKOSA-N -1 3 342.443 2.922 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(CC(C)C)C(C)C ZINC001342130688 1332307633 /nfs/dbraw/zinc/30/76/33/1332307633.db2.gz YKHIQSKKFLTBEF-UHFFFAOYSA-N -1 3 330.436 2.888 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)nc2)cc1 ZINC001342598683 1332334053 /nfs/dbraw/zinc/33/40/53/1332334053.db2.gz VXDYJZYSAMEECM-CYBMUJFWSA-N -1 3 329.743 2.705 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(C3CCC3)c2)c1 ZINC001343582897 1332360029 /nfs/dbraw/zinc/36/00/29/1332360029.db2.gz MFMMOPHCYZMCKG-MRXNPFEDSA-N -1 3 338.367 2.578 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(CC)CC1 ZINC001343666416 1332367783 /nfs/dbraw/zinc/36/77/83/1332367783.db2.gz BNXQCFAZVSYZTO-UHFFFAOYSA-N -1 3 328.420 2.643 20 30 EFEDHM C=CCN(c1nnc(-c2c[n-]oc2=O)n1Cc1ccccc1)C1CC1 ZINC001343725837 1332373805 /nfs/dbraw/zinc/37/38/05/1332373805.db2.gz JJDMLIUKNGNYQQ-UHFFFAOYSA-N -1 3 337.383 2.842 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC001343924757 1332391679 /nfs/dbraw/zinc/39/16/79/1332391679.db2.gz YUXOCULZRVGPDB-NSHDSACASA-N -1 3 349.225 2.700 20 30 EFEDHM C#CC[C@H](C)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC001344645590 1332469740 /nfs/dbraw/zinc/46/97/40/1332469740.db2.gz XQHNZDWUYLPILM-VIFPVBQESA-N -1 3 349.330 2.646 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001346356476 1332629276 /nfs/dbraw/zinc/62/92/76/1332629276.db2.gz TUPDMCPSYKRKJB-ZDUSSCGKSA-N -1 3 342.447 2.889 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1cn(C)nc1-c1cccs1 ZINC001347337976 1332735661 /nfs/dbraw/zinc/73/56/61/1332735661.db2.gz OBNUYHJDIVQGFF-NSHDSACASA-N -1 3 325.397 2.855 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c(F)ccnc1F ZINC001347468820 1332748193 /nfs/dbraw/zinc/74/81/93/1332748193.db2.gz YWUQGFNDSLRVCC-UHFFFAOYSA-N -1 3 332.310 2.520 20 30 EFEDHM C=C(C)C[C@H](NCc1ccc(OC)c(O)c1Br)C(=O)[O-] ZINC001348503648 1332843572 /nfs/dbraw/zinc/84/35/72/1332843572.db2.gz VYNHCYWYGGRCIG-JTQLQIEISA-N -1 3 344.205 2.672 20 30 EFEDHM C=CCC1(C(=O)N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)CCCC1 ZINC001349214452 1332920482 /nfs/dbraw/zinc/92/04/82/1332920482.db2.gz URFSKABWJURTOU-HNNXBMFYSA-N -1 3 344.459 2.712 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cn(C(C)C)nc1C ZINC000847624615 1334023419 /nfs/dbraw/zinc/02/34/19/1334023419.db2.gz UYMSTAHBMNFDBX-CYBMUJFWSA-N -1 3 340.383 2.742 20 30 EFEDHM CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)c1cccc2ccccc21 ZINC000848132089 1334344335 /nfs/dbraw/zinc/34/43/35/1334344335.db2.gz NKKGLEKBBOPVJU-INIZCTEOSA-N -1 3 326.396 2.614 20 30 EFEDHM CC(C)Cc1ccc(CCCC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848134508 1334347113 /nfs/dbraw/zinc/34/71/13/1334347113.db2.gz AOKNVGYYNYDVBC-QGZVFWFLSA-N -1 3 332.444 2.704 20 30 EFEDHM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135894 1334348143 /nfs/dbraw/zinc/34/81/43/1334348143.db2.gz QSXIANKIHQRUBA-MMQHEFTJSA-N -1 3 343.210 2.893 20 30 EFEDHM C[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Cl)c(Cl)c1 ZINC000848135202 1334348422 /nfs/dbraw/zinc/34/84/22/1334348422.db2.gz AQMJJSCTKVFUTH-QPUJVOFHSA-N -1 3 331.199 2.593 20 30 EFEDHM Cc1ccc(Nc2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848137378 1334349113 /nfs/dbraw/zinc/34/91/13/1334349113.db2.gz DYLAWPSZYIMKOU-KRWDZBQOSA-N -1 3 339.395 2.849 20 30 EFEDHM Cc1ccccc1C1(C(=O)N[C@@H]2CCCN([O-])C2=O)CCCCC1 ZINC000848138953 1334350648 /nfs/dbraw/zinc/35/06/48/1334350648.db2.gz QSLPQBGTNSZYKA-MRXNPFEDSA-N -1 3 330.428 2.693 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000848139538 1334351695 /nfs/dbraw/zinc/35/16/95/1334351695.db2.gz YCQCJHMFDCDOSK-JTQLQIEISA-N -1 3 339.804 2.507 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CCCCCO)n2C)c1[O-] ZINC001355746689 1334862883 /nfs/dbraw/zinc/86/28/83/1334862883.db2.gz WGGCXHWWNVDZBN-UHFFFAOYSA-N -1 3 344.459 2.905 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)[C@@H](C)[C@H]1C ZINC001355958939 1334918360 /nfs/dbraw/zinc/91/83/60/1334918360.db2.gz VFPIBRBXSHNNKJ-YNEHKIRRSA-N -1 3 342.447 2.806 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(CC)Cc1cccs1 ZINC001356007790 1334930630 /nfs/dbraw/zinc/93/06/30/1334930630.db2.gz OQDSNKYHAQSGNI-UHFFFAOYSA-N -1 3 331.401 2.913 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)CCC(F)(F)F ZINC001356462784 1335039947 /nfs/dbraw/zinc/03/99/47/1335039947.db2.gz HIBYHRBJAPEPLU-UHFFFAOYSA-N -1 3 331.298 2.603 20 30 EFEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1 ZINC001357691740 1335325537 /nfs/dbraw/zinc/32/55/37/1335325537.db2.gz CEPKHVOTGMTDKM-UHFFFAOYSA-N -1 3 325.328 2.863 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(C2CC2)no1 ZINC000849662607 1335685045 /nfs/dbraw/zinc/68/50/45/1335685045.db2.gz INZPYPBEEPKDTK-UHFFFAOYSA-N -1 3 341.367 2.817 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000940303379 1335922476 /nfs/dbraw/zinc/92/24/76/1335922476.db2.gz VZIDKBMSAWCKKY-LJQANCHMSA-N -1 3 330.428 2.669 20 30 EFEDHM Cc1nn(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Cl ZINC001361643922 1336240700 /nfs/dbraw/zinc/24/07/00/1336240700.db2.gz LLNOMUWGFUMPJI-UHFFFAOYSA-N -1 3 347.806 2.542 20 30 EFEDHM N#Cc1ccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c(F)c1 ZINC001361769028 1336324224 /nfs/dbraw/zinc/32/42/24/1336324224.db2.gz RTXUVSOTJODPIO-UHFFFAOYSA-N -1 3 330.266 2.906 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ncc(C#N)cc2Cl)[n-]n1 ZINC001362596314 1336668064 /nfs/dbraw/zinc/66/80/64/1336668064.db2.gz ZUUMXKOECLVBGY-UHFFFAOYSA-N -1 3 347.762 2.537 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ncc(C#N)cc2Cl)n[n-]1 ZINC001362596314 1336668065 /nfs/dbraw/zinc/66/80/65/1336668065.db2.gz ZUUMXKOECLVBGY-UHFFFAOYSA-N -1 3 347.762 2.537 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(C)c(F)c1 ZINC001363969319 1337132592 /nfs/dbraw/zinc/13/25/92/1337132592.db2.gz MXSAGYXRROKGSG-CQSZACIVSA-N -1 3 333.388 2.830 20 30 EFEDHM CCOC(=O)c1ncc(C(=O)[N-]c2cc(OC)c(C#N)cc2F)s1 ZINC001417569057 1373044886 /nfs/dbraw/zinc/04/48/86/1373044886.db2.gz LMDUWMXHUIQORM-UHFFFAOYSA-N -1 3 349.343 2.591 20 30 EFEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)CO2 ZINC001423813660 1382418513 /nfs/dbraw/zinc/41/85/13/1382418513.db2.gz LUDUJXAPSYWWFR-OAHLLOKOSA-N -1 3 346.383 2.726 20 30 EFEDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC001458453971 1395472350 /nfs/dbraw/zinc/47/23/50/1395472350.db2.gz FFCGEKYZLOLARB-ZJUUUORDSA-N -1 3 345.790 2.782 20 30 EFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)NCC2(CC#N)CC2)s1 ZINC001467644580 1396880284 /nfs/dbraw/zinc/88/02/84/1396880284.db2.gz AOJOWGBLYZKAPA-UHFFFAOYSA-N -1 3 336.417 2.914 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2ccccc2CC#N)[n-]n1 ZINC001469326591 1397023006 /nfs/dbraw/zinc/02/30/06/1397023006.db2.gz KTYACFLXPSTKRM-UHFFFAOYSA-N -1 3 340.383 2.612 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)Cc2ccccc2CC#N)n[n-]1 ZINC001469326591 1397023013 /nfs/dbraw/zinc/02/30/13/1397023013.db2.gz KTYACFLXPSTKRM-UHFFFAOYSA-N -1 3 340.383 2.612 20 30 EFEDHM N#Cc1cc(F)c(C(F)(F)F)cc1N1CCc2c(=O)[n-]cnc2C1 ZINC001548514807 1404531744 /nfs/dbraw/zinc/53/17/44/1404531744.db2.gz MRBNDJYOZCNCJI-UHFFFAOYSA-N -1 3 338.264 2.774 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCN2c2ccccc2)c1[O-] ZINC001551950597 1414290879 /nfs/dbraw/zinc/29/08/79/1414290879.db2.gz STRVBQROQAXEQU-RONKMWSCSA-N -1 3 325.412 2.676 20 30 EFEDHM C=CCN(CCOc1ccc(-c2nn[n-]n2)cc1)CCc1ccco1 ZINC000823904045 1429234582 /nfs/dbraw/zinc/23/45/82/1429234582.db2.gz SSNBUVCZBSILPA-UHFFFAOYSA-N -1 3 339.399 2.569 20 30 EFEDHM C=CCN(CCOc1ccc(-c2nnn[n-]2)cc1)CCc1ccco1 ZINC000823904045 1429234592 /nfs/dbraw/zinc/23/45/92/1429234592.db2.gz SSNBUVCZBSILPA-UHFFFAOYSA-N -1 3 339.399 2.569 20 30 EFEDHM COc1csc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)c1 ZINC000178008191 1424575837 /nfs/dbraw/zinc/57/58/37/1424575837.db2.gz UDQAGUXHYSJZAN-UHFFFAOYSA-N -1 3 339.380 2.520 20 30 EFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3ccc(Cl)o3)n2)cc1 ZINC000178008988 1424576222 /nfs/dbraw/zinc/57/62/22/1424576222.db2.gz IXEFZLPOAWJRNG-UHFFFAOYSA-N -1 3 327.731 2.697 20 30 EFEDHM C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820758721 1429844915 /nfs/dbraw/zinc/84/49/15/1429844915.db2.gz BYSQEGQMXJGXBQ-CQSZACIVSA-N -1 3 347.426 2.787 20 30 EFEDHM C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820758721 1429844926 /nfs/dbraw/zinc/84/49/26/1429844926.db2.gz BYSQEGQMXJGXBQ-CQSZACIVSA-N -1 3 347.426 2.787 20 30 EFEDHM N#Cc1cccc(C2(NCc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000826386372 1447176789 /nfs/dbraw/zinc/17/67/89/1447176789.db2.gz BERGAPPRZRBLJA-UHFFFAOYSA-N -1 3 334.358 2.656 20 30 EFEDHM N#Cc1cccc(C2(NCc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000826386372 1447176792 /nfs/dbraw/zinc/17/67/92/1447176792.db2.gz BERGAPPRZRBLJA-UHFFFAOYSA-N -1 3 334.358 2.656 20 30 EFEDHM C#CCCOc1ccc(CNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735374644 1449724501 /nfs/dbraw/zinc/72/45/01/1449724501.db2.gz KZQSLADGOWTRPG-UHFFFAOYSA-N -1 3 333.395 2.559 20 30 EFEDHM C#CCCOc1ccc(CNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735374644 1449724508 /nfs/dbraw/zinc/72/45/08/1449724508.db2.gz KZQSLADGOWTRPG-UHFFFAOYSA-N -1 3 333.395 2.559 20 30 EFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000234029333 713400683 /nfs/dbraw/zinc/40/06/83/713400683.db2.gz XUJAWMFBEOQHJX-SECBINFHSA-N -1 3 336.638 2.793 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001021117361 713589611 /nfs/dbraw/zinc/58/96/11/713589611.db2.gz JMGHVWNHKHVPCL-YYFZDKIDSA-N -1 3 342.439 2.667 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001021118748 713591318 /nfs/dbraw/zinc/59/13/18/713591318.db2.gz DHNLWHSOVLPFJL-GOEBONIOSA-N -1 3 342.439 2.667 20 30 EFEDHM Cc1ccc(CC(=O)[N-]OCc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000177581494 713735807 /nfs/dbraw/zinc/73/58/07/713735807.db2.gz XRYVUXIRMFRJAL-UHFFFAOYSA-N -1 3 348.362 2.707 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC(CNC(=O)c3ccccc3[O-])CC2)C1 ZINC000949451578 714279397 /nfs/dbraw/zinc/27/93/97/714279397.db2.gz GUHAXOPSDOVXBL-UHFFFAOYSA-N -1 3 342.439 2.717 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(CC(C)C)n2)cc1 ZINC000892503361 718001867 /nfs/dbraw/zinc/00/18/67/718001867.db2.gz FWNVNMSDKUXMBZ-OAHLLOKOSA-N -1 3 340.383 2.509 20 30 EFEDHM C=C(C)CN(CC)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000024458931 724398445 /nfs/dbraw/zinc/39/84/45/724398445.db2.gz ODLDFLBUIMPXTA-UHFFFAOYSA-N -1 3 342.436 2.551 20 30 EFEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1cnc(C(C)(C)C)s1 ZINC000255582966 716572749 /nfs/dbraw/zinc/57/27/49/716572749.db2.gz MQOZTLDRGDSFDF-FOQNGQEVSA-N -1 3 342.424 2.779 20 30 EFEDHM CC1(C)CN(Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000972815463 717356073 /nfs/dbraw/zinc/35/60/73/717356073.db2.gz TUFPNUPMJFCLLA-IBGZPJMESA-N -1 3 349.434 2.904 20 30 EFEDHM C=CCC(C)(C)c1noc([C@H]([N-]S(=O)(=O)C2CC2)C(C)C)n1 ZINC000924080190 718218070 /nfs/dbraw/zinc/21/80/70/718218070.db2.gz LJYHOYBDTPXFGO-GFCCVEGCSA-N -1 3 327.450 2.702 20 30 EFEDHM N#Cc1sc(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)nc1Cl ZINC001059554631 724512843 /nfs/dbraw/zinc/51/28/43/724512843.db2.gz UZSAMBGUKYFQDV-DTORHVGOSA-N -1 3 348.815 2.747 20 30 EFEDHM C#CCCN(Cc1ccc([O-])c(OC)c1[N+](=O)[O-])CC(F)(F)F ZINC000893640543 718985266 /nfs/dbraw/zinc/98/52/66/718985266.db2.gz OPPKNIKBUBTJAF-UHFFFAOYSA-N -1 3 332.278 2.697 20 30 EFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCCc2ccccc2C1 ZINC000329957085 720825093 /nfs/dbraw/zinc/82/50/93/720825093.db2.gz LQEDCVHMKPBEJB-UHFFFAOYSA-N -1 3 339.321 2.686 20 30 EFEDHM C=C1CCC(C(=O)N2CC[C@H](CNC(=O)c3ccccc3[O-])C2)CC1 ZINC000983237780 721929892 /nfs/dbraw/zinc/92/98/92/721929892.db2.gz MPSOLTZZOFSDAR-OAHLLOKOSA-N -1 3 342.439 2.717 20 30 EFEDHM COc1cccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)c1OC(C)C ZINC000917554718 728759412 /nfs/dbraw/zinc/75/94/12/728759412.db2.gz JLYJJVZMSVWORG-UHFFFAOYSA-N -1 3 326.360 2.595 20 30 EFEDHM C(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccccc1OCc1cccnc1 ZINC000917556043 728759790 /nfs/dbraw/zinc/75/97/90/728759790.db2.gz RLLOAIQHCUZDAE-UHFFFAOYSA-N -1 3 345.366 2.773 20 30 EFEDHM CCCC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1cccc([N+](=O)[O-])c1 ZINC000917555753 728759881 /nfs/dbraw/zinc/75/98/81/728759881.db2.gz XALSIBSUNRYGBE-UHFFFAOYSA-N -1 3 325.332 2.877 20 30 EFEDHM CC#CCCCC(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196533 722887040 /nfs/dbraw/zinc/88/70/40/722887040.db2.gz XHAJEEJBUWVSBD-MRXNPFEDSA-N -1 3 342.439 2.554 20 30 EFEDHM C=C[C@H](CC)CC(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196544 722887065 /nfs/dbraw/zinc/88/70/65/722887065.db2.gz XSKQOWMFMCMUGP-CVEARBPZSA-N -1 3 344.455 2.963 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196547 722887149 /nfs/dbraw/zinc/88/71/49/722887149.db2.gz XSKQOWMFMCMUGP-JKSUJKDBSA-N -1 3 344.455 2.963 20 30 EFEDHM C=CC(C)(C)CC(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196627 722887302 /nfs/dbraw/zinc/88/73/02/722887302.db2.gz ZALSMDROQHGGOC-OAHLLOKOSA-N -1 3 344.455 2.963 20 30 EFEDHM N#CCCN(CC1CC1)C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000896153075 723162809 /nfs/dbraw/zinc/16/28/09/723162809.db2.gz SLFNEHBHLSNIBI-UHFFFAOYSA-N -1 3 331.322 2.572 20 30 EFEDHM O=C1[C@H](NCc2cc(Br)c(Cl)s2)CCCN1[O-] ZINC000895161789 723493125 /nfs/dbraw/zinc/49/31/25/723493125.db2.gz UKVMOSBMAPFGJH-MRVPVSSYSA-N -1 3 339.642 2.634 20 30 EFEDHM O=C1[C@@H](NCc2cc(Cl)ccc2Br)CCCN1[O-] ZINC000895164439 723503417 /nfs/dbraw/zinc/50/34/17/723503417.db2.gz GJYZSCBDOWFOLB-NSHDSACASA-N -1 3 333.613 2.572 20 30 EFEDHM Cc1ccc(OCc2nc(CN[C@H]3CCCN([O-])C3=O)cs2)cc1 ZINC000895167565 723516558 /nfs/dbraw/zinc/51/65/58/723516558.db2.gz YLTXDXCXAXEWNV-HNNXBMFYSA-N -1 3 347.440 2.500 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)c1 ZINC000127042185 723555753 /nfs/dbraw/zinc/55/57/53/723555753.db2.gz AFSAMKROJSDQCQ-HNNXBMFYSA-N -1 3 330.290 2.935 20 30 EFEDHM COc1cc(CC/N=C\c2c([O-])c(C)ncc2CO)ccc1Cl ZINC000840706705 723568430 /nfs/dbraw/zinc/56/84/30/723568430.db2.gz NUPYOPNZNBOTKA-OCKHKDLRSA-N -1 3 334.803 2.912 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)c1 ZINC000127072231 723599033 /nfs/dbraw/zinc/59/90/33/723599033.db2.gz JOTVTXJYQKPCKN-CYBMUJFWSA-N -1 3 330.290 2.935 20 30 EFEDHM O=C1[C@@H](NCc2cc(Cl)cc(Br)c2)CCCN1[O-] ZINC000895192897 723860793 /nfs/dbraw/zinc/86/07/93/723860793.db2.gz KQWOACQSFNWSOQ-NSHDSACASA-N -1 3 333.613 2.572 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2occc2C)cc1OC ZINC000130074550 725504646 /nfs/dbraw/zinc/50/46/46/725504646.db2.gz VYVJJAUTHANDTG-GFCCVEGCSA-N -1 3 328.324 2.566 20 30 EFEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@]1(N2CCOCC2)CCSC1 ZINC000122558239 725866892 /nfs/dbraw/zinc/86/68/92/725866892.db2.gz XLKURUXABMQDRA-HKJBKDEOSA-N -1 3 340.876 2.672 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC000988296043 726157751 /nfs/dbraw/zinc/15/77/51/726157751.db2.gz SXGAZOYBIYUELW-QRWLVFNGSA-N -1 3 344.455 2.915 20 30 EFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cccs2)cc1 ZINC000130382391 726991085 /nfs/dbraw/zinc/99/10/85/726991085.db2.gz HEEHEUCPYBHCAG-ZDUSSCGKSA-N -1 3 342.376 2.886 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)/C(F)=C\c1ccc(C(F)(F)F)cc1 ZINC000908407886 727180234 /nfs/dbraw/zinc/18/02/34/727180234.db2.gz XTJCFBFGRMLETQ-JATZPVMKSA-N -1 3 346.280 2.512 20 30 EFEDHM C=CCC[C@@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000909713585 727366269 /nfs/dbraw/zinc/36/62/69/727366269.db2.gz GLAUBNBRONSDJM-QGZVFWFLSA-N -1 3 330.428 2.822 20 30 EFEDHM C=CCC[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000909713584 727366359 /nfs/dbraw/zinc/36/63/59/727366359.db2.gz GLAUBNBRONSDJM-KRWDZBQOSA-N -1 3 330.428 2.822 20 30 EFEDHM C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910286405 727427682 /nfs/dbraw/zinc/42/76/82/727427682.db2.gz IIHKPTKGLVVTFW-NVXWUHKLSA-N -1 3 348.418 2.573 20 30 EFEDHM C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910286407 727427763 /nfs/dbraw/zinc/42/77/63/727427763.db2.gz IIHKPTKGLVVTFW-WBVHZDCISA-N -1 3 348.418 2.573 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000911354914 727529958 /nfs/dbraw/zinc/52/99/58/727529958.db2.gz ZHMGLKGYMNMBEC-UHFFFAOYSA-N -1 3 336.819 2.809 20 30 EFEDHM Cc1ccc(NC(=S)NN=Cc2c([O-])c(C)ncc2CO)cc1C ZINC000915919399 727639731 /nfs/dbraw/zinc/63/97/31/727639731.db2.gz WUPSMFMDZCFUDK-UHFFFAOYSA-N -1 3 344.440 2.525 20 30 EFEDHM CCCCC[C@H](C)CNC(=S)NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000915945658 727641887 /nfs/dbraw/zinc/64/18/87/727641887.db2.gz XNBIYVYUMMXXME-NSHDSACASA-N -1 3 348.472 2.729 20 30 EFEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)o1 ZINC000916320957 727676935 /nfs/dbraw/zinc/67/69/35/727676935.db2.gz PHCPOOXDJJUVGY-CQSZACIVSA-N -1 3 342.380 2.863 20 30 EFEDHM C=CCNC(=S)NN=C(CC)c1cc(Br)ccc1[O-] ZINC000916581311 727699500 /nfs/dbraw/zinc/69/95/00/727699500.db2.gz YODCMTXYTMBYAE-UHFFFAOYSA-N -1 3 342.262 2.919 20 30 EFEDHM CCC(=NN1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000916581087 727699524 /nfs/dbraw/zinc/69/95/24/727699524.db2.gz FTLQYEBWRMALEC-UHFFFAOYSA-N -1 3 326.238 2.516 20 30 EFEDHM N#Cc1ccccc1NC(=O)CCCC(=O)[N-]OCc1ccccc1 ZINC000150888027 727737526 /nfs/dbraw/zinc/73/75/26/727737526.db2.gz QUTMNOQTPUOPMH-UHFFFAOYSA-N -1 3 337.379 2.915 20 30 EFEDHM C#CC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000070119015 728003144 /nfs/dbraw/zinc/00/31/44/728003144.db2.gz RNEJDENIYJDVAS-UHFFFAOYSA-N -1 3 336.638 2.793 20 30 EFEDHM Cc1cc(C)c(CCNC(=O)NN=c2nc(C)cc(C)[n-]2)c(C)c1 ZINC000058214503 728155551 /nfs/dbraw/zinc/15/55/51/728155551.db2.gz TWAHTBKERYQREG-UHFFFAOYSA-N -1 3 327.432 2.514 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000129789698 728224398 /nfs/dbraw/zinc/22/43/98/728224398.db2.gz RUHHWXZROAQVFF-CYBMUJFWSA-N -1 3 339.307 2.565 20 30 EFEDHM C=C(C)CN(CC)C(=O)COC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919326293 729005244 /nfs/dbraw/zinc/00/52/44/729005244.db2.gz SIARYBRSBHPXLR-UHFFFAOYSA-N -1 3 331.372 2.560 20 30 EFEDHM C=C(C)CN(CC)C(=O)COC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919326293 729005247 /nfs/dbraw/zinc/00/52/47/729005247.db2.gz SIARYBRSBHPXLR-UHFFFAOYSA-N -1 3 331.372 2.560 20 30 EFEDHM COC(=O)N(C)c1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000920177631 729157591 /nfs/dbraw/zinc/15/75/91/729157591.db2.gz ITNDWHRZPFZMQP-UHFFFAOYSA-N -1 3 329.356 2.541 20 30 EFEDHM Cc1cc(C)c2c(c1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCO2 ZINC000920384127 729178130 /nfs/dbraw/zinc/17/81/30/729178130.db2.gz PFOTUFLURNOQEP-UHFFFAOYSA-N -1 3 344.436 2.910 20 30 EFEDHM CC(C)(C)c1ncc(C=N[N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000920384092 729178151 /nfs/dbraw/zinc/17/81/51/729178151.db2.gz OJKDWCAHWFAIMP-UHFFFAOYSA-N -1 3 337.470 2.894 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000921463793 729453922 /nfs/dbraw/zinc/45/39/22/729453922.db2.gz UFQRREXGXXLHHA-CQSZACIVSA-N -1 3 343.420 2.704 20 30 EFEDHM C=CC(C)(C)CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001123378106 939823628 /nfs/dbraw/zinc/82/36/28/939823628.db2.gz FLHUQCVFTOPYKK-HXUWFJFHSA-N -1 3 344.455 2.824 20 30 EFEDHM C#Cc1ccccc1CC(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001573290765 946910927 /nfs/dbraw/zinc/91/09/27/946910927.db2.gz OXTNSJMJRWUYSP-UHFFFAOYSA-N -1 3 346.390 2.921 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001573290833 946912022 /nfs/dbraw/zinc/91/20/22/946912022.db2.gz QQKVXPZRKJJAGI-UHFFFAOYSA-N -1 3 335.342 2.654 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001573290833 946912028 /nfs/dbraw/zinc/91/20/28/946912028.db2.gz QQKVXPZRKJJAGI-UHFFFAOYSA-N -1 3 335.342 2.654 20 30 EFEDHM C=C(C)[C@@H](CO)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC001573298070 947070288 /nfs/dbraw/zinc/07/02/88/947070288.db2.gz AHDKEMYSZSAFHT-OAHLLOKOSA-N -1 3 339.424 2.958 20 30 EFEDHM C=C(C)[C@@H](CO)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC001573298070 947070299 /nfs/dbraw/zinc/07/02/99/947070299.db2.gz AHDKEMYSZSAFHT-OAHLLOKOSA-N -1 3 339.424 2.958 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001573327403 947385844 /nfs/dbraw/zinc/38/58/44/947385844.db2.gz DFQYVVRVIUMTIT-ZDUSSCGKSA-N -1 3 343.431 2.743 20 30 EFEDHM C=CCC1(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001573329361 947417822 /nfs/dbraw/zinc/41/78/22/947417822.db2.gz ILJGBIJVXIYDLU-CYBMUJFWSA-N -1 3 342.399 2.844 20 30 EFEDHM C=CCC1(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001573329361 947417830 /nfs/dbraw/zinc/41/78/30/947417830.db2.gz ILJGBIJVXIYDLU-CYBMUJFWSA-N -1 3 342.399 2.844 20 30 EFEDHM Cc1cccn2c(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)cnc12 ZINC000826308327 947886214 /nfs/dbraw/zinc/88/62/14/947886214.db2.gz UQESKCNYORTOLW-FNORWQNLSA-N -1 3 348.341 2.858 20 30 EFEDHM Cc1cccn2c(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)cnc12 ZINC000826308327 947886222 /nfs/dbraw/zinc/88/62/22/947886222.db2.gz UQESKCNYORTOLW-FNORWQNLSA-N -1 3 348.341 2.858 20 30 EFEDHM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826333925 947967068 /nfs/dbraw/zinc/96/70/68/947967068.db2.gz ZQPKGOSCLSQKPR-WAYWQWQTSA-N -1 3 346.753 2.597 20 30 EFEDHM Cc1nn(C)c(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826333925 947967079 /nfs/dbraw/zinc/96/70/79/947967079.db2.gz ZQPKGOSCLSQKPR-WAYWQWQTSA-N -1 3 346.753 2.597 20 30 EFEDHM N#Cc1csc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826387753 948191905 /nfs/dbraw/zinc/19/19/05/948191905.db2.gz PFZBPXRPKJNLRT-RQOWECAXSA-N -1 3 325.328 2.835 20 30 EFEDHM N#Cc1csc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826387753 948191909 /nfs/dbraw/zinc/19/19/09/948191909.db2.gz PFZBPXRPKJNLRT-RQOWECAXSA-N -1 3 325.328 2.835 20 30 EFEDHM N#Cc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(Br)c1 ZINC001594620567 956277906 /nfs/dbraw/zinc/27/79/06/956277906.db2.gz MDDMFBBOAJNBCN-UONOGXRCSA-N -1 3 349.228 2.863 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCN(CCC2(C(=O)[O-])CCC2)CC1 ZINC001605576622 973849304 /nfs/dbraw/zinc/84/93/04/973849304.db2.gz OVYXDQSOOAPIGC-KRWDZBQOSA-N -1 3 327.428 2.514 20 30 EFEDHM C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1ccc(C#N)s1 ZINC001592267265 977512773 /nfs/dbraw/zinc/51/27/73/977512773.db2.gz CJCFJOAJBFHDEZ-LLVKDONJSA-N -1 3 343.408 2.825 20 30 EFEDHM C#Cc1cccc(CN[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)c1 ZINC001588522423 983571218 /nfs/dbraw/zinc/57/12/18/983571218.db2.gz XEFWJOUUEHEHNG-GOSISDBHSA-N -1 3 325.364 2.601 20 30 EFEDHM C=CCOC[C@@H](NCc1cccc(C)c1Br)C(=O)[O-] ZINC001588867016 984429571 /nfs/dbraw/zinc/42/95/71/984429571.db2.gz XQTAITRQKADYMG-GFCCVEGCSA-N -1 3 328.206 2.503 20 30 EFEDHM C=CCOC[C@@H](NCc1c(C)nn(-c2ccccc2C)c1C)C(=O)[O-] ZINC001588867038 984429923 /nfs/dbraw/zinc/42/99/23/984429923.db2.gz YGJMAUPRLIQIFY-QGZVFWFLSA-N -1 3 343.427 2.543 20 30 EFEDHM C[C@H]1CN(Cc2ccc(C#N)cc2Br)C[C@]1(C)C(=O)[O-] ZINC001599929708 985288271 /nfs/dbraw/zinc/28/82/71/985288271.db2.gz JNRDZCSRCDMPQC-BONVTDFDSA-N -1 3 337.217 2.863 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001589334582 986203211 /nfs/dbraw/zinc/20/32/11/986203211.db2.gz HDYQCVQFUSVCGX-AUUYWEPGSA-N -1 3 339.395 2.852 20 30 EFEDHM CN(C1CCCC1)C(C)(C)C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598370418 991530690 /nfs/dbraw/zinc/53/06/90/991530690.db2.gz OMDBEOHGZWPNQL-INIZCTEOSA-N -1 3 344.411 2.880 20 30 EFEDHM COc1cccc([C@@H](NCc2ccc(OCC#N)cc2)C(=O)[O-])c1 ZINC001599659955 994640793 /nfs/dbraw/zinc/64/07/93/994640793.db2.gz RBSGLLSUNYUSND-QGZVFWFLSA-N -1 3 326.352 2.513 20 30 EFEDHM COc1cccc([C@H](NCc2cccc(OCC#N)c2)C(=O)[O-])c1 ZINC001599660778 994652839 /nfs/dbraw/zinc/65/28/39/994652839.db2.gz WTLYFPSFFJJGHM-KRWDZBQOSA-N -1 3 326.352 2.513 20 30 EFEDHM C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593298531 994715633 /nfs/dbraw/zinc/71/56/33/994715633.db2.gz KROVECGUYYKCEA-AWEZNQCLSA-N -1 3 340.379 2.903 20 30 EFEDHM COC1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001599087027 997117419 /nfs/dbraw/zinc/11/74/19/997117419.db2.gz YFKZWIMLCWNVLW-CYBMUJFWSA-N -1 3 342.317 2.727 20 30 EFEDHM C[C@@H]1CC(Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)C[C@@H](C)C1 ZINC001575968098 1088814125 /nfs/dbraw/zinc/81/41/25/1088814125.db2.gz AGSIWJQLKXJVMM-IUCAKERBSA-N -1 3 329.433 2.632 20 30 EFEDHM C[C@@H]1CC(Sc2nc(N)c(C#N)cc2-c2nn[n-]n2)C[C@@H](C)C1 ZINC001575968098 1088814149 /nfs/dbraw/zinc/81/41/49/1088814149.db2.gz AGSIWJQLKXJVMM-IUCAKERBSA-N -1 3 329.433 2.632 20 30 EFEDHM CSc1ccc(F)cc1C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001647094105 1088892604 /nfs/dbraw/zinc/89/26/04/1088892604.db2.gz CZWSWXIPBAMHTM-UHFFFAOYSA-N -1 3 336.413 2.786 20 30 EFEDHM Cc1nc[n-]c(=O)c1CCC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC001647120634 1088944637 /nfs/dbraw/zinc/94/46/37/1088944637.db2.gz IOUUXIJWVFVNNM-UHFFFAOYSA-N -1 3 348.406 2.611 20 30 EFEDHM C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@@H]3C#N)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001576383117 1089167830 /nfs/dbraw/zinc/16/78/30/1089167830.db2.gz HHIAQOIKSRVDCP-AXTSPUMRSA-N -1 3 342.428 2.712 20 30 EFEDHM C[C@@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@@H]3C#N)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001576383117 1089167845 /nfs/dbraw/zinc/16/78/45/1089167845.db2.gz HHIAQOIKSRVDCP-AXTSPUMRSA-N -1 3 342.428 2.712 20 30 EFEDHM CN(C(=O)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001578921121 1090476496 /nfs/dbraw/zinc/47/64/96/1090476496.db2.gz CRNHAFOJFWSJIW-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001578921121 1090476499 /nfs/dbraw/zinc/47/64/99/1090476499.db2.gz CRNHAFOJFWSJIW-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM COc1cc(C#N)ccc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001579888851 1090715453 /nfs/dbraw/zinc/71/54/53/1090715453.db2.gz SBQLEWWOJSWGBQ-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C#N)ccc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001579888851 1090715457 /nfs/dbraw/zinc/71/54/57/1090715457.db2.gz SBQLEWWOJSWGBQ-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(OC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)ccc1C#N ZINC001579936742 1090727723 /nfs/dbraw/zinc/72/77/23/1090727723.db2.gz UPONNQBNVJCGIL-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1cc(OC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)ccc1C#N ZINC001579936742 1090727726 /nfs/dbraw/zinc/72/77/26/1090727726.db2.gz UPONNQBNVJCGIL-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001580526103 1090933897 /nfs/dbraw/zinc/93/38/97/1090933897.db2.gz IKOSLBXEVZUJKI-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001580526103 1090933903 /nfs/dbraw/zinc/93/39/03/1090933903.db2.gz IKOSLBXEVZUJKI-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1ccc(C#N)c(F)c1 ZINC001580612420 1090966743 /nfs/dbraw/zinc/96/67/43/1090966743.db2.gz OFEROSZGWKQMIP-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1ccc(C#N)c(F)c1 ZINC001580612420 1090966746 /nfs/dbraw/zinc/96/67/46/1090966746.db2.gz OFEROSZGWKQMIP-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C#N)c(F)cc1F ZINC001580621435 1090969798 /nfs/dbraw/zinc/96/97/98/1090969798.db2.gz XNAQKJKTOFQCDI-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C#N)c(F)cc1F ZINC001580621435 1090969801 /nfs/dbraw/zinc/96/98/01/1090969801.db2.gz XNAQKJKTOFQCDI-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001580768834 1091001842 /nfs/dbraw/zinc/00/18/42/1091001842.db2.gz OCIQGAORDSSFBC-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001580768834 1091001847 /nfs/dbraw/zinc/00/18/47/1091001847.db2.gz OCIQGAORDSSFBC-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Fc1ccc(C#CCN2CCCc3c(-c4nnn[n-]4)cccc32)cc1 ZINC001581853942 1091317791 /nfs/dbraw/zinc/31/77/91/1091317791.db2.gz AOANMTQANXSRHI-UHFFFAOYSA-N -1 3 333.370 2.810 20 30 EFEDHM Fc1ccc(C#CCN2CCCc3c(-c4nn[n-]n4)cccc32)cc1 ZINC001581853942 1091317799 /nfs/dbraw/zinc/31/77/99/1091317799.db2.gz AOANMTQANXSRHI-UHFFFAOYSA-N -1 3 333.370 2.810 20 30 EFEDHM N#CCc1ccc(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)cc1 ZINC001581859678 1091322563 /nfs/dbraw/zinc/32/25/63/1091322563.db2.gz PJYIGKVJELNPJV-UHFFFAOYSA-N -1 3 343.350 2.666 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)cs1 ZINC001581864801 1091323102 /nfs/dbraw/zinc/32/31/02/1091323102.db2.gz OTMQLDMPJOHSND-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)cs1 ZINC001581864801 1091323113 /nfs/dbraw/zinc/32/31/13/1091323113.db2.gz OTMQLDMPJOHSND-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cc(C(=O)N(c2ccc(-c3nnn[n-]3)cc2)C2CCC2)co1 ZINC001581863246 1091323765 /nfs/dbraw/zinc/32/37/65/1091323765.db2.gz DFPLBLBZTLTLSM-UHFFFAOYSA-N -1 3 334.339 2.531 20 30 EFEDHM N#Cc1cc(C(=O)N(c2ccc(-c3nn[n-]n3)cc2)C2CCC2)co1 ZINC001581863246 1091323772 /nfs/dbraw/zinc/32/37/72/1091323772.db2.gz DFPLBLBZTLTLSM-UHFFFAOYSA-N -1 3 334.339 2.531 20 30 EFEDHM N#Cc1ccsc1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001581876973 1091329912 /nfs/dbraw/zinc/32/99/12/1091329912.db2.gz NKXPZKBXBFKSLP-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1ccsc1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001581876973 1091329928 /nfs/dbraw/zinc/32/99/28/1091329928.db2.gz NKXPZKBXBFKSLP-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC001581878688 1091330611 /nfs/dbraw/zinc/33/06/11/1091330611.db2.gz XOLJSCJKTNZVKI-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC001581878688 1091330621 /nfs/dbraw/zinc/33/06/21/1091330621.db2.gz XOLJSCJKTNZVKI-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM N#CC[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001583570435 1092042253 /nfs/dbraw/zinc/04/22/53/1092042253.db2.gz FIBUGCRRDLFIAM-CYBMUJFWSA-N -1 3 336.330 2.642 20 30 EFEDHM N#CC[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001583570435 1092042266 /nfs/dbraw/zinc/04/22/66/1092042266.db2.gz FIBUGCRRDLFIAM-CYBMUJFWSA-N -1 3 336.330 2.642 20 30 EFEDHM CCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)[C@@H](O)c1ccccc1 ZINC001649782846 1092675754 /nfs/dbraw/zinc/67/57/54/1092675754.db2.gz DKUNSCCHERALNP-RDJZCZTQSA-N -1 3 344.436 2.627 20 30 EFEDHM N#Cc1c(N)cc(=N)n(-c2cc(Cl)ccc2[O-])c1Br ZINC001216398799 1092729794 /nfs/dbraw/zinc/72/97/94/1092729794.db2.gz ZLIGVOKBWPBRJL-UHFFFAOYSA-N -1 3 339.580 2.532 20 30 EFEDHM C#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588327960 1092925131 /nfs/dbraw/zinc/92/51/31/1092925131.db2.gz VRUMESQHLHTBKB-QJWNTBNXSA-N -1 3 347.353 2.510 20 30 EFEDHM C#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588327960 1092925142 /nfs/dbraw/zinc/92/51/42/1092925142.db2.gz VRUMESQHLHTBKB-QJWNTBNXSA-N -1 3 347.353 2.510 20 30 EFEDHM C#CC[C@H](C)OC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588330648 1092925886 /nfs/dbraw/zinc/92/58/86/1092925886.db2.gz BZCUIWGLUHBKJG-VIFPVBQESA-N -1 3 326.381 2.958 20 30 EFEDHM C#CC[C@H](C)OC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588330648 1092925896 /nfs/dbraw/zinc/92/58/96/1092925896.db2.gz BZCUIWGLUHBKJG-VIFPVBQESA-N -1 3 326.381 2.958 20 30 EFEDHM C#CCC1(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588335096 1092928537 /nfs/dbraw/zinc/92/85/37/1092928537.db2.gz XKYAKGJRLKZLST-UHFFFAOYSA-N -1 3 337.427 2.799 20 30 EFEDHM C#CCC1(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588335096 1092928543 /nfs/dbraw/zinc/92/85/43/1092928543.db2.gz XKYAKGJRLKZLST-UHFFFAOYSA-N -1 3 337.427 2.799 20 30 EFEDHM C#CC[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC001588337603 1092928637 /nfs/dbraw/zinc/92/86/37/1092928637.db2.gz SWGDGBAUBNWHRF-SNVBAGLBSA-N -1 3 340.337 2.543 20 30 EFEDHM C#CC[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC001588337603 1092928653 /nfs/dbraw/zinc/92/86/53/1092928653.db2.gz SWGDGBAUBNWHRF-SNVBAGLBSA-N -1 3 340.337 2.543 20 30 EFEDHM C#CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001588334599 1092929562 /nfs/dbraw/zinc/92/95/62/1092929562.db2.gz BQNMJGQUNFZVGC-UHFFFAOYSA-N -1 3 341.390 2.596 20 30 EFEDHM C#CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001588334599 1092929571 /nfs/dbraw/zinc/92/95/71/1092929571.db2.gz BQNMJGQUNFZVGC-UHFFFAOYSA-N -1 3 341.390 2.596 20 30 EFEDHM C#CCCCCCC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001588345105 1092931140 /nfs/dbraw/zinc/93/11/40/1092931140.db2.gz QJJRQTXDPWRYJQ-UHFFFAOYSA-N -1 3 340.431 2.763 20 30 EFEDHM C#CCCCCCC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001588345105 1092931145 /nfs/dbraw/zinc/93/11/45/1092931145.db2.gz QJJRQTXDPWRYJQ-UHFFFAOYSA-N -1 3 340.431 2.763 20 30 EFEDHM C#CCCCCCC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588344480 1092931711 /nfs/dbraw/zinc/93/17/11/1092931711.db2.gz RSODPLOWJAJZGH-AWEZNQCLSA-N -1 3 325.416 2.970 20 30 EFEDHM C#CCCCCCC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588344480 1092931723 /nfs/dbraw/zinc/93/17/23/1092931723.db2.gz RSODPLOWJAJZGH-AWEZNQCLSA-N -1 3 325.416 2.970 20 30 EFEDHM C#CCCCOC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588345542 1092931901 /nfs/dbraw/zinc/93/19/01/1092931901.db2.gz KNBZAYNJTXDSHJ-UHFFFAOYSA-N -1 3 326.381 2.960 20 30 EFEDHM C#CCCCOC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588345542 1092931906 /nfs/dbraw/zinc/93/19/06/1092931906.db2.gz KNBZAYNJTXDSHJ-UHFFFAOYSA-N -1 3 326.381 2.960 20 30 EFEDHM C#Cc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001588374681 1092933799 /nfs/dbraw/zinc/93/37/99/1092933799.db2.gz IXDMJIJNPYRFMY-UHFFFAOYSA-N -1 3 344.378 2.659 20 30 EFEDHM C#Cc1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001588374681 1092933806 /nfs/dbraw/zinc/93/38/06/1092933806.db2.gz IXDMJIJNPYRFMY-UHFFFAOYSA-N -1 3 344.378 2.659 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC001588374730 1092933857 /nfs/dbraw/zinc/93/38/57/1092933857.db2.gz LKXJGQUMEBMNKU-UHFFFAOYSA-N -1 3 331.379 2.823 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC001588374730 1092933868 /nfs/dbraw/zinc/93/38/68/1092933868.db2.gz LKXJGQUMEBMNKU-UHFFFAOYSA-N -1 3 331.379 2.823 20 30 EFEDHM C#Cc1cccc(N(CC)CCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588374814 1092934471 /nfs/dbraw/zinc/93/44/71/1092934471.db2.gz PHJGINXTNXLPAZ-UHFFFAOYSA-N -1 3 333.395 2.753 20 30 EFEDHM C#Cc1cccc(N(CC)CCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588374814 1092934476 /nfs/dbraw/zinc/93/44/76/1092934476.db2.gz PHJGINXTNXLPAZ-UHFFFAOYSA-N -1 3 333.395 2.753 20 30 EFEDHM C#Cc1ccccc1CC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588375110 1092934797 /nfs/dbraw/zinc/93/47/97/1092934797.db2.gz FWSZBKJBELVZCG-AWEZNQCLSA-N -1 3 345.406 2.610 20 30 EFEDHM C#Cc1ccccc1CC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588375110 1092934815 /nfs/dbraw/zinc/93/48/15/1092934815.db2.gz FWSZBKJBELVZCG-AWEZNQCLSA-N -1 3 345.406 2.610 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1)OCC ZINC001588401142 1092940751 /nfs/dbraw/zinc/94/07/51/1092940751.db2.gz MECWVDJOWJXOBW-ZDUSSCGKSA-N -1 3 335.795 2.830 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1)OCC ZINC001588401142 1092940758 /nfs/dbraw/zinc/94/07/58/1092940758.db2.gz MECWVDJOWJXOBW-ZDUSSCGKSA-N -1 3 335.795 2.830 20 30 EFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1)OCC ZINC001588401141 1092940850 /nfs/dbraw/zinc/94/08/50/1092940850.db2.gz MECWVDJOWJXOBW-CYBMUJFWSA-N -1 3 335.795 2.830 20 30 EFEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1)OCC ZINC001588401141 1092940855 /nfs/dbraw/zinc/94/08/55/1092940855.db2.gz MECWVDJOWJXOBW-CYBMUJFWSA-N -1 3 335.795 2.830 20 30 EFEDHM C=C(C)CNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588431299 1092944252 /nfs/dbraw/zinc/94/42/52/1092944252.db2.gz YTBZJHZOLFAAFX-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=C(C)CNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588431299 1092944258 /nfs/dbraw/zinc/94/42/58/1092944258.db2.gz YTBZJHZOLFAAFX-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=C(C)CCc1noc([C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001588423792 1092945956 /nfs/dbraw/zinc/94/59/56/1092945956.db2.gz BIBOXYWEMMBVLR-AWEZNQCLSA-N -1 3 335.371 2.608 20 30 EFEDHM C=C(C)CCc1noc([C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001588423792 1092945964 /nfs/dbraw/zinc/94/59/64/1092945964.db2.gz BIBOXYWEMMBVLR-AWEZNQCLSA-N -1 3 335.371 2.608 20 30 EFEDHM C=C1CC(C)(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC001588454226 1092946580 /nfs/dbraw/zinc/94/65/80/1092946580.db2.gz OXAZCTASNRQYFU-UHFFFAOYSA-N -1 3 343.456 2.572 20 30 EFEDHM C=C1CC(C)(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC001588454226 1092946585 /nfs/dbraw/zinc/94/65/85/1092946585.db2.gz OXAZCTASNRQYFU-UHFFFAOYSA-N -1 3 343.456 2.572 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588456544 1092947808 /nfs/dbraw/zinc/94/78/08/1092947808.db2.gz PXFIFDGUFUFIPX-OKILXGFUSA-N -1 3 328.351 2.721 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588456544 1092947812 /nfs/dbraw/zinc/94/78/12/1092947812.db2.gz PXFIFDGUFUFIPX-OKILXGFUSA-N -1 3 328.351 2.721 20 30 EFEDHM C=C(CNC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588443962 1092948433 /nfs/dbraw/zinc/94/84/33/1092948433.db2.gz BXHLXRXPQFUOGU-AWEZNQCLSA-N -1 3 347.422 2.875 20 30 EFEDHM C=C(CNC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588443962 1092948446 /nfs/dbraw/zinc/94/84/46/1092948446.db2.gz BXHLXRXPQFUOGU-AWEZNQCLSA-N -1 3 347.422 2.875 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588487526 1092949721 /nfs/dbraw/zinc/94/97/21/1092949721.db2.gz UPIAKICTDMMTPO-UHFFFAOYSA-N -1 3 342.447 2.967 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588487526 1092949732 /nfs/dbraw/zinc/94/97/32/1092949732.db2.gz UPIAKICTDMMTPO-UHFFFAOYSA-N -1 3 342.447 2.967 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588486713 1092950095 /nfs/dbraw/zinc/95/00/95/1092950095.db2.gz JIFOBIACPMEMBG-UHFFFAOYSA-N -1 3 340.431 2.884 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588486713 1092950105 /nfs/dbraw/zinc/95/01/05/1092950105.db2.gz JIFOBIACPMEMBG-UHFFFAOYSA-N -1 3 340.431 2.884 20 30 EFEDHM C=CC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC001588482177 1092950606 /nfs/dbraw/zinc/95/06/06/1092950606.db2.gz RTGZCHAEBLDNQK-UHFFFAOYSA-N -1 3 338.314 2.724 20 30 EFEDHM C=CC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC001588482177 1092950609 /nfs/dbraw/zinc/95/06/09/1092950609.db2.gz RTGZCHAEBLDNQK-UHFFFAOYSA-N -1 3 338.314 2.724 20 30 EFEDHM C=C[C@@H](CC)CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001588525581 1092951447 /nfs/dbraw/zinc/95/14/47/1092951447.db2.gz IRDPGXUSAFTZSU-NSHDSACASA-N -1 3 326.404 2.681 20 30 EFEDHM C=C[C@@H](CC)CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001588525581 1092951456 /nfs/dbraw/zinc/95/14/56/1092951456.db2.gz IRDPGXUSAFTZSU-NSHDSACASA-N -1 3 326.404 2.681 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588493628 1092951580 /nfs/dbraw/zinc/95/15/80/1092951580.db2.gz IVNXHNLPADUBLK-QGZVFWFLSA-N -1 3 346.410 2.526 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588493628 1092951589 /nfs/dbraw/zinc/95/15/89/1092951589.db2.gz IVNXHNLPADUBLK-QGZVFWFLSA-N -1 3 346.410 2.526 20 30 EFEDHM C=CC(C)(C)CNc1ccc(-c2nn[n-]n2)cc1COCCOC ZINC001588488709 1092951775 /nfs/dbraw/zinc/95/17/75/1092951775.db2.gz NNENUPFPMNWGCJ-UHFFFAOYSA-N -1 3 331.420 2.654 20 30 EFEDHM C=C[C@@H](C)ONC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588518773 1092952057 /nfs/dbraw/zinc/95/20/57/1092952057.db2.gz KXTVMBYYLGZHEV-MRVPVSSYSA-N -1 3 329.385 2.626 20 30 EFEDHM C=C[C@@H](C)ONC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588518773 1092952066 /nfs/dbraw/zinc/95/20/66/1092952066.db2.gz KXTVMBYYLGZHEV-MRVPVSSYSA-N -1 3 329.385 2.626 20 30 EFEDHM C=C[C@@H](CC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001588518502 1092952088 /nfs/dbraw/zinc/95/20/88/1092952088.db2.gz DSRFPCQYTQMMKM-LBPRGKRZSA-N -1 3 339.424 2.904 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588520365 1092952323 /nfs/dbraw/zinc/95/23/23/1092952323.db2.gz ARIKAZLXSIZCOF-ZDUSSCGKSA-N -1 3 327.432 2.906 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588520365 1092952333 /nfs/dbraw/zinc/95/23/33/1092952333.db2.gz ARIKAZLXSIZCOF-ZDUSSCGKSA-N -1 3 327.432 2.906 20 30 EFEDHM C=C[C@](C)(CC)c1nnc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588496160 1092953059 /nfs/dbraw/zinc/95/30/59/1092953059.db2.gz OHNXPKUNXIIKLE-MRXNPFEDSA-N -1 3 326.360 2.682 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588494955 1092953085 /nfs/dbraw/zinc/95/30/85/1092953085.db2.gz ZGCITXZSABEWEJ-INIZCTEOSA-N -1 3 331.445 2.807 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588494955 1092953092 /nfs/dbraw/zinc/95/30/92/1092953092.db2.gz ZGCITXZSABEWEJ-INIZCTEOSA-N -1 3 331.445 2.807 20 30 EFEDHM C=CC(C)(C)CC(=O)N[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588488262 1092953108 /nfs/dbraw/zinc/95/31/08/1092953108.db2.gz YZAJRVBMIFJDTP-LLVKDONJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=CC(C)(C)CC(=O)N[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588488262 1092953111 /nfs/dbraw/zinc/95/31/11/1092953111.db2.gz YZAJRVBMIFJDTP-LLVKDONJSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@H](C)ONC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588518774 1092953187 /nfs/dbraw/zinc/95/31/87/1092953187.db2.gz KXTVMBYYLGZHEV-QMMMGPOBSA-N -1 3 329.385 2.626 20 30 EFEDHM C=C[C@H](C)ONC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588518774 1092953193 /nfs/dbraw/zinc/95/31/93/1092953193.db2.gz KXTVMBYYLGZHEV-QMMMGPOBSA-N -1 3 329.385 2.626 20 30 EFEDHM C=CC[C@H](C=C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588539270 1092955449 /nfs/dbraw/zinc/95/54/49/1092955449.db2.gz DQUWMCYKRYZOTQ-HOTGVXAUSA-N -1 3 339.399 2.509 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588539312 1092955522 /nfs/dbraw/zinc/95/55/22/1092955522.db2.gz GLNZYDXMFACZAK-LBPRGKRZSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588539312 1092955530 /nfs/dbraw/zinc/95/55/30/1092955530.db2.gz GLNZYDXMFACZAK-LBPRGKRZSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588541843 1092957165 /nfs/dbraw/zinc/95/71/65/1092957165.db2.gz TVYMZLRISZXHAT-OAHLLOKOSA-N -1 3 342.447 2.842 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588541843 1092957175 /nfs/dbraw/zinc/95/71/75/1092957175.db2.gz TVYMZLRISZXHAT-OAHLLOKOSA-N -1 3 342.447 2.842 20 30 EFEDHM C=CCC1(CNC(=O)Nc2cc(C)c(-c3nnn[n-]3)cn2)CCCC1 ZINC001588557144 1092957689 /nfs/dbraw/zinc/95/76/89/1092957689.db2.gz HIIHMLVVXKQXSK-UHFFFAOYSA-N -1 3 341.419 2.828 20 30 EFEDHM C=CCC1(CNC(=O)Nc2cc(C)c(-c3nn[n-]n3)cn2)CCCC1 ZINC001588557144 1092957703 /nfs/dbraw/zinc/95/77/03/1092957703.db2.gz HIIHMLVVXKQXSK-UHFFFAOYSA-N -1 3 341.419 2.828 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC001588545842 1092958665 /nfs/dbraw/zinc/95/86/65/1092958665.db2.gz PITMYZDHRRVAJG-UHFFFAOYSA-N -1 3 336.346 2.839 20 30 EFEDHM C=CCC1(C(=O)OCc2ccc(C)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001588556640 1092959169 /nfs/dbraw/zinc/95/91/69/1092959169.db2.gz POVLQAHKRZDKJD-UHFFFAOYSA-N -1 3 342.399 2.591 20 30 EFEDHM C=CCC1(C(=O)OCc2ccc(C)c(-c3nn[n-]n3)c2)CCOCC1 ZINC001588556640 1092959176 /nfs/dbraw/zinc/95/91/76/1092959176.db2.gz POVLQAHKRZDKJD-UHFFFAOYSA-N -1 3 342.399 2.591 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001588558554 1092959528 /nfs/dbraw/zinc/95/95/28/1092959528.db2.gz AJEOTEJOZWBYRS-AWEZNQCLSA-N -1 3 337.427 2.713 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001588558554 1092959542 /nfs/dbraw/zinc/95/95/42/1092959542.db2.gz AJEOTEJOZWBYRS-AWEZNQCLSA-N -1 3 337.427 2.713 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588560574 1092961083 /nfs/dbraw/zinc/96/10/83/1092961083.db2.gz SJPIMHREUCLAEQ-NSHDSACASA-N -1 3 331.807 2.948 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588560574 1092961093 /nfs/dbraw/zinc/96/10/93/1092961093.db2.gz SJPIMHREUCLAEQ-NSHDSACASA-N -1 3 331.807 2.948 20 30 EFEDHM C=CC[C@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001588561283 1092962247 /nfs/dbraw/zinc/96/22/47/1092962247.db2.gz YYMCESZAZZQRGV-JTQLQIEISA-N -1 3 332.339 2.707 20 30 EFEDHM C=CC[C@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001588561283 1092962252 /nfs/dbraw/zinc/96/22/52/1092962252.db2.gz YYMCESZAZZQRGV-JTQLQIEISA-N -1 3 332.339 2.707 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588564393 1092962775 /nfs/dbraw/zinc/96/27/75/1092962775.db2.gz MVPMFIQMCVLJSA-VIFPVBQESA-N -1 3 338.198 2.964 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588564393 1092962785 /nfs/dbraw/zinc/96/27/85/1092962785.db2.gz MVPMFIQMCVLJSA-VIFPVBQESA-N -1 3 338.198 2.964 20 30 EFEDHM C=CC[C@H]1N(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1(C)C ZINC001588564167 1092962877 /nfs/dbraw/zinc/96/28/77/1092962877.db2.gz JPQLBKDSNKKILO-CYBMUJFWSA-N -1 3 341.419 2.860 20 30 EFEDHM C=CC[C@H]1N(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1(C)C ZINC001588564167 1092962883 /nfs/dbraw/zinc/96/28/83/1092962883.db2.gz JPQLBKDSNKKILO-CYBMUJFWSA-N -1 3 341.419 2.860 20 30 EFEDHM C=CC[C@@H]1N(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1(C)C ZINC001588564168 1092963166 /nfs/dbraw/zinc/96/31/66/1092963166.db2.gz JPQLBKDSNKKILO-ZDUSSCGKSA-N -1 3 341.419 2.860 20 30 EFEDHM C=CC[C@@H]1N(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1(C)C ZINC001588564168 1092963174 /nfs/dbraw/zinc/96/31/74/1092963174.db2.gz JPQLBKDSNKKILO-ZDUSSCGKSA-N -1 3 341.419 2.860 20 30 EFEDHM C=CCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588593817 1092963519 /nfs/dbraw/zinc/96/35/19/1092963519.db2.gz HCNQORFQBRQFSC-UHFFFAOYSA-N -1 3 336.193 2.924 20 30 EFEDHM C=CCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588593817 1092963528 /nfs/dbraw/zinc/96/35/28/1092963528.db2.gz HCNQORFQBRQFSC-UHFFFAOYSA-N -1 3 336.193 2.924 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588595083 1092967759 /nfs/dbraw/zinc/96/77/59/1092967759.db2.gz XYZKCVASCSEHJM-ZDUSSCGKSA-N -1 3 328.420 2.719 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588595083 1092967769 /nfs/dbraw/zinc/96/77/69/1092967769.db2.gz XYZKCVASCSEHJM-ZDUSSCGKSA-N -1 3 328.420 2.719 20 30 EFEDHM C=CCCCCCCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588593808 1092967959 /nfs/dbraw/zinc/96/79/59/1092967959.db2.gz JGMMMYHRAQIVPZ-UHFFFAOYSA-N -1 3 346.410 2.942 20 30 EFEDHM C=CCCCCCCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588593808 1092967967 /nfs/dbraw/zinc/96/79/67/1092967967.db2.gz JGMMMYHRAQIVPZ-UHFFFAOYSA-N -1 3 346.410 2.942 20 30 EFEDHM C=CCN(C(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1)C(C)C ZINC001588625779 1092969879 /nfs/dbraw/zinc/96/98/79/1092969879.db2.gz QEGQQVJUFOCFPE-UHFFFAOYSA-N -1 3 338.371 2.558 20 30 EFEDHM C=CCN(C(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1)C(C)C ZINC001588625779 1092969886 /nfs/dbraw/zinc/96/98/86/1092969886.db2.gz QEGQQVJUFOCFPE-UHFFFAOYSA-N -1 3 338.371 2.558 20 30 EFEDHM C=CCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588609605 1092970518 /nfs/dbraw/zinc/97/05/18/1092970518.db2.gz RVUJDPJUMULHSU-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588609605 1092970526 /nfs/dbraw/zinc/97/05/26/1092970526.db2.gz RVUJDPJUMULHSU-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CCN(CCC#N)c1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588632539 1092971605 /nfs/dbraw/zinc/97/16/05/1092971605.db2.gz VHQNFRWIUXYULW-UHFFFAOYSA-N -1 3 333.193 2.535 20 30 EFEDHM C=CCN(CCC#N)c1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588632539 1092971615 /nfs/dbraw/zinc/97/16/15/1092971615.db2.gz VHQNFRWIUXYULW-UHFFFAOYSA-N -1 3 333.193 2.535 20 30 EFEDHM C=CCN(Cc1cc(-c2nnn[n-]2)ccc1Br)C1CC1 ZINC001588635511 1092972914 /nfs/dbraw/zinc/97/29/14/1092972914.db2.gz LQZGICOGKLWWPP-UHFFFAOYSA-N -1 3 334.221 2.780 20 30 EFEDHM C=CCN(Cc1cc(-c2nn[n-]n2)ccc1Br)C1CC1 ZINC001588635511 1092972924 /nfs/dbraw/zinc/97/29/24/1092972924.db2.gz LQZGICOGKLWWPP-UHFFFAOYSA-N -1 3 334.221 2.780 20 30 EFEDHM C=CCN(CC=C)c1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001588632049 1092973324 /nfs/dbraw/zinc/97/33/24/1092973324.db2.gz QZFNRUCUCVCAEY-UHFFFAOYSA-N -1 3 335.371 2.627 20 30 EFEDHM C=CCN(CC=C)c1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001588632049 1092973335 /nfs/dbraw/zinc/97/33/35/1092973335.db2.gz QZFNRUCUCVCAEY-UHFFFAOYSA-N -1 3 335.371 2.627 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccccc1C ZINC001588640645 1092973516 /nfs/dbraw/zinc/97/35/16/1092973516.db2.gz WGCGDXFPWYCTLG-UHFFFAOYSA-N -1 3 347.422 2.932 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccccc1C ZINC001588640645 1092973521 /nfs/dbraw/zinc/97/35/21/1092973521.db2.gz WGCGDXFPWYCTLG-UHFFFAOYSA-N -1 3 347.422 2.932 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccs1 ZINC001588647946 1092974614 /nfs/dbraw/zinc/97/46/14/1092974614.db2.gz GWDAKRQCMYDVCJ-UHFFFAOYSA-N -1 3 325.397 2.757 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccs1 ZINC001588647946 1092974621 /nfs/dbraw/zinc/97/46/21/1092974621.db2.gz GWDAKRQCMYDVCJ-UHFFFAOYSA-N -1 3 325.397 2.757 20 30 EFEDHM C=CCN(Cc1csc(C#N)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652301 1092976606 /nfs/dbraw/zinc/97/66/06/1092976606.db2.gz SAACYXHQIHFHNQ-UHFFFAOYSA-N -1 3 336.424 2.988 20 30 EFEDHM C=CCN(Cc1ccccc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588653722 1092976818 /nfs/dbraw/zinc/97/68/18/1092976818.db2.gz VVKOHEQPZIUGLN-UHFFFAOYSA-N -1 3 336.355 2.968 20 30 EFEDHM C=CCO[C@@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC001588665387 1092977590 /nfs/dbraw/zinc/97/75/90/1092977590.db2.gz KHOSYVGNJORJMH-LLVKDONJSA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCO[C@@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC001588665387 1092977598 /nfs/dbraw/zinc/97/75/98/1092977598.db2.gz KHOSYVGNJORJMH-LLVKDONJSA-N -1 3 339.321 2.667 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588718272 1092979545 /nfs/dbraw/zinc/97/95/45/1092979545.db2.gz FMMVSYAOKFUDMW-NEPJUHHUSA-N -1 3 328.401 2.622 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588718272 1092979560 /nfs/dbraw/zinc/97/95/60/1092979560.db2.gz FMMVSYAOKFUDMW-NEPJUHHUSA-N -1 3 328.401 2.622 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001588689755 1092981734 /nfs/dbraw/zinc/98/17/34/1092981734.db2.gz MAAMNBLFKYKSGD-UHFFFAOYSA-N -1 3 328.353 2.712 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001588689755 1092981739 /nfs/dbraw/zinc/98/17/39/1092981739.db2.gz MAAMNBLFKYKSGD-UHFFFAOYSA-N -1 3 328.353 2.712 20 30 EFEDHM CC#CCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001588747510 1092982561 /nfs/dbraw/zinc/98/25/61/1092982561.db2.gz KABBKFKENLCKAF-UHFFFAOYSA-N -1 3 347.378 2.754 20 30 EFEDHM CC#CCN(C)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001588747510 1092982570 /nfs/dbraw/zinc/98/25/70/1092982570.db2.gz KABBKFKENLCKAF-UHFFFAOYSA-N -1 3 347.378 2.754 20 30 EFEDHM CC#CCCCCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588746749 1092982993 /nfs/dbraw/zinc/98/29/93/1092982993.db2.gz VTKYCKUWLGVPJQ-UHFFFAOYSA-N -1 3 342.399 2.761 20 30 EFEDHM CC#CCCCCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588746749 1092983007 /nfs/dbraw/zinc/98/30/07/1092983007.db2.gz VTKYCKUWLGVPJQ-UHFFFAOYSA-N -1 3 342.399 2.761 20 30 EFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001588780776 1092991687 /nfs/dbraw/zinc/99/16/87/1092991687.db2.gz NSUDSSVKCDSNRE-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001588780776 1092991694 /nfs/dbraw/zinc/99/16/94/1092991694.db2.gz NSUDSSVKCDSNRE-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM CC(=NOCc1cccnc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588782889 1092993478 /nfs/dbraw/zinc/99/34/78/1092993478.db2.gz YXWNZGRBQNDFLF-UHFFFAOYSA-N -1 3 328.763 2.856 20 30 EFEDHM CC(=NOCc1cccnc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588782889 1092993492 /nfs/dbraw/zinc/99/34/92/1092993492.db2.gz YXWNZGRBQNDFLF-UHFFFAOYSA-N -1 3 328.763 2.856 20 30 EFEDHM CC(=NN[C@H](C)COc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001588776386 1092993582 /nfs/dbraw/zinc/99/35/82/1092993582.db2.gz KUYAZPLXCBPCPV-CYBMUJFWSA-N -1 3 336.399 2.648 20 30 EFEDHM CC(=NN[C@H](C)COc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001588776386 1092993593 /nfs/dbraw/zinc/99/35/93/1092993593.db2.gz KUYAZPLXCBPCPV-CYBMUJFWSA-N -1 3 336.399 2.648 20 30 EFEDHM CC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(N)c1 ZINC001588780607 1092993758 /nfs/dbraw/zinc/99/37/58/1092993758.db2.gz HHBTTXDHZSZYCS-UHFFFAOYSA-N -1 3 327.779 2.938 20 30 EFEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1cc(C#N)ccc1F ZINC001588918579 1093011723 /nfs/dbraw/zinc/01/17/23/1093011723.db2.gz KIUJITBESYEWOM-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1cc(C#N)ccc1F ZINC001588918579 1093011730 /nfs/dbraw/zinc/01/17/30/1093011730.db2.gz KIUJITBESYEWOM-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1cc(-c2nnn[n-]2)ccc1F ZINC001588919604 1093014217 /nfs/dbraw/zinc/01/42/17/1093014217.db2.gz DXMYNUBERZRSGW-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1cc(-c2nn[n-]n2)ccc1F ZINC001588919604 1093014226 /nfs/dbraw/zinc/01/42/26/1093014226.db2.gz DXMYNUBERZRSGW-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001589033930 1093018876 /nfs/dbraw/zinc/01/88/76/1093018876.db2.gz MHIINXDPGXIWBV-UHFFFAOYSA-N -1 3 343.387 2.509 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001589033930 1093018883 /nfs/dbraw/zinc/01/88/83/1093018883.db2.gz MHIINXDPGXIWBV-UHFFFAOYSA-N -1 3 343.387 2.509 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001589034133 1093018977 /nfs/dbraw/zinc/01/89/77/1093018977.db2.gz RSHNUKAVYPHNBA-UHFFFAOYSA-N -1 3 338.371 2.835 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001589034133 1093018982 /nfs/dbraw/zinc/01/89/82/1093018982.db2.gz RSHNUKAVYPHNBA-UHFFFAOYSA-N -1 3 338.371 2.835 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589034151 1093020023 /nfs/dbraw/zinc/02/00/23/1093020023.db2.gz SGTWHXJGBHMOOD-HJWRWDBZSA-N -1 3 325.372 2.753 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589034151 1093020028 /nfs/dbraw/zinc/02/00/28/1093020028.db2.gz SGTWHXJGBHMOOD-HJWRWDBZSA-N -1 3 325.372 2.753 20 30 EFEDHM CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001589086311 1093028040 /nfs/dbraw/zinc/02/80/40/1093028040.db2.gz YFSFZZILZIGDOJ-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001589086311 1093028048 /nfs/dbraw/zinc/02/80/48/1093028048.db2.gz YFSFZZILZIGDOJ-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589129641 1093037348 /nfs/dbraw/zinc/03/73/48/1093037348.db2.gz XFBRIIGWWJVXTF-UHFFFAOYSA-N -1 3 346.822 2.922 20 30 EFEDHM CC(C)(C)CN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589129641 1093037358 /nfs/dbraw/zinc/03/73/58/1093037358.db2.gz XFBRIIGWWJVXTF-UHFFFAOYSA-N -1 3 346.822 2.922 20 30 EFEDHM CC(C)(C)Oc1ccc(NC(=O)C(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001589201322 1093046583 /nfs/dbraw/zinc/04/65/83/1093046583.db2.gz HFRBPHDNBJDMNB-UHFFFAOYSA-N -1 3 328.376 2.532 20 30 EFEDHM CC(C)(C)Oc1ccc(NC(=O)C(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001589201322 1093046590 /nfs/dbraw/zinc/04/65/90/1093046590.db2.gz HFRBPHDNBJDMNB-UHFFFAOYSA-N -1 3 328.376 2.532 20 30 EFEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCC#C[Si](C)(C)C)n1 ZINC001589221302 1093051412 /nfs/dbraw/zinc/05/14/12/1093051412.db2.gz KZDPSCOSMKBLGY-UHFFFAOYSA-N -1 3 328.496 2.852 20 30 EFEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCC#C[Si](C)(C)C)n1 ZINC001589221302 1093051417 /nfs/dbraw/zinc/05/14/17/1093051417.db2.gz KZDPSCOSMKBLGY-UHFFFAOYSA-N -1 3 328.496 2.852 20 30 EFEDHM CC(C)(C)c1n[nH]cc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001589238027 1093055335 /nfs/dbraw/zinc/05/53/35/1093055335.db2.gz LONXDGBXEFCHDJ-KPKJPENVSA-N -1 3 334.383 2.710 20 30 EFEDHM CC(C)(CCC#N)CNc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001589273113 1093061924 /nfs/dbraw/zinc/06/19/24/1093061924.db2.gz VTWZCDWHNGTJJW-UHFFFAOYSA-N -1 3 336.403 2.794 20 30 EFEDHM CC(C)(CCC#N)CNc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC001589273113 1093061934 /nfs/dbraw/zinc/06/19/34/1093061934.db2.gz VTWZCDWHNGTJJW-UHFFFAOYSA-N -1 3 336.403 2.794 20 30 EFEDHM CC(C)(CCSc1nc(N)c(-c2nnn[n-]2)cc1C#N)C1CC1 ZINC001589276093 1093062981 /nfs/dbraw/zinc/06/29/81/1093062981.db2.gz PADVQPDVDHGFPQ-UHFFFAOYSA-N -1 3 329.433 2.634 20 30 EFEDHM CC(C)(CCSc1nc(N)c(-c2nn[n-]n2)cc1C#N)C1CC1 ZINC001589276093 1093062990 /nfs/dbraw/zinc/06/29/90/1093062990.db2.gz PADVQPDVDHGFPQ-UHFFFAOYSA-N -1 3 329.433 2.634 20 30 EFEDHM CC(C)(CCSc1nc(N)c(C#N)cc1-c1nnn[n-]1)C1CC1 ZINC001589275676 1093063068 /nfs/dbraw/zinc/06/30/68/1093063068.db2.gz GKDAZCYYCWQAPZ-UHFFFAOYSA-N -1 3 329.433 2.634 20 30 EFEDHM CC(C)(CCSc1nc(N)c(C#N)cc1-c1nn[n-]n1)C1CC1 ZINC001589275676 1093063077 /nfs/dbraw/zinc/06/30/77/1093063077.db2.gz GKDAZCYYCWQAPZ-UHFFFAOYSA-N -1 3 329.433 2.634 20 30 EFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC[C@H](C#N)CCC#N ZINC001589754211 1093133921 /nfs/dbraw/zinc/13/39/21/1093133921.db2.gz HKQRAZRODPWNQV-LBPRGKRZSA-N -1 3 325.376 2.509 20 30 EFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC[C@H](C#N)CCC#N ZINC001589754211 1093133925 /nfs/dbraw/zinc/13/39/25/1093133925.db2.gz HKQRAZRODPWNQV-LBPRGKRZSA-N -1 3 325.376 2.509 20 30 EFEDHM CC(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nc1 ZINC001589768169 1093138825 /nfs/dbraw/zinc/13/88/25/1093138825.db2.gz NUWGUSVQLOEOTN-UHFFFAOYSA-N -1 3 333.355 2.509 20 30 EFEDHM CC(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nc1 ZINC001589768169 1093138832 /nfs/dbraw/zinc/13/88/32/1093138832.db2.gz NUWGUSVQLOEOTN-UHFFFAOYSA-N -1 3 333.355 2.509 20 30 EFEDHM C[C@H](CC#N)N(C)C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001589786798 1093146444 /nfs/dbraw/zinc/14/64/44/1093146444.db2.gz DOITZPZUWUJEGC-SECBINFHSA-N -1 3 347.448 2.992 20 30 EFEDHM C[C@H](CC#N)N(C)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001589786798 1093146449 /nfs/dbraw/zinc/14/64/49/1093146449.db2.gz DOITZPZUWUJEGC-SECBINFHSA-N -1 3 347.448 2.992 20 30 EFEDHM C[C@@H](CC#N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001589788530 1093149286 /nfs/dbraw/zinc/14/92/86/1093149286.db2.gz XRQYHZYFCPIMNX-QMMMGPOBSA-N -1 3 330.417 2.640 20 30 EFEDHM C[C@@H](CC#N)C(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001589788530 1093149294 /nfs/dbraw/zinc/14/92/94/1093149294.db2.gz XRQYHZYFCPIMNX-QMMMGPOBSA-N -1 3 330.417 2.640 20 30 EFEDHM C[C@H](COC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001589883386 1093165008 /nfs/dbraw/zinc/16/50/08/1093165008.db2.gz DPPRPBFWTFFIPP-DOMZBBRYSA-N -1 3 341.415 2.774 20 30 EFEDHM C[C@H](COC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001589883386 1093165010 /nfs/dbraw/zinc/16/50/10/1093165010.db2.gz DPPRPBFWTFFIPP-DOMZBBRYSA-N -1 3 341.415 2.774 20 30 EFEDHM C[C@H](NC(=O)Nc1cccc(CC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589936296 1093185023 /nfs/dbraw/zinc/18/50/23/1093185023.db2.gz JAADPNHSEWXVJG-LBPRGKRZSA-N -1 3 347.382 2.815 20 30 EFEDHM C[C@H](NC(=O)Nc1cccc(CC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589936296 1093185028 /nfs/dbraw/zinc/18/50/28/1093185028.db2.gz JAADPNHSEWXVJG-LBPRGKRZSA-N -1 3 347.382 2.815 20 30 EFEDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001589981069 1093208157 /nfs/dbraw/zinc/20/81/57/1093208157.db2.gz HPGBMNFFUWEKBN-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001589981069 1093208163 /nfs/dbraw/zinc/20/81/63/1093208163.db2.gz HPGBMNFFUWEKBN-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC001590012655 1093221687 /nfs/dbraw/zinc/22/16/87/1093221687.db2.gz DCZTWGHIDNUWLC-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC001590012655 1093221692 /nfs/dbraw/zinc/22/16/92/1093221692.db2.gz DCZTWGHIDNUWLC-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(C)(C)CCC#N ZINC001590023267 1093225362 /nfs/dbraw/zinc/22/53/62/1093225362.db2.gz UMZCAVKPZTXIRD-LBPRGKRZSA-N -1 3 343.387 2.507 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590048464 1093242605 /nfs/dbraw/zinc/24/26/05/1093242605.db2.gz HWJQKIAJXIIIDF-LBPRGKRZSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590048464 1093242613 /nfs/dbraw/zinc/24/26/13/1093242613.db2.gz HWJQKIAJXIIIDF-LBPRGKRZSA-N -1 3 332.367 2.572 20 30 EFEDHM CC1(C#N)CN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)C1 ZINC001590056792 1093250438 /nfs/dbraw/zinc/25/04/38/1093250438.db2.gz SXWLGPNJHUCGNJ-UHFFFAOYSA-N -1 3 344.378 2.519 20 30 EFEDHM CC1(C#N)CN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)C1 ZINC001590056792 1093250444 /nfs/dbraw/zinc/25/04/44/1093250444.db2.gz SXWLGPNJHUCGNJ-UHFFFAOYSA-N -1 3 344.378 2.519 20 30 EFEDHM C[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H](C)O1 ZINC001590181882 1093295627 /nfs/dbraw/zinc/29/56/27/1093295627.db2.gz VCOKSYNUKOEKIU-HTQZYQBOSA-N -1 3 340.309 2.851 20 30 EFEDHM C[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H](C)O1 ZINC001590181882 1093295633 /nfs/dbraw/zinc/29/56/33/1093295633.db2.gz VCOKSYNUKOEKIU-HTQZYQBOSA-N -1 3 340.309 2.851 20 30 EFEDHM C[C@H]1C[C@@H]1CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001590218492 1093308547 /nfs/dbraw/zinc/30/85/47/1093308547.db2.gz GXOHZUFRHNPXSO-NWDGAFQWSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@H]1C[C@@H]1CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001590218492 1093308554 /nfs/dbraw/zinc/30/85/54/1093308554.db2.gz GXOHZUFRHNPXSO-NWDGAFQWSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@H]1C[C@H]1CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001590218493 1093308815 /nfs/dbraw/zinc/30/88/15/1093308815.db2.gz GXOHZUFRHNPXSO-RYUDHWBXSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@H]1C[C@H]1CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001590218493 1093308819 /nfs/dbraw/zinc/30/88/19/1093308819.db2.gz GXOHZUFRHNPXSO-RYUDHWBXSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@H]1OCC(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)[C@H]1C ZINC001590334629 1093381990 /nfs/dbraw/zinc/38/19/90/1093381990.db2.gz LAFMRNXMPSTREJ-JGVFFNPUSA-N -1 3 340.309 2.708 20 30 EFEDHM C[C@H]1OCC(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)[C@H]1C ZINC001590334629 1093382000 /nfs/dbraw/zinc/38/20/00/1093382000.db2.gz LAFMRNXMPSTREJ-JGVFFNPUSA-N -1 3 340.309 2.708 20 30 EFEDHM CCC(C#N)(CC)C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC001590367286 1093393817 /nfs/dbraw/zinc/39/38/17/1093393817.db2.gz KRHSOWPEIAUNJU-LBPRGKRZSA-N -1 3 343.387 2.507 20 30 EFEDHM CCC(C#N)(CC)C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC001590367286 1093393828 /nfs/dbraw/zinc/39/38/28/1093393828.db2.gz KRHSOWPEIAUNJU-LBPRGKRZSA-N -1 3 343.387 2.507 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001590372394 1093395619 /nfs/dbraw/zinc/39/56/19/1093395619.db2.gz UWPFPCSEBDKWAG-ZDUSSCGKSA-N -1 3 349.192 2.508 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001590372394 1093395623 /nfs/dbraw/zinc/39/56/23/1093395623.db2.gz UWPFPCSEBDKWAG-ZDUSSCGKSA-N -1 3 349.192 2.508 20 30 EFEDHM CC[C@H](C)Oc1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)ccn1 ZINC001590416004 1093410842 /nfs/dbraw/zinc/41/08/42/1093410842.db2.gz FOLGXRFXZSBDEF-LBPRGKRZSA-N -1 3 349.398 2.923 20 30 EFEDHM CC[C@H](C)Oc1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)ccn1 ZINC001590416004 1093410847 /nfs/dbraw/zinc/41/08/47/1093410847.db2.gz FOLGXRFXZSBDEF-LBPRGKRZSA-N -1 3 349.398 2.923 20 30 EFEDHM CC[C@@H](CC#N)OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001590420047 1093413071 /nfs/dbraw/zinc/41/30/71/1093413071.db2.gz UIJDXDHOKADUGY-WFASDCNBSA-N -1 3 343.387 2.506 20 30 EFEDHM CC[C@@H](CC#N)OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001590420047 1093413074 /nfs/dbraw/zinc/41/30/74/1093413074.db2.gz UIJDXDHOKADUGY-WFASDCNBSA-N -1 3 343.387 2.506 20 30 EFEDHM CCCCCCCCOCC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001590592486 1093502913 /nfs/dbraw/zinc/50/29/13/1093502913.db2.gz URJVVDYZFPZKSW-UHFFFAOYSA-N -1 3 346.435 2.886 20 30 EFEDHM CCCCCCCCOCC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001590592486 1093502921 /nfs/dbraw/zinc/50/29/21/1093502921.db2.gz URJVVDYZFPZKSW-UHFFFAOYSA-N -1 3 346.435 2.886 20 30 EFEDHM CCCCCCCC(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001590593113 1093506436 /nfs/dbraw/zinc/50/64/36/1093506436.db2.gz XDDOGBVHGNOQLE-UHFFFAOYSA-N -1 3 348.476 2.756 20 30 EFEDHM CCCCCCCC(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001590593113 1093506442 /nfs/dbraw/zinc/50/64/42/1093506442.db2.gz XDDOGBVHGNOQLE-UHFFFAOYSA-N -1 3 348.476 2.756 20 30 EFEDHM CCN(C(=O)c1cc(C#N)ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590673482 1093542122 /nfs/dbraw/zinc/54/21/22/1093542122.db2.gz DLSMFOMXKZYAOH-UHFFFAOYSA-N -1 3 332.367 2.714 20 30 EFEDHM CCN(C(=O)c1cc(C#N)ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590673482 1093542133 /nfs/dbraw/zinc/54/21/33/1093542133.db2.gz DLSMFOMXKZYAOH-UHFFFAOYSA-N -1 3 332.367 2.714 20 30 EFEDHM CCN(C(=O)c1coc(C#N)c1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590676439 1093544761 /nfs/dbraw/zinc/54/47/61/1093544761.db2.gz NWRSHHSLFUUEIA-NSHDSACASA-N -1 3 336.355 2.555 20 30 EFEDHM CCN(C(=O)c1coc(C#N)c1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590676439 1093544765 /nfs/dbraw/zinc/54/47/65/1093544765.db2.gz NWRSHHSLFUUEIA-NSHDSACASA-N -1 3 336.355 2.555 20 30 EFEDHM CCN(CCNc1c(C#N)cccc1-c1nnn[n-]1)c1cccc(C)c1 ZINC001590710816 1093553686 /nfs/dbraw/zinc/55/36/86/1093553686.db2.gz FSVBMGAIEOUABZ-UHFFFAOYSA-N -1 3 347.426 2.985 20 30 EFEDHM CCN(CCNc1c(C#N)cccc1-c1nn[n-]n1)c1cccc(C)c1 ZINC001590710816 1093553692 /nfs/dbraw/zinc/55/36/92/1093553692.db2.gz FSVBMGAIEOUABZ-UHFFFAOYSA-N -1 3 347.426 2.985 20 30 EFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)cc1C ZINC001590747217 1093561002 /nfs/dbraw/zinc/56/10/02/1093561002.db2.gz HEPKMELVHOXOHQ-UHFFFAOYSA-N -1 3 347.382 2.731 20 30 EFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C#N)(CC)CC ZINC001590827729 1093585352 /nfs/dbraw/zinc/58/53/52/1093585352.db2.gz DQIJSVCJPMYUGX-UHFFFAOYSA-N -1 3 328.376 2.534 20 30 EFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C#N)(CC)CC ZINC001590827729 1093585359 /nfs/dbraw/zinc/58/53/59/1093585359.db2.gz DQIJSVCJPMYUGX-UHFFFAOYSA-N -1 3 328.376 2.534 20 30 EFEDHM CCOc1ccc(C=Nc2cc(-c3nn[n-]n3)ccc2OC)c(O)c1 ZINC001590835704 1093589443 /nfs/dbraw/zinc/58/94/43/1093589443.db2.gz QKBYAJCGNHFXFO-UHFFFAOYSA-N -1 3 339.355 2.730 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590877779 1093611016 /nfs/dbraw/zinc/61/10/16/1093611016.db2.gz COWRJXSDPWWKCO-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590877779 1093611019 /nfs/dbraw/zinc/61/10/19/1093611019.db2.gz COWRJXSDPWWKCO-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CCc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC ZINC001590877731 1093611325 /nfs/dbraw/zinc/61/13/25/1093611325.db2.gz BGYVNTZNBDOXJY-UHFFFAOYSA-N -1 3 335.367 2.888 20 30 EFEDHM CCc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)cc1OC ZINC001590877731 1093611327 /nfs/dbraw/zinc/61/13/27/1093611327.db2.gz BGYVNTZNBDOXJY-UHFFFAOYSA-N -1 3 335.367 2.888 20 30 EFEDHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001590993372 1093648983 /nfs/dbraw/zinc/64/89/83/1093648983.db2.gz ZIFBFAGEGFDLBB-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001590993372 1093648984 /nfs/dbraw/zinc/64/89/84/1093648984.db2.gz ZIFBFAGEGFDLBB-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(CC(C)(C)C#N)c1cc(Br)ccc1-c1nnn[n-]1 ZINC001591042560 1093656741 /nfs/dbraw/zinc/65/67/41/1093656741.db2.gz JJCVUXBKXNLZBN-UHFFFAOYSA-N -1 3 335.209 2.615 20 30 EFEDHM CN(CC(C)(C)C#N)c1cc(Br)ccc1-c1nn[n-]n1 ZINC001591042560 1093656744 /nfs/dbraw/zinc/65/67/44/1093656744.db2.gz JJCVUXBKXNLZBN-UHFFFAOYSA-N -1 3 335.209 2.615 20 30 EFEDHM CN(CCCOCc1ccccc1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591086647 1093661036 /nfs/dbraw/zinc/66/10/36/1093661036.db2.gz YFRKWZQQTDQEDJ-UHFFFAOYSA-N -1 3 348.410 2.781 20 30 EFEDHM CN(CCCOCc1ccccc1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591086647 1093661041 /nfs/dbraw/zinc/66/10/41/1093661041.db2.gz YFRKWZQQTDQEDJ-UHFFFAOYSA-N -1 3 348.410 2.781 20 30 EFEDHM CO[C@](C)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001591317514 1093689993 /nfs/dbraw/zinc/68/99/93/1093689993.db2.gz FMRQRONJEXFTME-GOSISDBHSA-N -1 3 334.383 2.712 20 30 EFEDHM CO[C@](C)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001591317514 1093689995 /nfs/dbraw/zinc/68/99/95/1093689995.db2.gz FMRQRONJEXFTME-GOSISDBHSA-N -1 3 334.383 2.712 20 30 EFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cccc(C#N)c1 ZINC001591480333 1093734907 /nfs/dbraw/zinc/73/49/07/1093734907.db2.gz WMSKNVGXPYYODY-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1cccc(C#N)c1 ZINC001591480333 1093734911 /nfs/dbraw/zinc/73/49/11/1093734911.db2.gz WMSKNVGXPYYODY-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C#N)C1CCCCC1 ZINC001591484757 1093736207 /nfs/dbraw/zinc/73/62/07/1093736207.db2.gz OBWRCVRYJVJCTD-OAHLLOKOSA-N -1 3 341.371 2.505 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C#N)C1CCCCC1 ZINC001591484757 1093736213 /nfs/dbraw/zinc/73/62/13/1093736213.db2.gz OBWRCVRYJVJCTD-OAHLLOKOSA-N -1 3 341.371 2.505 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001591494816 1093740976 /nfs/dbraw/zinc/74/09/76/1093740976.db2.gz PLFMUGBRTWHODD-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001591494816 1093740981 /nfs/dbraw/zinc/74/09/81/1093740981.db2.gz PLFMUGBRTWHODD-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc(OC)c1 ZINC001591522405 1093748874 /nfs/dbraw/zinc/74/88/74/1093748874.db2.gz IPBZHMGFYGMOKN-LHHJGKSTSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc(OC)c1 ZINC001591522405 1093748876 /nfs/dbraw/zinc/74/88/76/1093748876.db2.gz IPBZHMGFYGMOKN-LHHJGKSTSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc(C=C2Cc3ccc(C#N)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001591522842 1093752089 /nfs/dbraw/zinc/75/20/89/1093752089.db2.gz MRCSKYMODANGPV-MKMNVTDBSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1cc(C=C2Cc3ccc(C#N)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001591522842 1093752091 /nfs/dbraw/zinc/75/20/91/1093752091.db2.gz MRCSKYMODANGPV-MKMNVTDBSA-N -1 3 343.346 2.569 20 30 EFEDHM COc1cc(OCc2cc(Cl)cc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001591552956 1093764967 /nfs/dbraw/zinc/76/49/67/1093764967.db2.gz NHEPFFQYMFUXEY-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(OCc2cc(Cl)cc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001591552956 1093764972 /nfs/dbraw/zinc/76/49/72/1093764972.db2.gz NHEPFFQYMFUXEY-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(OCC#Cc2ccccc2Cl)cc(-c2nnn[n-]2)c1 ZINC001591552885 1093765104 /nfs/dbraw/zinc/76/51/04/1093765104.db2.gz YUJPGXZWWNFEDY-UHFFFAOYSA-N -1 3 340.770 2.959 20 30 EFEDHM COc1cc(OCC#Cc2ccccc2Cl)cc(-c2nn[n-]n2)c1 ZINC001591552885 1093765111 /nfs/dbraw/zinc/76/51/11/1093765111.db2.gz YUJPGXZWWNFEDY-UHFFFAOYSA-N -1 3 340.770 2.959 20 30 EFEDHM COc1ccc2ncc(-c3nnn[n-]3)c(N3CCC(CC#N)CC3)c2c1 ZINC001591631479 1093807680 /nfs/dbraw/zinc/80/76/80/1093807680.db2.gz UPRXLIATVJYDRA-UHFFFAOYSA-N -1 3 349.398 2.554 20 30 EFEDHM COc1ccc2ncc(-c3nn[n-]n3)c(N3CCC(CC#N)CC3)c2c1 ZINC001591631479 1093807690 /nfs/dbraw/zinc/80/76/90/1093807690.db2.gz UPRXLIATVJYDRA-UHFFFAOYSA-N -1 3 349.398 2.554 20 30 EFEDHM COc1cccc(N=NC(C)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001591641687 1093812397 /nfs/dbraw/zinc/81/23/97/1093812397.db2.gz PWTHDQIXZLDDQE-UHFFFAOYSA-N -1 3 343.778 2.760 20 30 EFEDHM C[C@@]1(C#N)CC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001591776514 1093856719 /nfs/dbraw/zinc/85/67/19/1093856719.db2.gz XYNOMYYJEVKJNA-AITUWYQGSA-N -1 3 329.335 2.635 20 30 EFEDHM C[C@@]1(C#N)CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001591776514 1093856724 /nfs/dbraw/zinc/85/67/24/1093856724.db2.gz XYNOMYYJEVKJNA-AITUWYQGSA-N -1 3 329.335 2.635 20 30 EFEDHM Cc1c(C(=O)N[C@H](C)c2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC001591805532 1093865442 /nfs/dbraw/zinc/86/54/42/1093865442.db2.gz JFZZKVYGRCNHKH-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1c(C(=O)N[C@H](C)c2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC001591805532 1093865451 /nfs/dbraw/zinc/86/54/51/1093865451.db2.gz JFZZKVYGRCNHKH-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(Cl)c2)cccc1-c1nnn[n-]1 ZINC001591813079 1093868902 /nfs/dbraw/zinc/86/89/02/1093868902.db2.gz XIUYLJFMLZBOPX-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(Cl)c2)cccc1-c1nn[n-]n1 ZINC001591813079 1093868909 /nfs/dbraw/zinc/86/89/09/1093868909.db2.gz XIUYLJFMLZBOPX-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(C#N)c(F)c2)c1-c1nnn[n-]1 ZINC001591821417 1093872093 /nfs/dbraw/zinc/87/20/93/1093872093.db2.gz HUTPGALVGOUETJ-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(C#N)c(F)c2)c1-c1nn[n-]n1 ZINC001591821417 1093872095 /nfs/dbraw/zinc/87/20/95/1093872095.db2.gz HUTPGALVGOUETJ-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1c(NN=C2CCc3ccc(-c4nnn[n-]4)cc32)cccc1[N+](=O)[O-] ZINC001591828784 1093876395 /nfs/dbraw/zinc/87/63/95/1093876395.db2.gz SHCWLMJFVMSAQY-UHFFFAOYSA-N -1 3 349.354 2.846 20 30 EFEDHM Cc1c(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)cccc1[N+](=O)[O-] ZINC001591828784 1093876402 /nfs/dbraw/zinc/87/64/02/1093876402.db2.gz SHCWLMJFVMSAQY-UHFFFAOYSA-N -1 3 349.354 2.846 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N(C)Cc1cccc(C#N)c1 ZINC001591837894 1093878158 /nfs/dbraw/zinc/87/81/58/1093878158.db2.gz QKUBTCGRVPMWLD-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N(C)Cc1cccc(C#N)c1 ZINC001591837894 1093878162 /nfs/dbraw/zinc/87/81/62/1093878162.db2.gz QKUBTCGRVPMWLD-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001591840500 1093879113 /nfs/dbraw/zinc/87/91/13/1093879113.db2.gz XZNYOGAQNSLFTQ-SREVYHEPSA-N -1 3 336.399 2.730 20 30 EFEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001591840500 1093879121 /nfs/dbraw/zinc/87/91/21/1093879121.db2.gz XZNYOGAQNSLFTQ-SREVYHEPSA-N -1 3 336.399 2.730 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1cc(F)cc(C#N)c1 ZINC001591839391 1093879493 /nfs/dbraw/zinc/87/94/93/1093879493.db2.gz RSNGOXPOFGTXDP-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1cc(F)cc(C#N)c1 ZINC001591839391 1093879498 /nfs/dbraw/zinc/87/94/98/1093879498.db2.gz RSNGOXPOFGTXDP-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC001591866790 1093902643 /nfs/dbraw/zinc/90/26/43/1093902643.db2.gz MSQAWQPBEWDRJN-UHFFFAOYSA-N -1 3 341.378 2.959 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC001591866790 1093902645 /nfs/dbraw/zinc/90/26/45/1093902645.db2.gz MSQAWQPBEWDRJN-UHFFFAOYSA-N -1 3 341.378 2.959 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001591906379 1093912903 /nfs/dbraw/zinc/91/29/03/1093912903.db2.gz FQEJMTYIEFPWFA-LBPRGKRZSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001591906379 1093912909 /nfs/dbraw/zinc/91/29/09/1093912909.db2.gz FQEJMTYIEFPWFA-LBPRGKRZSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(C(=O)N(C)c2cccc(C#N)c2)cc(C)c1-c1nnn[n-]1 ZINC001591908563 1093913625 /nfs/dbraw/zinc/91/36/25/1093913625.db2.gz FSOJNXHVLBKSJG-UHFFFAOYSA-N -1 3 332.367 2.632 20 30 EFEDHM Cc1cc(C(=O)N(C)c2cccc(C#N)c2)cc(C)c1-c1nn[n-]n1 ZINC001591908563 1093913631 /nfs/dbraw/zinc/91/36/31/1093913631.db2.gz FSOJNXHVLBKSJG-UHFFFAOYSA-N -1 3 332.367 2.632 20 30 EFEDHM Cc1cc(C(=O)Nc2cccc(C#N)c2C)cc(C)c1-c1nnn[n-]1 ZINC001591933311 1093919221 /nfs/dbraw/zinc/91/92/21/1093919221.db2.gz FLXKCBJTNMHWPM-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1cc(C(=O)Nc2cccc(C#N)c2C)cc(C)c1-c1nn[n-]n1 ZINC001591933311 1093919224 /nfs/dbraw/zinc/91/92/24/1093919224.db2.gz FLXKCBJTNMHWPM-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1csc(NC(=O)c2cc(C)c(C#N)c(C)c2)c1-c1nnn[n-]1 ZINC001591935370 1093921477 /nfs/dbraw/zinc/92/14/77/1093921477.db2.gz NDTZGMSMEUHUJA-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1csc(NC(=O)c2cc(C)c(C#N)c(C)c2)c1-c1nn[n-]n1 ZINC001591935370 1093921485 /nfs/dbraw/zinc/92/14/85/1093921485.db2.gz NDTZGMSMEUHUJA-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1cc(C(F)F)oc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001591940165 1093924629 /nfs/dbraw/zinc/92/46/29/1093924629.db2.gz WJSRIWAOVFDXKJ-UHFFFAOYSA-N -1 3 344.281 2.830 20 30 EFEDHM Cc1cc(C(F)F)oc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001591940165 1093924632 /nfs/dbraw/zinc/92/46/32/1093924632.db2.gz WJSRIWAOVFDXKJ-UHFFFAOYSA-N -1 3 344.281 2.830 20 30 EFEDHM Cc1cc(CN=Nc2oc(C(C)C)nc2C#N)ccc1-c1nnn[n-]1 ZINC001591959009 1093933201 /nfs/dbraw/zinc/93/32/01/1093933201.db2.gz XCWSOCBUDCZHOX-UHFFFAOYSA-N -1 3 336.359 2.604 20 30 EFEDHM Cc1cc(CN=Nc2oc(C(C)C)nc2C#N)ccc1-c1nn[n-]n1 ZINC001591959009 1093933204 /nfs/dbraw/zinc/93/32/04/1093933204.db2.gz XCWSOCBUDCZHOX-UHFFFAOYSA-N -1 3 336.359 2.604 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)c(N2CCc3c(CC#N)cccc3C2)c1 ZINC001591979939 1093945456 /nfs/dbraw/zinc/94/54/56/1093945456.db2.gz MJVUVEHUSMMHOG-UHFFFAOYSA-N -1 3 348.385 2.943 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)c(N2CCc3c(CC#N)cccc3C2)c1 ZINC001591979939 1093945461 /nfs/dbraw/zinc/94/54/61/1093945461.db2.gz MJVUVEHUSMMHOG-UHFFFAOYSA-N -1 3 348.385 2.943 20 30 EFEDHM Cc1cc(F)cc(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001591991909 1093950341 /nfs/dbraw/zinc/95/03/41/1093950341.db2.gz ZWMFUJKFAWPOHX-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(F)cc(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001591991909 1093950346 /nfs/dbraw/zinc/95/03/46/1093950346.db2.gz ZWMFUJKFAWPOHX-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(N(C)C[C@H](C)C#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC001591993752 1093950667 /nfs/dbraw/zinc/95/06/67/1093950667.db2.gz CBTIMWSUMHYHRW-LLVKDONJSA-N -1 3 346.398 2.572 20 30 EFEDHM Cc1cc(N(C)C[C@H](C)C#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC001591993752 1093950669 /nfs/dbraw/zinc/95/06/69/1093950669.db2.gz CBTIMWSUMHYHRW-LLVKDONJSA-N -1 3 346.398 2.572 20 30 EFEDHM Cc1cc(NC(=O)NCc2ccc(C)c(C#N)c2)cc(-c2nnn[n-]2)c1 ZINC001592027240 1093958643 /nfs/dbraw/zinc/95/86/43/1093958643.db2.gz REBQKZCHHNPYTQ-UHFFFAOYSA-N -1 3 347.382 2.677 20 30 EFEDHM Cc1cc(NC(=O)NCc2ccc(C)c(C#N)c2)cc(-c2nn[n-]n2)c1 ZINC001592027240 1093958646 /nfs/dbraw/zinc/95/86/46/1093958646.db2.gz REBQKZCHHNPYTQ-UHFFFAOYSA-N -1 3 347.382 2.677 20 30 EFEDHM Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)cc(-c2nnn[n-]2)c1 ZINC001592030108 1093961007 /nfs/dbraw/zinc/96/10/07/1093961007.db2.gz XRNQUMYYLFNXOY-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)cc(-c2nn[n-]n2)c1 ZINC001592030108 1093961010 /nfs/dbraw/zinc/96/10/10/1093961010.db2.gz XRNQUMYYLFNXOY-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(S(=O)(=O)CCCCC(C)(C)C#N)ccc1-c1nnn[n-]1 ZINC001592063655 1093972438 /nfs/dbraw/zinc/97/24/38/1093972438.db2.gz RTTMTFUIWCUSOD-UHFFFAOYSA-N -1 3 347.444 2.669 20 30 EFEDHM Cc1cc(S(=O)(=O)CCCCC(C)(C)C#N)ccc1-c1nn[n-]n1 ZINC001592063655 1093972444 /nfs/dbraw/zinc/97/24/44/1093972444.db2.gz RTTMTFUIWCUSOD-UHFFFAOYSA-N -1 3 347.444 2.669 20 30 EFEDHM Cc1cc(SCC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001592067154 1093973376 /nfs/dbraw/zinc/97/33/76/1093973376.db2.gz QAYSWIMPPPMPKT-UHFFFAOYSA-N -1 3 349.419 2.951 20 30 EFEDHM Cc1cc(SCC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001592067154 1093973379 /nfs/dbraw/zinc/97/33/79/1093973379.db2.gz QAYSWIMPPPMPKT-UHFFFAOYSA-N -1 3 349.419 2.951 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC001592097293 1093977811 /nfs/dbraw/zinc/97/78/11/1093977811.db2.gz PDSKWEOTPCMURW-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC001592097293 1093977814 /nfs/dbraw/zinc/97/78/14/1093977814.db2.gz PDSKWEOTPCMURW-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC001592098724 1093979554 /nfs/dbraw/zinc/97/95/54/1093979554.db2.gz ZPBYXHJEMUEXAV-QGZVFWFLSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC001592098724 1093979555 /nfs/dbraw/zinc/97/95/55/1093979555.db2.gz ZPBYXHJEMUEXAV-QGZVFWFLSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001592112966 1093985126 /nfs/dbraw/zinc/98/51/26/1093985126.db2.gz BXEMNMSNLDAUTG-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001592112966 1093985130 /nfs/dbraw/zinc/98/51/30/1093985130.db2.gz BXEMNMSNLDAUTG-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1ccc(C(=O)C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592115733 1093986736 /nfs/dbraw/zinc/98/67/36/1093986736.db2.gz ZYSBFUIGCUBELT-KTKRTIGZSA-N -1 3 333.351 2.553 20 30 EFEDHM Cc1ccc(C(=O)C=CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592115733 1093986739 /nfs/dbraw/zinc/98/67/39/1093986739.db2.gz ZYSBFUIGCUBELT-KTKRTIGZSA-N -1 3 333.351 2.553 20 30 EFEDHM Cc1ccc(CNc2nc3ncccc3cc2-c2nnn[n-]2)cc1C#N ZINC001592168001 1094012781 /nfs/dbraw/zinc/01/27/81/1094012781.db2.gz YZARYVYVZLOBMT-UHFFFAOYSA-N -1 3 342.366 2.602 20 30 EFEDHM Cc1ccc(CNc2nc3ncccc3cc2-c2nn[n-]n2)cc1C#N ZINC001592168001 1094012786 /nfs/dbraw/zinc/01/27/86/1094012786.db2.gz YZARYVYVZLOBMT-UHFFFAOYSA-N -1 3 342.366 2.602 20 30 EFEDHM Cc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(C#N)n1 ZINC001592184646 1094021199 /nfs/dbraw/zinc/02/11/99/1094021199.db2.gz WLDWEOLQQIEVBD-HNNXBMFYSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(C#N)n1 ZINC001592184646 1094021205 /nfs/dbraw/zinc/02/12/05/1094021205.db2.gz WLDWEOLQQIEVBD-HNNXBMFYSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccccc1O[C@H](C)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592258637 1094055724 /nfs/dbraw/zinc/05/57/24/1094055724.db2.gz BKEVVEJIYSENIN-CYBMUJFWSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1ccccc1O[C@H](C)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592258637 1094055730 /nfs/dbraw/zinc/05/57/30/1094055730.db2.gz BKEVVEJIYSENIN-CYBMUJFWSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1cn(Cc2cc(C#N)ccc2Br)cc1-c1nnn[n-]1 ZINC001592287675 1094067105 /nfs/dbraw/zinc/06/71/05/1094067105.db2.gz YHVREDGEXMGXFW-UHFFFAOYSA-N -1 3 343.188 2.659 20 30 EFEDHM Cc1cn(Cc2cc(C#N)ccc2Br)cc1-c1nn[n-]n1 ZINC001592287675 1094067109 /nfs/dbraw/zinc/06/71/09/1094067109.db2.gz YHVREDGEXMGXFW-UHFFFAOYSA-N -1 3 343.188 2.659 20 30 EFEDHM Cc1nc(NC(C)(C)Cc2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001592377598 1094092796 /nfs/dbraw/zinc/09/27/96/1094092796.db2.gz WDNXQEJTMUPCAD-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1nc(NC(C)(C)Cc2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001592377598 1094092802 /nfs/dbraw/zinc/09/28/02/1094092802.db2.gz WDNXQEJTMUPCAD-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1nn(-c2ccccc2)c(CSCCC#N)c1-c1nnn[n-]1 ZINC001592426586 1094103494 /nfs/dbraw/zinc/10/34/94/1094103494.db2.gz UASZEULOQUVNLE-UHFFFAOYSA-N -1 3 325.401 2.508 20 30 EFEDHM Cc1nn(C(C)C)cc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001592428989 1094104631 /nfs/dbraw/zinc/10/46/31/1094104631.db2.gz CKHFDUVYIGDYRK-QPEQYQDCSA-N -1 3 349.398 2.560 20 30 EFEDHM Cc1nn(C(C)C)cc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001592428989 1094104634 /nfs/dbraw/zinc/10/46/34/1094104634.db2.gz CKHFDUVYIGDYRK-QPEQYQDCSA-N -1 3 349.398 2.560 20 30 EFEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)cn1 ZINC001592563071 1094135111 /nfs/dbraw/zinc/13/51/11/1094135111.db2.gz HTYOJJDQPCMFCC-SNAWJCMRSA-N -1 3 348.288 2.515 20 30 EFEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cn1 ZINC001592563071 1094135114 /nfs/dbraw/zinc/13/51/14/1094135114.db2.gz HTYOJJDQPCMFCC-SNAWJCMRSA-N -1 3 348.288 2.515 20 30 EFEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NCCC[C@H]1CCO1 ZINC001592619603 1094141653 /nfs/dbraw/zinc/14/16/53/1094141653.db2.gz HLDZFGMLVMCUJA-JTQLQIEISA-N -1 3 340.309 2.852 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NCCC[C@H]1CCO1 ZINC001592619603 1094141655 /nfs/dbraw/zinc/14/16/55/1094141655.db2.gz HLDZFGMLVMCUJA-JTQLQIEISA-N -1 3 340.309 2.852 20 30 EFEDHM FC1(F)CCC[C@@H]1CNN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001592628946 1094146672 /nfs/dbraw/zinc/14/66/72/1094146672.db2.gz XNZAQHMTQYQGQR-GFCCVEGCSA-N -1 3 345.357 2.707 20 30 EFEDHM FC1(F)CCC[C@@H]1CNN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001592628946 1094146673 /nfs/dbraw/zinc/14/66/73/1094146673.db2.gz XNZAQHMTQYQGQR-GFCCVEGCSA-N -1 3 345.357 2.707 20 30 EFEDHM N#CC1(C[C@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001592668804 1094172878 /nfs/dbraw/zinc/17/28/78/1094172878.db2.gz PVOKRCGVYNCMQR-JTQLQIEISA-N -1 3 335.820 2.667 20 30 EFEDHM N#CC1(C[C@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001592668804 1094172880 /nfs/dbraw/zinc/17/28/80/1094172880.db2.gz PVOKRCGVYNCMQR-JTQLQIEISA-N -1 3 335.820 2.667 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CCCC2)no1 ZINC001592669855 1094173004 /nfs/dbraw/zinc/17/30/04/1094173004.db2.gz VBTBGFDAAJXZTQ-AWEZNQCLSA-N -1 3 335.371 2.757 20 30 EFEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CCCC2)no1 ZINC001592669855 1094173009 /nfs/dbraw/zinc/17/30/09/1094173009.db2.gz VBTBGFDAAJXZTQ-AWEZNQCLSA-N -1 3 335.371 2.757 20 30 EFEDHM N#C[C@@H](NC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)C1CCCCC1 ZINC001592669620 1094173293 /nfs/dbraw/zinc/17/32/93/1094173293.db2.gz QEFZPLRRCNYDGI-MRXNPFEDSA-N -1 3 349.398 2.550 20 30 EFEDHM N#C[C@@H](NC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)C1CCCCC1 ZINC001592669620 1094173297 /nfs/dbraw/zinc/17/32/97/1094173297.db2.gz QEFZPLRRCNYDGI-MRXNPFEDSA-N -1 3 349.398 2.550 20 30 EFEDHM N#C[C@H]1CCC[C@@H](OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592672299 1094174073 /nfs/dbraw/zinc/17/40/73/1094174073.db2.gz GSJKPWJVLKFUAE-WCQYABFASA-N -1 3 343.412 2.584 20 30 EFEDHM N#C[C@H]1CCC[C@@H](OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592672299 1094174077 /nfs/dbraw/zinc/17/40/77/1094174077.db2.gz GSJKPWJVLKFUAE-WCQYABFASA-N -1 3 343.412 2.584 20 30 EFEDHM N#CCC[C@@H](NC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1 ZINC001592675405 1094174579 /nfs/dbraw/zinc/17/45/79/1094174579.db2.gz SVVARHXEBHNOEE-CQSZACIVSA-N -1 3 338.396 2.703 20 30 EFEDHM N#CCC[C@@H](NC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1 ZINC001592675405 1094174582 /nfs/dbraw/zinc/17/45/82/1094174582.db2.gz SVVARHXEBHNOEE-CQSZACIVSA-N -1 3 338.396 2.703 20 30 EFEDHM N#CCC1(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC001592674732 1094174707 /nfs/dbraw/zinc/17/47/07/1094174707.db2.gz GZNXQCASZKWQBT-UHFFFAOYSA-N -1 3 341.325 2.799 20 30 EFEDHM N#CCC1(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC001592674732 1094174709 /nfs/dbraw/zinc/17/47/09/1094174709.db2.gz GZNXQCASZKWQBT-UHFFFAOYSA-N -1 3 341.325 2.799 20 30 EFEDHM N#CC[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1 ZINC001592674067 1094174884 /nfs/dbraw/zinc/17/48/84/1094174884.db2.gz ZHPYHNJSWDLAHA-LLVKDONJSA-N -1 3 348.357 2.594 20 30 EFEDHM N#CCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC001592675611 1094175172 /nfs/dbraw/zinc/17/51/72/1094175172.db2.gz XXMMLEKUGBZWPV-UHFFFAOYSA-N -1 3 339.384 2.623 20 30 EFEDHM N#CCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC001592675611 1094175177 /nfs/dbraw/zinc/17/51/77/1094175177.db2.gz XXMMLEKUGBZWPV-UHFFFAOYSA-N -1 3 339.384 2.623 20 30 EFEDHM N#CCCc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592677472 1094176176 /nfs/dbraw/zinc/17/61/76/1094176176.db2.gz BIPWNDQHWIANNW-UHFFFAOYSA-N -1 3 333.355 2.967 20 30 EFEDHM N#CCCc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592677472 1094176177 /nfs/dbraw/zinc/17/61/77/1094176177.db2.gz BIPWNDQHWIANNW-UHFFFAOYSA-N -1 3 333.355 2.967 20 30 EFEDHM N#CCc1ccc(-c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC001592681715 1094176328 /nfs/dbraw/zinc/17/63/28/1094176328.db2.gz GWDRAQPHVAPJHX-UHFFFAOYSA-N -1 3 329.323 2.650 20 30 EFEDHM N#CCc1ccc(-c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC001592681715 1094176330 /nfs/dbraw/zinc/17/63/30/1094176330.db2.gz GWDRAQPHVAPJHX-UHFFFAOYSA-N -1 3 329.323 2.650 20 30 EFEDHM N#CCCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001592678537 1094176384 /nfs/dbraw/zinc/17/63/84/1094176384.db2.gz ZCRRJMLRHVKNSL-UHFFFAOYSA-N -1 3 336.330 2.714 20 30 EFEDHM N#CCCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001592678537 1094176385 /nfs/dbraw/zinc/17/63/85/1094176385.db2.gz ZCRRJMLRHVKNSL-UHFFFAOYSA-N -1 3 336.330 2.714 20 30 EFEDHM N#Cc1c(F)cccc1CN[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592686695 1094176451 /nfs/dbraw/zinc/17/64/51/1094176451.db2.gz MRACGERTWUNBTL-QGZVFWFLSA-N -1 3 334.358 2.655 20 30 EFEDHM N#CCSc1cccc(C(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC001592682254 1094176468 /nfs/dbraw/zinc/17/64/68/1094176468.db2.gz SFHWOJBPDFXPAS-UHFFFAOYSA-N -1 3 342.409 2.796 20 30 EFEDHM N#CCSc1cccc(C(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC001592682254 1094176471 /nfs/dbraw/zinc/17/64/71/1094176471.db2.gz SFHWOJBPDFXPAS-UHFFFAOYSA-N -1 3 342.409 2.796 20 30 EFEDHM N#CCCN(Cc1ccco1)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592676993 1094176541 /nfs/dbraw/zinc/17/65/41/1094176541.db2.gz OLORRMOYFKRWAE-UHFFFAOYSA-N -1 3 326.335 2.515 20 30 EFEDHM N#CCCN(Cc1ccco1)Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592676993 1094176543 /nfs/dbraw/zinc/17/65/43/1094176543.db2.gz OLORRMOYFKRWAE-UHFFFAOYSA-N -1 3 326.335 2.515 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC001592681320 1094176725 /nfs/dbraw/zinc/17/67/25/1094176725.db2.gz QOBAFYNBCPGDAJ-WCBMZHEXSA-N -1 3 333.193 2.733 20 30 EFEDHM N#CCc1cccc(NC(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)c1 ZINC001592679736 1094176810 /nfs/dbraw/zinc/17/68/10/1094176810.db2.gz AWIALDRLIWMACN-UHFFFAOYSA-N -1 3 343.350 2.666 20 30 EFEDHM N#CCc1cccc(NC(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)c1 ZINC001592679736 1094176815 /nfs/dbraw/zinc/17/68/15/1094176815.db2.gz AWIALDRLIWMACN-UHFFFAOYSA-N -1 3 343.350 2.666 20 30 EFEDHM N#Cc1cc(Cl)cc(CN2CCc3c2cccc3-c2nnn[n-]2)c1 ZINC001592688133 1094177296 /nfs/dbraw/zinc/17/72/96/1094177296.db2.gz BTFLJEDJVPLECG-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cc(Cl)cc(CN2CCc3c2cccc3-c2nn[n-]n2)c1 ZINC001592688133 1094177299 /nfs/dbraw/zinc/17/72/99/1094177299.db2.gz BTFLJEDJVPLECG-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccsc2C(F)F)ccc1-c1nnn[n-]1 ZINC001592690039 1094177381 /nfs/dbraw/zinc/17/73/81/1094177381.db2.gz JMEKMAPIDTVCOW-UHFFFAOYSA-N -1 3 346.322 2.990 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccsc2C(F)F)ccc1-c1nn[n-]n1 ZINC001592690039 1094177382 /nfs/dbraw/zinc/17/73/82/1094177382.db2.gz JMEKMAPIDTVCOW-UHFFFAOYSA-N -1 3 346.322 2.990 20 30 EFEDHM N#Cc1cc(NC(=O)c2coc3cc(F)ccc23)ccc1-c1nnn[n-]1 ZINC001592689813 1094177401 /nfs/dbraw/zinc/17/74/01/1094177401.db2.gz CFQDQMIFNKWWDJ-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM N#Cc1cc(NC(=O)c2coc3cc(F)ccc23)ccc1-c1nn[n-]n1 ZINC001592689813 1094177403 /nfs/dbraw/zinc/17/74/03/1094177403.db2.gz CFQDQMIFNKWWDJ-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM N#Cc1cc(NCc2cn3ccccc3c2-c2nnn[n-]2)ccc1F ZINC001592689746 1094177433 /nfs/dbraw/zinc/17/74/33/1094177433.db2.gz BMZJRLPCDGDTQL-UHFFFAOYSA-N -1 3 333.330 2.742 20 30 EFEDHM N#Cc1cc(NCc2cn3ccccc3c2-c2nn[n-]n2)ccc1F ZINC001592689746 1094177434 /nfs/dbraw/zinc/17/74/34/1094177434.db2.gz BMZJRLPCDGDTQL-UHFFFAOYSA-N -1 3 333.330 2.742 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC001592687748 1094177594 /nfs/dbraw/zinc/17/75/94/1094177594.db2.gz CMVXWDQUSVMLPX-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC001592687748 1094177596 /nfs/dbraw/zinc/17/75/96/1094177596.db2.gz CMVXWDQUSVMLPX-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cs1 ZINC001592688328 1094177691 /nfs/dbraw/zinc/17/76/91/1094177691.db2.gz RDFXJKIUCMULQB-UHFFFAOYSA-N -1 3 336.424 2.964 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC001592693872 1094178423 /nfs/dbraw/zinc/17/84/23/1094178423.db2.gz BTKLGQUIICSQJO-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC001592693872 1094178426 /nfs/dbraw/zinc/17/84/26/1094178426.db2.gz BTKLGQUIICSQJO-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001592693623 1094179055 /nfs/dbraw/zinc/17/90/55/1094179055.db2.gz QLRIXPDVNHLWPV-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001592693623 1094179058 /nfs/dbraw/zinc/17/90/58/1094179058.db2.gz QLRIXPDVNHLWPV-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(COC(=O)c2cscc2-c2nnn[n-]2)c(Cl)c1 ZINC001592694084 1094179412 /nfs/dbraw/zinc/17/94/12/1094179412.db2.gz JAVPJQBMGXOFKY-UHFFFAOYSA-N -1 3 345.771 2.810 20 30 EFEDHM N#Cc1ccc(COC(=O)c2cscc2-c2nn[n-]n2)c(Cl)c1 ZINC001592694084 1094179417 /nfs/dbraw/zinc/17/94/17/1094179417.db2.gz JAVPJQBMGXOFKY-UHFFFAOYSA-N -1 3 345.771 2.810 20 30 EFEDHM N#Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC001592698350 1094180280 /nfs/dbraw/zinc/18/02/80/1094180280.db2.gz XZKVODHGKZKTAQ-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC001592698350 1094180284 /nfs/dbraw/zinc/18/02/84/1094180284.db2.gz XZKVODHGKZKTAQ-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592697866 1094180724 /nfs/dbraw/zinc/18/07/24/1094180724.db2.gz WEMBLYUSSVOGNZ-AWEZNQCLSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592697866 1094180725 /nfs/dbraw/zinc/18/07/25/1094180725.db2.gz WEMBLYUSSVOGNZ-AWEZNQCLSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(OCCCSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001592695697 1094180739 /nfs/dbraw/zinc/18/07/39/1094180739.db2.gz GFSWUJFRWCRPRN-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1ccc(OCCCSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001592695697 1094180740 /nfs/dbraw/zinc/18/07/40/1094180740.db2.gz GFSWUJFRWCRPRN-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1ccc(Oc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001592696442 1094180759 /nfs/dbraw/zinc/18/07/59/1094180759.db2.gz HVHDTTBWBOYIKJ-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2cc(Cl)ccc2C1 ZINC001592699185 1094181416 /nfs/dbraw/zinc/18/14/16/1094181416.db2.gz RDLFIFNLWNPBBE-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2cc(Cl)ccc2C1 ZINC001592699185 1094181418 /nfs/dbraw/zinc/18/14/18/1094181418.db2.gz RDLFIFNLWNPBBE-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cccc(SCc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592700443 1094181432 /nfs/dbraw/zinc/18/14/32/1094181432.db2.gz VFAWSRAGRQSPRP-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1cccc(SCc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592700443 1094181434 /nfs/dbraw/zinc/18/14/34/1094181434.db2.gz VFAWSRAGRQSPRP-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1cccc(OCCN2CCCc3c(-c4nnn[n-]4)cccc32)c1 ZINC001592700212 1094181850 /nfs/dbraw/zinc/18/18/50/1094181850.db2.gz KSNVTBJNHSNABH-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(OCCN2CCCc3c(-c4nn[n-]n4)cccc32)c1 ZINC001592700212 1094181855 /nfs/dbraw/zinc/18/18/55/1094181855.db2.gz KSNVTBJNHSNABH-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1SCC(=O)OC1CCCCC1 ZINC001592700742 1094182006 /nfs/dbraw/zinc/18/20/06/1094182006.db2.gz SGEKGMFDUIMFLV-UHFFFAOYSA-N -1 3 343.412 2.706 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1SCC(=O)OC1CCCCC1 ZINC001592700742 1094182009 /nfs/dbraw/zinc/18/20/09/1094182009.db2.gz SGEKGMFDUIMFLV-UHFFFAOYSA-N -1 3 343.412 2.706 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1Cc2ccccc2C(F)(F)C1 ZINC001592698857 1094182063 /nfs/dbraw/zinc/18/20/63/1094182063.db2.gz KPTSIVQELIIMDA-UHFFFAOYSA-N -1 3 338.321 2.850 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1Cc2ccccc2C(F)(F)C1 ZINC001592698857 1094182066 /nfs/dbraw/zinc/18/20/66/1094182066.db2.gz KPTSIVQELIIMDA-UHFFFAOYSA-N -1 3 338.321 2.850 20 30 EFEDHM N#Cc1cccc2c1CCN2CCCOc1cccc(-c2nnn[n-]2)c1 ZINC001592703233 1094182672 /nfs/dbraw/zinc/18/26/72/1094182672.db2.gz KKDYFHUXVZSEAR-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc2c1CCN2CCCOc1cccc(-c2nn[n-]n2)c1 ZINC001592703233 1094182676 /nfs/dbraw/zinc/18/26/76/1094182676.db2.gz KKDYFHUXVZSEAR-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc2c1CCN2Cc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001592703356 1094182859 /nfs/dbraw/zinc/18/28/59/1094182859.db2.gz QQDCWZPTMARJKO-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cccc2c1CCN2Cc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001592703356 1094182863 /nfs/dbraw/zinc/18/28/63/1094182863.db2.gz QQDCWZPTMARJKO-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cccc([N+](=O)[O-])c1Oc1ccc(-c2nnn[n-]2)cc1F ZINC001592703358 1094182915 /nfs/dbraw/zinc/18/29/15/1094182915.db2.gz QSGCWDAPFRTQKS-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1cccc([N+](=O)[O-])c1Oc1ccc(-c2nn[n-]n2)cc1F ZINC001592703358 1094182918 /nfs/dbraw/zinc/18/29/18/1094182918.db2.gz QSGCWDAPFRTQKS-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1cccc2[nH]cc(C(=O)Nc3cc(F)cc(-c4nnn[n-]4)c3)c21 ZINC001592703228 1094183001 /nfs/dbraw/zinc/18/30/01/1094183001.db2.gz KFAZYTPDFSCZRF-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#Cc1cccc2[nH]cc(C(=O)Nc3cc(F)cc(-c4nn[n-]n4)c3)c21 ZINC001592703228 1094183004 /nfs/dbraw/zinc/18/30/04/1094183004.db2.gz KFAZYTPDFSCZRF-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#Cc1ncn(Cc2ccc(-c3ccccc3)cc2)c1-c1nnn[n-]1 ZINC001592710417 1094183301 /nfs/dbraw/zinc/18/33/01/1094183301.db2.gz YDQUYKUIDXBSST-UHFFFAOYSA-N -1 3 327.351 2.650 20 30 EFEDHM N#Cc1sccc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001592711626 1094184906 /nfs/dbraw/zinc/18/49/06/1094184906.db2.gz NLCSUKQCVIEXHF-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1sccc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001592711626 1094184909 /nfs/dbraw/zinc/18/49/09/1094184909.db2.gz NLCSUKQCVIEXHF-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccnn1-c1ccccc1 ZINC001592792169 1094187840 /nfs/dbraw/zinc/18/78/40/1094187840.db2.gz XWHMXNZCSQMIDG-DHZHZOJOSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccnn1-c1ccccc1 ZINC001592792169 1094187842 /nfs/dbraw/zinc/18/78/42/1094187842.db2.gz XWHMXNZCSQMIDG-DHZHZOJOSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cnn(CC2CCC2)c1 ZINC001592799030 1094190691 /nfs/dbraw/zinc/19/06/91/1094190691.db2.gz HWRFJTZBYILYND-HJWRWDBZSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cnn(CC2CCC2)c1 ZINC001592799030 1094190696 /nfs/dbraw/zinc/19/06/96/1094190696.db2.gz HWRFJTZBYILYND-HJWRWDBZSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C1c2ccc(F)cc2OC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001593381163 1094302859 /nfs/dbraw/zinc/30/28/59/1094302859.db2.gz XJABGWSAGWUYEF-AWNIVKPZSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1c2ccc(F)cc2OC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001593381168 1094303036 /nfs/dbraw/zinc/30/30/36/1094303036.db2.gz XJABGWSAGWUYEF-MLPAPPSSSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1C(=Cc2cnn(CC3CCC3)c2)Cc2ccc(-c3nnn[n-]3)cc21 ZINC001593381237 1094304067 /nfs/dbraw/zinc/30/40/67/1094304067.db2.gz YBINTROINRTESO-SOFYXZRVSA-N -1 3 346.394 2.686 20 30 EFEDHM O=C1C(=Cc2cnn(CC3CCC3)c2)Cc2ccc(-c3nn[n-]n3)cc21 ZINC001593381237 1094304076 /nfs/dbraw/zinc/30/40/76/1094304076.db2.gz YBINTROINRTESO-SOFYXZRVSA-N -1 3 346.394 2.686 20 30 EFEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCC[C@@H]([C@H]2CCOC2)C1 ZINC001593548716 1094359111 /nfs/dbraw/zinc/35/91/11/1094359111.db2.gz ANBWJILZWXNQJX-CVEARBPZSA-N -1 3 340.431 2.539 20 30 EFEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCC[C@@H]([C@H]2CCOC2)C1 ZINC001593548716 1094359116 /nfs/dbraw/zinc/35/91/16/1094359116.db2.gz ANBWJILZWXNQJX-CVEARBPZSA-N -1 3 340.431 2.539 20 30 EFEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC001593548720 1094359916 /nfs/dbraw/zinc/35/99/16/1094359916.db2.gz ANBWJILZWXNQJX-HZPDHXFCSA-N -1 3 340.431 2.539 20 30 EFEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC001593548720 1094359923 /nfs/dbraw/zinc/35/99/23/1094359923.db2.gz ANBWJILZWXNQJX-HZPDHXFCSA-N -1 3 340.431 2.539 20 30 EFEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCC[C@H]([C@H]2CCOC2)C1 ZINC001593548718 1094360100 /nfs/dbraw/zinc/36/01/00/1094360100.db2.gz ANBWJILZWXNQJX-HOTGVXAUSA-N -1 3 340.431 2.539 20 30 EFEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCC[C@H]([C@H]2CCOC2)C1 ZINC001593548718 1094360109 /nfs/dbraw/zinc/36/01/09/1094360109.db2.gz ANBWJILZWXNQJX-HOTGVXAUSA-N -1 3 340.431 2.539 20 30 EFEDHM Cc1c(C(=O)[O-])cc(CNCc2ccc(N(C)CCC#N)cc2)n1C ZINC001599994059 1094707287 /nfs/dbraw/zinc/70/72/87/1094707287.db2.gz NNDXOJAXQWHBSQ-UHFFFAOYSA-N -1 3 340.427 2.671 20 30 EFEDHM Cc1c(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC001600011653 1094719009 /nfs/dbraw/zinc/71/90/09/1094719009.db2.gz KYPVZMMUIZOXBS-INIZCTEOSA-N -1 3 325.324 2.690 20 30 EFEDHM Cc1ccc([C@H](CNc2ccc(C(=O)[O-])nc2C#N)N2CCCC2)o1 ZINC001600379071 1095018141 /nfs/dbraw/zinc/01/81/41/1095018141.db2.gz VPIYUFOEORJASW-INIZCTEOSA-N -1 3 340.383 2.802 20 30 EFEDHM Cc1ccc([C@@H](CNc2ccc(C(=O)[O-])nc2C#N)N2CCCC2)o1 ZINC001600379073 1095019430 /nfs/dbraw/zinc/01/94/30/1095019430.db2.gz VPIYUFOEORJASW-MRXNPFEDSA-N -1 3 340.383 2.802 20 30 EFEDHM Cn1c(C(=O)[O-])ccc1C(=O)C(C#N)c1nc2ccccc2s1 ZINC001600903604 1095417514 /nfs/dbraw/zinc/41/75/14/1095417514.db2.gz WBRATRDFEUMCMZ-VIFPVBQESA-N -1 3 325.349 2.823 20 30 EFEDHM N#CCOc1ccc(CNCc2[nH]cc(C(=O)[O-])c2C2CC2)cc1 ZINC001601073896 1095491260 /nfs/dbraw/zinc/49/12/60/1095491260.db2.gz CUEHNOJSTKUQOY-UHFFFAOYSA-N -1 3 325.368 2.782 20 30 EFEDHM N#Cc1ccc(Br)c(CN[C@H](CC(F)F)C(=O)[O-])c1 ZINC001601092730 1095504766 /nfs/dbraw/zinc/50/47/66/1095504766.db2.gz KIJKBIDEUZRKGD-SNVBAGLBSA-N -1 3 333.132 2.519 20 30 EFEDHM Brc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC001602671890 1096344872 /nfs/dbraw/zinc/34/48/72/1096344872.db2.gz GKFNXNFDMSCZBO-UHFFFAOYSA-N -1 3 333.149 2.668 20 30 EFEDHM Brc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC001602671890 1096344879 /nfs/dbraw/zinc/34/48/79/1096344879.db2.gz GKFNXNFDMSCZBO-UHFFFAOYSA-N -1 3 333.149 2.668 20 30 EFEDHM C#C[C@H](NC(=O)c1csc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001602689245 1096350716 /nfs/dbraw/zinc/35/07/16/1096350716.db2.gz POMGCQOXQRWFKR-LBPRGKRZSA-N -1 3 343.799 2.686 20 30 EFEDHM C#C[C@H]1CCCCN1C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602691494 1096351617 /nfs/dbraw/zinc/35/16/17/1096351617.db2.gz YTAOVXZJLOPRTD-KRWDZBQOSA-N -1 3 349.438 2.693 20 30 EFEDHM C#C[C@H]1CCCCN1C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602691494 1096351624 /nfs/dbraw/zinc/35/16/24/1096351624.db2.gz YTAOVXZJLOPRTD-KRWDZBQOSA-N -1 3 349.438 2.693 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC001602689455 1096351900 /nfs/dbraw/zinc/35/19/00/1096351900.db2.gz RHHVEZUMJHJLLJ-OAHLLOKOSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC001602689455 1096351906 /nfs/dbraw/zinc/35/19/06/1096351906.db2.gz RHHVEZUMJHJLLJ-OAHLLOKOSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@@H](NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001602688469 1096352058 /nfs/dbraw/zinc/35/20/58/1096352058.db2.gz KBFYMNIEKNVTGU-RDTXWAMCSA-N -1 3 345.406 2.536 20 30 EFEDHM C#C[C@@H](NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001602688469 1096352063 /nfs/dbraw/zinc/35/20/63/1096352063.db2.gz KBFYMNIEKNVTGU-RDTXWAMCSA-N -1 3 345.406 2.536 20 30 EFEDHM C#C[C@@H](Nc1nnc(C)c(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001602690940 1096352200 /nfs/dbraw/zinc/35/22/00/1096352200.db2.gz NABBLYBLLNTVQY-CYBMUJFWSA-N -1 3 339.790 2.713 20 30 EFEDHM C#C[C@@H](Nc1nnc(C)c(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001602690940 1096352208 /nfs/dbraw/zinc/35/22/08/1096352208.db2.gz NABBLYBLLNTVQY-CYBMUJFWSA-N -1 3 339.790 2.713 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001602696753 1096352858 /nfs/dbraw/zinc/35/28/58/1096352858.db2.gz FENAHDXFOGLYLJ-MRXNPFEDSA-N -1 3 346.394 2.623 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001602696753 1096352864 /nfs/dbraw/zinc/35/28/64/1096352864.db2.gz FENAHDXFOGLYLJ-MRXNPFEDSA-N -1 3 346.394 2.623 20 30 EFEDHM C#CC[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)C1 ZINC001602699626 1096353310 /nfs/dbraw/zinc/35/33/10/1096353310.db2.gz JPIYEPYTDBPTPA-CQSZACIVSA-N -1 3 332.411 2.963 20 30 EFEDHM C#CC[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)C1 ZINC001602699626 1096353317 /nfs/dbraw/zinc/35/33/17/1096353317.db2.gz JPIYEPYTDBPTPA-CQSZACIVSA-N -1 3 332.411 2.963 20 30 EFEDHM C#CCC1(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CCCCC1 ZINC001602700084 1096353539 /nfs/dbraw/zinc/35/35/39/1096353539.db2.gz QWJCHLDFCFATFT-UHFFFAOYSA-N -1 3 342.378 2.854 20 30 EFEDHM C#CCC1(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CCCCC1 ZINC001602700084 1096353543 /nfs/dbraw/zinc/35/35/43/1096353543.db2.gz QWJCHLDFCFATFT-UHFFFAOYSA-N -1 3 342.378 2.854 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602696836 1096353915 /nfs/dbraw/zinc/35/39/15/1096353915.db2.gz FVVQBGYOCRDFHM-OAHLLOKOSA-N -1 3 348.366 2.821 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602696836 1096353922 /nfs/dbraw/zinc/35/39/22/1096353922.db2.gz FVVQBGYOCRDFHM-OAHLLOKOSA-N -1 3 348.366 2.821 20 30 EFEDHM C#CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001602697794 1096354094 /nfs/dbraw/zinc/35/40/94/1096354094.db2.gz SHJKBQNUCVDONX-IUODEOHRSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CC[C@@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001602697794 1096354101 /nfs/dbraw/zinc/35/41/01/1096354101.db2.gz SHJKBQNUCVDONX-IUODEOHRSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CC[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001602697793 1096354153 /nfs/dbraw/zinc/35/41/53/1096354153.db2.gz SHJKBQNUCVDONX-DOMZBBRYSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CC[C@H](OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001602697793 1096354161 /nfs/dbraw/zinc/35/41/61/1096354161.db2.gz SHJKBQNUCVDONX-DOMZBBRYSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CCN(CC)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001602719887 1096356284 /nfs/dbraw/zinc/35/62/84/1096356284.db2.gz KGCHMHXMCHUHSM-UHFFFAOYSA-N -1 3 342.403 2.531 20 30 EFEDHM C#CCN(CC)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001602719887 1096356292 /nfs/dbraw/zinc/35/62/92/1096356292.db2.gz KGCHMHXMCHUHSM-UHFFFAOYSA-N -1 3 342.403 2.531 20 30 EFEDHM C#CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001602716397 1096356368 /nfs/dbraw/zinc/35/63/68/1096356368.db2.gz FAZNMKMKMGTFRH-UHFFFAOYSA-N -1 3 343.818 2.928 20 30 EFEDHM C#CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001602716397 1096356370 /nfs/dbraw/zinc/35/63/70/1096356370.db2.gz FAZNMKMKMGTFRH-UHFFFAOYSA-N -1 3 343.818 2.928 20 30 EFEDHM C#CCN(C)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001602716831 1096356412 /nfs/dbraw/zinc/35/64/12/1096356412.db2.gz RWTUWHQNFHEMMU-UHFFFAOYSA-N -1 3 347.378 2.673 20 30 EFEDHM C#CCN(C)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001602716831 1096356419 /nfs/dbraw/zinc/35/64/19/1096356419.db2.gz RWTUWHQNFHEMMU-UHFFFAOYSA-N -1 3 347.378 2.673 20 30 EFEDHM C#CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001602722213 1096357148 /nfs/dbraw/zinc/35/71/48/1096357148.db2.gz HCELQWHUDHXXHL-UHFFFAOYSA-N -1 3 348.366 2.722 20 30 EFEDHM C#CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001602722213 1096357159 /nfs/dbraw/zinc/35/71/59/1096357159.db2.gz HCELQWHUDHXXHL-UHFFFAOYSA-N -1 3 348.366 2.722 20 30 EFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)C1([C@@H]2CCCCO2)CCC1 ZINC001602745622 1096361912 /nfs/dbraw/zinc/36/19/12/1096361912.db2.gz LTVZGDKRUQYVRW-INIZCTEOSA-N -1 3 340.431 2.682 20 30 EFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)C1([C@@H]2CCCCO2)CCC1 ZINC001602745622 1096361922 /nfs/dbraw/zinc/36/19/22/1096361922.db2.gz LTVZGDKRUQYVRW-INIZCTEOSA-N -1 3 340.431 2.682 20 30 EFEDHM C=C(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(F)c(F)c1 ZINC001602753413 1096364112 /nfs/dbraw/zinc/36/41/12/1096364112.db2.gz PJYVMJOAKWSCDE-CQSZACIVSA-N -1 3 344.325 2.520 20 30 EFEDHM C=C(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(F)c(F)c1 ZINC001602753413 1096364119 /nfs/dbraw/zinc/36/41/19/1096364119.db2.gz PJYVMJOAKWSCDE-CQSZACIVSA-N -1 3 344.325 2.520 20 30 EFEDHM C=C(C)CCc1noc([C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001602758138 1096364970 /nfs/dbraw/zinc/36/49/70/1096364970.db2.gz BIOQXKSINIUBPZ-LLVKDONJSA-N -1 3 326.360 2.898 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1cc(F)ccc1-c1nnn[n-]1 ZINC001602762792 1096366221 /nfs/dbraw/zinc/36/62/21/1096366221.db2.gz IRRAHHPRTKWBGU-UHFFFAOYSA-N -1 3 343.362 2.674 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)c1cc(F)ccc1-c1nn[n-]n1 ZINC001602762792 1096366226 /nfs/dbraw/zinc/36/62/26/1096366226.db2.gz IRRAHHPRTKWBGU-UHFFFAOYSA-N -1 3 343.362 2.674 20 30 EFEDHM C=C1CC(C)(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C1 ZINC001602773359 1096367766 /nfs/dbraw/zinc/36/77/66/1096367766.db2.gz WJVOOENXWWNKKD-UHFFFAOYSA-N -1 3 327.388 2.949 20 30 EFEDHM C=C1CC(C)(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C1 ZINC001602773359 1096367774 /nfs/dbraw/zinc/36/77/74/1096367774.db2.gz WJVOOENXWWNKKD-UHFFFAOYSA-N -1 3 327.388 2.949 20 30 EFEDHM C=C[C@H](C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001602780974 1096368658 /nfs/dbraw/zinc/36/86/58/1096368658.db2.gz VBNLBEFRHVIPSB-FUHWJXTLSA-N -1 3 345.406 2.940 20 30 EFEDHM C=C[C@H](C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001602780974 1096368663 /nfs/dbraw/zinc/36/86/63/1096368663.db2.gz VBNLBEFRHVIPSB-FUHWJXTLSA-N -1 3 345.406 2.940 20 30 EFEDHM C=C1CCC(CNC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602774977 1096369153 /nfs/dbraw/zinc/36/91/53/1096369153.db2.gz DAMCNQNWGLSIKA-ZDUSSCGKSA-N -1 3 340.431 2.973 20 30 EFEDHM C=C1CCC(CNC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602774977 1096369159 /nfs/dbraw/zinc/36/91/59/1096369159.db2.gz DAMCNQNWGLSIKA-ZDUSSCGKSA-N -1 3 340.431 2.973 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC001602784571 1096370705 /nfs/dbraw/zinc/37/07/05/1096370705.db2.gz VVSCUPYOOFQEKY-QGZVFWFLSA-N -1 3 330.428 2.578 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602803485 1096373506 /nfs/dbraw/zinc/37/35/06/1096373506.db2.gz MXOWPGILPYPWGL-IUODEOHRSA-N -1 3 326.404 2.678 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602803485 1096373515 /nfs/dbraw/zinc/37/35/15/1096373515.db2.gz MXOWPGILPYPWGL-IUODEOHRSA-N -1 3 326.404 2.678 20 30 EFEDHM C=C/C=C/CCNC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602807290 1096374319 /nfs/dbraw/zinc/37/43/19/1096374319.db2.gz JEMGLGJUKWAJNR-AATRIKPKSA-N -1 3 338.415 2.697 20 30 EFEDHM C=C/C=C/CCNC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602807290 1096374324 /nfs/dbraw/zinc/37/43/24/1096374324.db2.gz JEMGLGJUKWAJNR-AATRIKPKSA-N -1 3 338.415 2.697 20 30 EFEDHM C=CC[C@H](CC)NC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001602811427 1096375155 /nfs/dbraw/zinc/37/51/55/1096375155.db2.gz MDEADVFAYVQLAY-AWEZNQCLSA-N -1 3 328.420 2.756 20 30 EFEDHM C=CC[C@H](CC)NC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001602811427 1096375164 /nfs/dbraw/zinc/37/51/64/1096375164.db2.gz MDEADVFAYVQLAY-AWEZNQCLSA-N -1 3 328.420 2.756 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602816784 1096375902 /nfs/dbraw/zinc/37/59/02/1096375902.db2.gz VGIRPCHCZZJSNJ-GOSISDBHSA-N -1 3 347.422 2.713 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602816784 1096375913 /nfs/dbraw/zinc/37/59/13/1096375913.db2.gz VGIRPCHCZZJSNJ-GOSISDBHSA-N -1 3 347.422 2.713 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602808307 1096376500 /nfs/dbraw/zinc/37/65/00/1096376500.db2.gz ATPPOFVHUGZRAB-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602808307 1096376507 /nfs/dbraw/zinc/37/65/07/1096376507.db2.gz ATPPOFVHUGZRAB-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CCC1(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001602818405 1096376599 /nfs/dbraw/zinc/37/65/99/1096376599.db2.gz QGNPBEYJTQHTEY-UHFFFAOYSA-N -1 3 340.431 2.674 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001602823330 1096376790 /nfs/dbraw/zinc/37/67/90/1096376790.db2.gz JYEOYOSCRZCNPU-HOCLYGCPSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001602823330 1096376798 /nfs/dbraw/zinc/37/67/98/1096376798.db2.gz JYEOYOSCRZCNPU-HOCLYGCPSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CCCCC(=O)N(C)CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001602832645 1096379916 /nfs/dbraw/zinc/37/99/16/1096379916.db2.gz VHWSSISXCLITAD-UHFFFAOYSA-N -1 3 346.410 2.623 20 30 EFEDHM C=CCCCC(=O)N(C)CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001602832645 1096379923 /nfs/dbraw/zinc/37/99/23/1096379923.db2.gz VHWSSISXCLITAD-UHFFFAOYSA-N -1 3 346.410 2.623 20 30 EFEDHM C=CCCO[C@H](C)C(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602841466 1096380539 /nfs/dbraw/zinc/38/05/39/1096380539.db2.gz YFFYHKQDOCVGBU-CQSZACIVSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCCO[C@H](C)C(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602841466 1096380548 /nfs/dbraw/zinc/38/05/48/1096380548.db2.gz YFFYHKQDOCVGBU-CQSZACIVSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602841465 1096381563 /nfs/dbraw/zinc/38/15/63/1096381563.db2.gz YFFYHKQDOCVGBU-AWEZNQCLSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602841465 1096381568 /nfs/dbraw/zinc/38/15/68/1096381568.db2.gz YFFYHKQDOCVGBU-AWEZNQCLSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCCCNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001602839767 1096382083 /nfs/dbraw/zinc/38/20/83/1096382083.db2.gz GSSSWXFVPUWGJF-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001602839767 1096382092 /nfs/dbraw/zinc/38/20/92/1096382092.db2.gz GSSSWXFVPUWGJF-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccccc1 ZINC001602856344 1096385801 /nfs/dbraw/zinc/38/58/01/1096385801.db2.gz FISIFAKCOCEUCP-UHFFFAOYSA-N -1 3 333.395 2.624 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccccc1 ZINC001602856344 1096385808 /nfs/dbraw/zinc/38/58/08/1096385808.db2.gz FISIFAKCOCEUCP-UHFFFAOYSA-N -1 3 333.395 2.624 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC(=C)C ZINC001602856427 1096386039 /nfs/dbraw/zinc/38/60/39/1096386039.db2.gz JMUDGMPADIUFOX-UHFFFAOYSA-N -1 3 326.404 2.531 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC(=C)C ZINC001602856427 1096386046 /nfs/dbraw/zinc/38/60/46/1096386046.db2.gz JMUDGMPADIUFOX-UHFFFAOYSA-N -1 3 326.404 2.531 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@](C)(C=C)CC ZINC001602854215 1096386271 /nfs/dbraw/zinc/38/62/71/1096386271.db2.gz YEELGQWFBANJJZ-SFHVURJKSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@](C)(C=C)CC ZINC001602854215 1096386278 /nfs/dbraw/zinc/38/62/78/1096386278.db2.gz YEELGQWFBANJJZ-SFHVURJKSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCCC[C@H](C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001602860578 1096386890 /nfs/dbraw/zinc/38/68/90/1096386890.db2.gz IFSRJRACBNUUHN-MSOLQXFVSA-N -1 3 344.455 2.601 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1nnc(C)s1 ZINC001602858687 1096387860 /nfs/dbraw/zinc/38/78/60/1096387860.db2.gz XIJKQSOWXFRZPV-NSHDSACASA-N -1 3 341.444 2.776 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1nnc(C)s1 ZINC001602858687 1096387865 /nfs/dbraw/zinc/38/78/65/1096387865.db2.gz XIJKQSOWXFRZPV-NSHDSACASA-N -1 3 341.444 2.776 20 30 EFEDHM C=CCNc1nnc(SCc2ccc(-c3nnn[n-]3)s2)s1 ZINC001602867097 1096389074 /nfs/dbraw/zinc/38/90/74/1096389074.db2.gz VPNPJKALOKHMAZ-UHFFFAOYSA-N -1 3 337.459 2.670 20 30 EFEDHM C=CCOc1ccccc1CNCc1csc(-c2nnn[n-]2)c1 ZINC001602871657 1096390415 /nfs/dbraw/zinc/39/04/15/1096390415.db2.gz YLVODUKOHALUFT-UHFFFAOYSA-N -1 3 327.413 2.783 20 30 EFEDHM C=CCOc1cccnc1-c1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001602871682 1096390669 /nfs/dbraw/zinc/39/06/69/1096390669.db2.gz YXJNYLFXMGGXCP-UHFFFAOYSA-N -1 3 347.338 2.544 20 30 EFEDHM C=CCOc1cccnc1-c1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001602871682 1096390677 /nfs/dbraw/zinc/39/06/77/1096390677.db2.gz YXJNYLFXMGGXCP-UHFFFAOYSA-N -1 3 347.338 2.544 20 30 EFEDHM C=CCc1cc(C=Cc2cc(-c3nnn[n-]3)ccn2)cc(OC)c1O ZINC001602875524 1096391471 /nfs/dbraw/zinc/39/14/71/1096391471.db2.gz HCBZHEMQCIQQPG-WAYWQWQTSA-N -1 3 335.367 2.875 20 30 EFEDHM C=CCc1cc(C=Cc2cc(-c3nn[n-]n3)ccn2)cc(OC)c1O ZINC001602875524 1096391481 /nfs/dbraw/zinc/39/14/81/1096391481.db2.gz HCBZHEMQCIQQPG-WAYWQWQTSA-N -1 3 335.367 2.875 20 30 EFEDHM CC#CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC001602889328 1096392790 /nfs/dbraw/zinc/39/27/90/1096392790.db2.gz HVYLYQZHVRAWHX-UHFFFAOYSA-N -1 3 349.369 2.558 20 30 EFEDHM CC#CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC001602889328 1096392804 /nfs/dbraw/zinc/39/28/04/1096392804.db2.gz HVYLYQZHVRAWHX-UHFFFAOYSA-N -1 3 349.369 2.558 20 30 EFEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001602906042 1096396030 /nfs/dbraw/zinc/39/60/30/1096396030.db2.gz AXMVHBQDWAEOHF-GFCCVEGCSA-N -1 3 348.838 2.791 20 30 EFEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001602906042 1096396040 /nfs/dbraw/zinc/39/60/40/1096396040.db2.gz AXMVHBQDWAEOHF-GFCCVEGCSA-N -1 3 348.838 2.791 20 30 EFEDHM CC(C)(C)c1ncc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001603125901 1096452811 /nfs/dbraw/zinc/45/28/11/1096452811.db2.gz WVLYCOIDCJDEFJ-BQYQJAHWSA-N -1 3 334.383 2.850 20 30 EFEDHM CC(C)(C)c1ncc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001603125901 1096452816 /nfs/dbraw/zinc/45/28/16/1096452816.db2.gz WVLYCOIDCJDEFJ-BQYQJAHWSA-N -1 3 334.383 2.850 20 30 EFEDHM CC(C)(CCC#N)CNc1cccc(-n2cccn2)c1-c1nnn[n-]1 ZINC001603139814 1096456297 /nfs/dbraw/zinc/45/62/97/1096456297.db2.gz XRZKAHMWRVYMRT-UHFFFAOYSA-N -1 3 336.403 2.794 20 30 EFEDHM CC(C)(CCC#N)CNc1cccc(-n2cccn2)c1-c1nn[n-]n1 ZINC001603139814 1096456311 /nfs/dbraw/zinc/45/63/11/1096456311.db2.gz XRZKAHMWRVYMRT-UHFFFAOYSA-N -1 3 336.403 2.794 20 30 EFEDHM CC(C)Oc1ncccc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001603374567 1096517231 /nfs/dbraw/zinc/51/72/31/1096517231.db2.gz BDPAKCSPUNAZPW-UHFFFAOYSA-N -1 3 335.371 2.533 20 30 EFEDHM CC(C)Oc1ncccc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001603374567 1096517233 /nfs/dbraw/zinc/51/72/33/1096517233.db2.gz BDPAKCSPUNAZPW-UHFFFAOYSA-N -1 3 335.371 2.533 20 30 EFEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCCCCC#N ZINC001603569134 1096553953 /nfs/dbraw/zinc/55/39/53/1096553953.db2.gz KZSVYOVISOLUQF-CYBMUJFWSA-N -1 3 343.387 2.651 20 30 EFEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCCCCC#N ZINC001603569134 1096553961 /nfs/dbraw/zinc/55/39/61/1096553961.db2.gz KZSVYOVISOLUQF-CYBMUJFWSA-N -1 3 343.387 2.651 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)s1 ZINC001603727725 1096605486 /nfs/dbraw/zinc/60/54/86/1096605486.db2.gz MZNUKOFXAKFFOQ-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)s1 ZINC001603727725 1096605488 /nfs/dbraw/zinc/60/54/88/1096605488.db2.gz MZNUKOFXAKFFOQ-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM CC1(c2noc([C@H](C#N)Cc3ccc(-c4nnn[n-]4)cc3)n2)CCCC1 ZINC001603822092 1096636938 /nfs/dbraw/zinc/63/69/38/1096636938.db2.gz WHAQTFIUPMYFMH-AWEZNQCLSA-N -1 3 349.398 2.931 20 30 EFEDHM CC1(c2noc([C@H](C#N)Cc3ccc(-c4nn[n-]n4)cc3)n2)CCCC1 ZINC001603822092 1096636942 /nfs/dbraw/zinc/63/69/42/1096636942.db2.gz WHAQTFIUPMYFMH-AWEZNQCLSA-N -1 3 349.398 2.931 20 30 EFEDHM C[C@@H]1CCCC[C@H]1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001603892628 1096662090 /nfs/dbraw/zinc/66/20/90/1096662090.db2.gz PWBWVHIJGUUPLL-ZJUUUORDSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@@H]1CCCC[C@H]1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001603892628 1096662096 /nfs/dbraw/zinc/66/20/96/1096662096.db2.gz PWBWVHIJGUUPLL-ZJUUUORDSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@@H]1c2ccccc2OCCN1c1c(C#N)cccc1-c1nnn[n-]1 ZINC001603954177 1096681292 /nfs/dbraw/zinc/68/12/92/1096681292.db2.gz BXQJBXMPXPKHHU-GFCCVEGCSA-N -1 3 332.367 2.698 20 30 EFEDHM C[C@@H]1c2ccccc2OCCN1c1c(C#N)cccc1-c1nn[n-]n1 ZINC001603954177 1096681294 /nfs/dbraw/zinc/68/12/94/1096681294.db2.gz BXQJBXMPXPKHHU-GFCCVEGCSA-N -1 3 332.367 2.698 20 30 EFEDHM CC[C@H](C#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001603977645 1096685436 /nfs/dbraw/zinc/68/54/36/1096685436.db2.gz FQWRGPICGBEJFJ-LLVKDONJSA-N -1 3 349.354 2.542 20 30 EFEDHM CC[C@H](C#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001603977645 1096685439 /nfs/dbraw/zinc/68/54/39/1096685439.db2.gz FQWRGPICGBEJFJ-LLVKDONJSA-N -1 3 349.354 2.542 20 30 EFEDHM CC[C@H](C#N)Sc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC001603977830 1096686010 /nfs/dbraw/zinc/68/60/10/1096686010.db2.gz JWMCLIHBGJTNAC-SSDOTTSWSA-N -1 3 328.323 2.983 20 30 EFEDHM CC[C@@H](C)CON=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001604003758 1096693673 /nfs/dbraw/zinc/69/36/73/1096693673.db2.gz JGJJRXLQLMFOCV-GFCCVEGCSA-N -1 3 339.403 2.664 20 30 EFEDHM CC[C@@H](C)CON=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001604003758 1096693678 /nfs/dbraw/zinc/69/36/78/1096693678.db2.gz JGJJRXLQLMFOCV-GFCCVEGCSA-N -1 3 339.403 2.664 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC001604318434 1096805491 /nfs/dbraw/zinc/80/54/91/1096805491.db2.gz JYYJDVYXHGSBDL-UGSOOPFHSA-N -1 3 347.378 2.615 20 30 EFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)o1 ZINC001604388409 1096833911 /nfs/dbraw/zinc/83/39/11/1096833911.db2.gz WXRISFQVDVJMTM-VQHVLOKHSA-N -1 3 338.323 2.533 20 30 EFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)o1 ZINC001604388409 1096833923 /nfs/dbraw/zinc/83/39/23/1096833923.db2.gz WXRISFQVDVJMTM-VQHVLOKHSA-N -1 3 338.323 2.533 20 30 EFEDHM CCOc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)ccc1OC ZINC001604449317 1096860903 /nfs/dbraw/zinc/86/09/03/1096860903.db2.gz QISLMNDQUJVRSS-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM CCOc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)ccc1OC ZINC001604449317 1096860911 /nfs/dbraw/zinc/86/09/11/1096860911.db2.gz QISLMNDQUJVRSS-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C)c(C#N)c1 ZINC001604509980 1096884542 /nfs/dbraw/zinc/88/45/42/1096884542.db2.gz LLZCSAXDSZFJKB-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C)c(C#N)c1 ZINC001604509980 1096884548 /nfs/dbraw/zinc/88/45/48/1096884548.db2.gz LLZCSAXDSZFJKB-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C#N)ccc2C)s1 ZINC001604510007 1096884973 /nfs/dbraw/zinc/88/49/73/1096884973.db2.gz FERBPJISDCCJGV-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C#N)ccc2C)s1 ZINC001604510007 1096884978 /nfs/dbraw/zinc/88/49/78/1096884978.db2.gz FERBPJISDCCJGV-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001604533325 1096896706 /nfs/dbraw/zinc/89/67/06/1096896706.db2.gz OLZFQHDSOQTDAS-MRXNPFEDSA-N -1 3 346.394 2.750 20 30 EFEDHM CCc1ccccc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001604533325 1096896713 /nfs/dbraw/zinc/89/67/13/1096896713.db2.gz OLZFQHDSOQTDAS-MRXNPFEDSA-N -1 3 346.394 2.750 20 30 EFEDHM CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001604639008 1096920294 /nfs/dbraw/zinc/92/02/94/1096920294.db2.gz SIQJVODNZASQJT-HNNXBMFYSA-N -1 3 346.394 2.917 20 30 EFEDHM CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001604639008 1096920299 /nfs/dbraw/zinc/92/02/99/1096920299.db2.gz SIQJVODNZASQJT-HNNXBMFYSA-N -1 3 346.394 2.917 20 30 EFEDHM CN(CC1CC1)c1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001604728350 1096942896 /nfs/dbraw/zinc/94/28/96/1096942896.db2.gz KWWSZOZGLHEZRV-UHFFFAOYSA-N -1 3 337.431 2.639 20 30 EFEDHM CN(CC1CC1)c1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001604728350 1096942900 /nfs/dbraw/zinc/94/29/00/1096942900.db2.gz KWWSZOZGLHEZRV-UHFFFAOYSA-N -1 3 337.431 2.639 20 30 EFEDHM C[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001604785613 1096953957 /nfs/dbraw/zinc/95/39/57/1096953957.db2.gz GMJYVIJXTKNGIP-JXFKEZNVSA-N -1 3 349.434 2.890 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)CC(C)(C)C#N ZINC001604807898 1096961052 /nfs/dbraw/zinc/96/10/52/1096961052.db2.gz XTYQDKALXRGLKQ-UHFFFAOYSA-N -1 3 338.337 2.867 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)CC(C)(C)C#N ZINC001604807898 1096961056 /nfs/dbraw/zinc/96/10/56/1096961056.db2.gz XTYQDKALXRGLKQ-UHFFFAOYSA-N -1 3 338.337 2.867 20 30 EFEDHM CN(Cc1ccc2cc[nH]c2c1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001604810687 1096961919 /nfs/dbraw/zinc/96/19/19/1096961919.db2.gz VORKLWOJVYUSJG-UHFFFAOYSA-N -1 3 329.367 2.856 20 30 EFEDHM CN(Cc1ccc2cc[nH]c2c1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001604810687 1096961925 /nfs/dbraw/zinc/96/19/25/1096961925.db2.gz VORKLWOJVYUSJG-UHFFFAOYSA-N -1 3 329.367 2.856 20 30 EFEDHM CCC#C[C@H](C)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001604851388 1096970137 /nfs/dbraw/zinc/97/01/37/1096970137.db2.gz QCUYRYVQLHPEJA-MLBPIDQTSA-N -1 3 335.444 2.543 20 30 EFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001604970451 1096989247 /nfs/dbraw/zinc/98/92/47/1096989247.db2.gz WWJVTXNUQCWTPG-ZHACJKMWSA-N -1 3 334.335 2.549 20 30 EFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001604970451 1096989250 /nfs/dbraw/zinc/98/92/50/1096989250.db2.gz WWJVTXNUQCWTPG-ZHACJKMWSA-N -1 3 334.335 2.549 20 30 EFEDHM CO[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)C1CCCCC1 ZINC001605008129 1096998135 /nfs/dbraw/zinc/99/81/35/1096998135.db2.gz GAWZOQNYCVSUAY-OAHLLOKOSA-N -1 3 326.404 2.746 20 30 EFEDHM CO[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)C1CCCCC1 ZINC001605008129 1096998140 /nfs/dbraw/zinc/99/81/40/1096998140.db2.gz GAWZOQNYCVSUAY-OAHLLOKOSA-N -1 3 326.404 2.746 20 30 EFEDHM COC1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCCCCC1 ZINC001605020140 1097004088 /nfs/dbraw/zinc/00/40/88/1097004088.db2.gz GSTFIFQFXXLYQI-UHFFFAOYSA-N -1 3 326.404 2.890 20 30 EFEDHM COC1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCCCCC1 ZINC001605020140 1097004091 /nfs/dbraw/zinc/00/40/91/1097004091.db2.gz GSTFIFQFXXLYQI-UHFFFAOYSA-N -1 3 326.404 2.890 20 30 EFEDHM COCc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1 ZINC001605132089 1097031010 /nfs/dbraw/zinc/03/10/10/1097031010.db2.gz PMGNSXXDGALQDX-PXNMLYILSA-N -1 3 332.363 2.836 20 30 EFEDHM COCc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1 ZINC001605132089 1097031014 /nfs/dbraw/zinc/03/10/14/1097031014.db2.gz PMGNSXXDGALQDX-PXNMLYILSA-N -1 3 332.363 2.836 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1cccc(-c2nnn[n-]2)c1 ZINC001605224912 1097058654 /nfs/dbraw/zinc/05/86/54/1097058654.db2.gz ZCCVHTACLFHPPC-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1cccc(-c2nn[n-]n2)c1 ZINC001605224912 1097058658 /nfs/dbraw/zinc/05/86/58/1097058658.db2.gz ZCCVHTACLFHPPC-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM CCCC[C@H](C(=O)[O-])N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001605234164 1097063349 /nfs/dbraw/zinc/06/33/49/1097063349.db2.gz LNSZPXOHYNGDES-MRXNPFEDSA-N -1 3 335.835 2.977 20 30 EFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001605304634 1097088715 /nfs/dbraw/zinc/08/87/15/1097088715.db2.gz HJIYSJIYXQHSCL-VQHVLOKHSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605304634 1097088719 /nfs/dbraw/zinc/08/87/19/1097088719.db2.gz HJIYSJIYXQHSCL-VQHVLOKHSA-N -1 3 336.351 2.780 20 30 EFEDHM CSc1ccc(CNc2cc(-c3nnn[n-]3)cc(C)n2)cc1C#N ZINC001605388108 1097113974 /nfs/dbraw/zinc/11/39/74/1097113974.db2.gz WFGLMSXORNAVNV-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM CSc1ccc(CNc2cc(-c3nn[n-]n3)cc(C)n2)cc1C#N ZINC001605388108 1097113975 /nfs/dbraw/zinc/11/39/75/1097113975.db2.gz WFGLMSXORNAVNV-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)NCC1CCC(C#N)CC1 ZINC001605514101 1097142576 /nfs/dbraw/zinc/14/25/76/1097142576.db2.gz ZLPCQTHDAFYREE-UHFFFAOYSA-N -1 3 338.415 2.543 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NCC1CCC(C#N)CC1 ZINC001605514101 1097142580 /nfs/dbraw/zinc/14/25/80/1097142580.db2.gz ZLPCQTHDAFYREE-UHFFFAOYSA-N -1 3 338.415 2.543 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)OCC(C)(C)CC#N ZINC001605520997 1097145472 /nfs/dbraw/zinc/14/54/72/1097145472.db2.gz KRTMEKRKWLXAGF-UHFFFAOYSA-N -1 3 327.388 2.509 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)OCC(C)(C)CC#N ZINC001605520997 1097145478 /nfs/dbraw/zinc/14/54/78/1097145478.db2.gz KRTMEKRKWLXAGF-UHFFFAOYSA-N -1 3 327.388 2.509 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(N(Cc2ccc(C#N)cc2)C2CC2)n1 ZINC001605527972 1097147798 /nfs/dbraw/zinc/14/77/98/1097147798.db2.gz SJLQTJJDLNNVEX-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(N(Cc2ccc(C#N)cc2)C2CC2)n1 ZINC001605527972 1097147804 /nfs/dbraw/zinc/14/78/04/1097147804.db2.gz SJLQTJJDLNNVEX-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCc3c(CC#N)cccc3C2)n1 ZINC001605633455 1097174192 /nfs/dbraw/zinc/17/41/92/1097174192.db2.gz GWHRBIQIQCIYBK-UHFFFAOYSA-N -1 3 345.410 2.507 20 30 EFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCc3c(CC#N)cccc3C2)n1 ZINC001605633455 1097174193 /nfs/dbraw/zinc/17/41/93/1097174193.db2.gz GWHRBIQIQCIYBK-UHFFFAOYSA-N -1 3 345.410 2.507 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc3[nH]c(=O)oc3c2)ccc1-c1nnn[n-]1 ZINC001605653088 1097180671 /nfs/dbraw/zinc/18/06/71/1097180671.db2.gz ZCRFQSYGQVPPSR-XVNBXDOJSA-N -1 3 347.334 2.918 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc3[nH]c(=O)oc3c2)ccc1-c1nn[n-]n1 ZINC001605653088 1097180675 /nfs/dbraw/zinc/18/06/75/1097180675.db2.gz ZCRFQSYGQVPPSR-XVNBXDOJSA-N -1 3 347.334 2.918 20 30 EFEDHM Cc1cc(CNc2ccc(F)cc2OCC#N)ccc1-c1nnn[n-]1 ZINC001605661624 1097183554 /nfs/dbraw/zinc/18/35/54/1097183554.db2.gz CJHXJLAVZFCUHD-UHFFFAOYSA-N -1 3 338.346 2.829 20 30 EFEDHM Cc1cc(CNc2ccc(F)cc2OCC#N)ccc1-c1nn[n-]n1 ZINC001605661624 1097183557 /nfs/dbraw/zinc/18/35/57/1097183557.db2.gz CJHXJLAVZFCUHD-UHFFFAOYSA-N -1 3 338.346 2.829 20 30 EFEDHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1C#N ZINC001605663049 1097183696 /nfs/dbraw/zinc/18/36/96/1097183696.db2.gz JVVFRROMUUCHAU-HJWRWDBZSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1C#N ZINC001605663049 1097183699 /nfs/dbraw/zinc/18/36/99/1097183699.db2.gz JVVFRROMUUCHAU-HJWRWDBZSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c(C)s1 ZINC001605667658 1097186816 /nfs/dbraw/zinc/18/68/16/1097186816.db2.gz XGANUCOHTYLUNJ-UHFFFAOYSA-N -1 3 343.441 2.686 20 30 EFEDHM Cc1cc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c(C)s1 ZINC001605667658 1097186820 /nfs/dbraw/zinc/18/68/20/1097186820.db2.gz XGANUCOHTYLUNJ-UHFFFAOYSA-N -1 3 343.441 2.686 20 30 EFEDHM Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ncc1-c1nnn[n-]1 ZINC001605706258 1097200935 /nfs/dbraw/zinc/20/09/35/1097200935.db2.gz UDRAAYOBMJZTTP-AWEZNQCLSA-N -1 3 347.382 2.596 20 30 EFEDHM Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)ncc1-c1nn[n-]n1 ZINC001605706258 1097200938 /nfs/dbraw/zinc/20/09/38/1097200938.db2.gz UDRAAYOBMJZTTP-AWEZNQCLSA-N -1 3 347.382 2.596 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Cl)cc1C#N ZINC001605793234 1097227338 /nfs/dbraw/zinc/22/73/38/1097227338.db2.gz QYRATSMNMWDVGL-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Cl)cc1C#N ZINC001605793234 1097227342 /nfs/dbraw/zinc/22/73/42/1097227342.db2.gz QYRATSMNMWDVGL-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001605795317 1097228366 /nfs/dbraw/zinc/22/83/66/1097228366.db2.gz YXNFPYJJRRRIQM-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001605795317 1097228372 /nfs/dbraw/zinc/22/83/72/1097228372.db2.gz YXNFPYJJRRRIQM-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(C#N)CCCCC1 ZINC001605797990 1097229735 /nfs/dbraw/zinc/22/97/35/1097229735.db2.gz PINVUEHMDYBZCN-UHFFFAOYSA-N -1 3 339.403 2.771 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(C#N)CCCCC1 ZINC001605797990 1097229740 /nfs/dbraw/zinc/22/97/40/1097229740.db2.gz PINVUEHMDYBZCN-UHFFFAOYSA-N -1 3 339.403 2.771 20 30 EFEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001605834502 1097244392 /nfs/dbraw/zinc/24/43/92/1097244392.db2.gz YGAIATHNGZSHCJ-FPLPWBNLSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001605834502 1097244395 /nfs/dbraw/zinc/24/43/95/1097244395.db2.gz YGAIATHNGZSHCJ-FPLPWBNLSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(F)c(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)c1 ZINC001605863239 1097258377 /nfs/dbraw/zinc/25/83/77/1097258377.db2.gz ZHWRQROFWPEHGM-XYOKQWHBSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc(F)c(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)c1 ZINC001605863239 1097258383 /nfs/dbraw/zinc/25/83/83/1097258383.db2.gz ZHWRQROFWPEHGM-XYOKQWHBSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc(OCCN(C)c2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001605876162 1097262610 /nfs/dbraw/zinc/26/26/10/1097262610.db2.gz BJVLCGNGGTZGEI-UHFFFAOYSA-N -1 3 334.383 2.562 20 30 EFEDHM Cc1ccc(OCCN(C)c2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001605876162 1097262615 /nfs/dbraw/zinc/26/26/15/1097262615.db2.gz BJVLCGNGGTZGEI-UHFFFAOYSA-N -1 3 334.383 2.562 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(NCC3CCC(C#N)CC3)c2c1 ZINC001605895144 1097269844 /nfs/dbraw/zinc/26/98/44/1097269844.db2.gz SJBVHRHSYVVTDE-UHFFFAOYSA-N -1 3 347.426 2.887 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(NCC3CCC(C#N)CC3)c2c1 ZINC001605895144 1097269845 /nfs/dbraw/zinc/26/98/45/1097269845.db2.gz SJBVHRHSYVVTDE-UHFFFAOYSA-N -1 3 347.426 2.887 20 30 EFEDHM Cc1ccncc1CCCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001605961546 1097287944 /nfs/dbraw/zinc/28/79/44/1097287944.db2.gz PSVGCPZBDTZUKK-UHFFFAOYSA-N -1 3 342.794 2.649 20 30 EFEDHM Cc1ccncc1CCCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001605961546 1097287948 /nfs/dbraw/zinc/28/79/48/1097287948.db2.gz PSVGCPZBDTZUKK-UHFFFAOYSA-N -1 3 342.794 2.649 20 30 EFEDHM Cc1cnc([C@@H](C)CNc2c(C#N)cccc2-c2nnn[n-]2)s1 ZINC001605978024 1097290599 /nfs/dbraw/zinc/29/05/99/1097290599.db2.gz LAIVEWLIYGAYAE-VIFPVBQESA-N -1 3 325.401 2.719 20 30 EFEDHM Cc1cnc([C@@H](C)CNc2c(C#N)cccc2-c2nn[n-]n2)s1 ZINC001605978024 1097290604 /nfs/dbraw/zinc/29/06/04/1097290604.db2.gz LAIVEWLIYGAYAE-VIFPVBQESA-N -1 3 325.401 2.719 20 30 EFEDHM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001606040211 1097304641 /nfs/dbraw/zinc/30/46/41/1097304641.db2.gz NEEPGYSGMSBWDR-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001606040211 1097304645 /nfs/dbraw/zinc/30/46/45/1097304645.db2.gz NEEPGYSGMSBWDR-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM CN(C)Cc1cccc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC001606036668 1097305297 /nfs/dbraw/zinc/30/52/97/1097305297.db2.gz SROOHUNDRNILTF-KRWDZBQOSA-N -1 3 338.363 2.603 20 30 EFEDHM CN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1Cc1ccccc1 ZINC001606237646 1097357389 /nfs/dbraw/zinc/35/73/89/1097357389.db2.gz GNKBRFJHKARIOO-WOJBJXKFSA-N -1 3 349.434 2.543 20 30 EFEDHM FC1(F)CC[C@@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC001606301685 1097368162 /nfs/dbraw/zinc/36/81/62/1097368162.db2.gz WQJMUILINBBCCL-SSDOTTSWSA-N -1 3 327.726 2.748 20 30 EFEDHM FC1(F)CC[C@@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC001606301685 1097368166 /nfs/dbraw/zinc/36/81/66/1097368166.db2.gz WQJMUILINBBCCL-SSDOTTSWSA-N -1 3 327.726 2.748 20 30 EFEDHM N#CC1CCC(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC001606344624 1097389533 /nfs/dbraw/zinc/38/95/33/1097389533.db2.gz PFZGUVZONPIRCD-UHFFFAOYSA-N -1 3 337.431 2.882 20 30 EFEDHM N#CC1CCC(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC001606344624 1097389539 /nfs/dbraw/zinc/38/95/39/1097389539.db2.gz PFZGUVZONPIRCD-UHFFFAOYSA-N -1 3 337.431 2.882 20 30 EFEDHM N#CC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC001606343645 1097389609 /nfs/dbraw/zinc/38/96/09/1097389609.db2.gz QIDJOJZUWFRDJD-UHFFFAOYSA-N -1 3 345.794 2.726 20 30 EFEDHM N#CC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC001606343645 1097389615 /nfs/dbraw/zinc/38/96/15/1097389615.db2.gz QIDJOJZUWFRDJD-UHFFFAOYSA-N -1 3 345.794 2.726 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(C(F)F)o2)ccc1-c1nnn[n-]1 ZINC001606361688 1097392110 /nfs/dbraw/zinc/39/21/10/1097392110.db2.gz XEVHHWMKODUACT-UHFFFAOYSA-N -1 3 330.254 2.521 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(C(F)F)o2)ccc1-c1nn[n-]n1 ZINC001606361688 1097392115 /nfs/dbraw/zinc/39/21/15/1097392115.db2.gz XEVHHWMKODUACT-UHFFFAOYSA-N -1 3 330.254 2.521 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC001606361383 1097392212 /nfs/dbraw/zinc/39/22/12/1097392212.db2.gz PMTWFUHYGHWFDI-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC001606361383 1097392218 /nfs/dbraw/zinc/39/22/18/1097392218.db2.gz PMTWFUHYGHWFDI-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)C2CCC(C3CC3)CC2)ccc1-c1nnn[n-]1 ZINC001606361051 1097393172 /nfs/dbraw/zinc/39/31/72/1097393172.db2.gz CIDAVNJJHKHXJL-UHFFFAOYSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(NC(=O)C2CCC(C3CC3)CC2)ccc1-c1nn[n-]n1 ZINC001606361051 1097393179 /nfs/dbraw/zinc/39/31/79/1097393179.db2.gz CIDAVNJJHKHXJL-UHFFFAOYSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001606373103 1097393647 /nfs/dbraw/zinc/39/36/47/1097393647.db2.gz YFGUHBPZGCFIRC-LSDHHAIUSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001606373103 1097393652 /nfs/dbraw/zinc/39/36/52/1097393652.db2.gz YFGUHBPZGCFIRC-LSDHHAIUSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC001606367353 1097394080 /nfs/dbraw/zinc/39/40/80/1097394080.db2.gz GVTROVUGNMYOHI-UHFFFAOYSA-N -1 3 348.244 2.602 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC001606367353 1097394083 /nfs/dbraw/zinc/39/40/83/1097394083.db2.gz GVTROVUGNMYOHI-UHFFFAOYSA-N -1 3 348.244 2.602 20 30 EFEDHM N#Cc1ccc(C2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC001606367266 1097394249 /nfs/dbraw/zinc/39/42/49/1097394249.db2.gz GFHBGPOXQZUQLJ-UHFFFAOYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1ccc(C2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC001606367266 1097394250 /nfs/dbraw/zinc/39/42/50/1097394250.db2.gz GFHBGPOXQZUQLJ-UHFFFAOYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1ccc(CCN2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001606367585 1097394277 /nfs/dbraw/zinc/39/42/77/1097394277.db2.gz LVGIYLSHKJRNMY-UHFFFAOYSA-N -1 3 330.395 2.734 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2c3ccccc3[nH]c2C1 ZINC001606379683 1097395096 /nfs/dbraw/zinc/39/50/96/1097395096.db2.gz IOFLSFPQEAIWNF-UHFFFAOYSA-N -1 3 341.378 2.782 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2c3ccccc3[nH]c2C1 ZINC001606379683 1097395104 /nfs/dbraw/zinc/39/51/04/1097395104.db2.gz IOFLSFPQEAIWNF-UHFFFAOYSA-N -1 3 341.378 2.782 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCSc1nccs1 ZINC001606379536 1097395931 /nfs/dbraw/zinc/39/59/31/1097395931.db2.gz CPICCFNJVIOPLD-UHFFFAOYSA-N -1 3 343.441 2.789 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCSc1nccs1 ZINC001606379536 1097395935 /nfs/dbraw/zinc/39/59/35/1097395935.db2.gz CPICCFNJVIOPLD-UHFFFAOYSA-N -1 3 343.441 2.789 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCNc1cccc(F)c1 ZINC001606379653 1097396004 /nfs/dbraw/zinc/39/60/04/1097396004.db2.gz HLHLATXKHUOJQL-UHFFFAOYSA-N -1 3 337.362 2.792 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCNc1cccc(F)c1 ZINC001606379653 1097396009 /nfs/dbraw/zinc/39/60/09/1097396009.db2.gz HLHLATXKHUOJQL-UHFFFAOYSA-N -1 3 337.362 2.792 20 30 EFEDHM N#Cc1cccc(-c2nnc(CCc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC001606381236 1097396594 /nfs/dbraw/zinc/39/65/94/1097396594.db2.gz JZIRORGWPAIVEX-UHFFFAOYSA-N -1 3 343.350 2.574 20 30 EFEDHM N#Cc1cccc(-c2nnc(CCc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC001606381236 1097396600 /nfs/dbraw/zinc/39/66/00/1097396600.db2.gz JZIRORGWPAIVEX-UHFFFAOYSA-N -1 3 343.350 2.574 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCN1CCCc2ccccc21 ZINC001606380121 1097396629 /nfs/dbraw/zinc/39/66/29/1097396629.db2.gz QROYPOKZZYKMBS-UHFFFAOYSA-N -1 3 345.410 2.603 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCN1CCCc2ccccc21 ZINC001606380121 1097396637 /nfs/dbraw/zinc/39/66/37/1097396637.db2.gz QROYPOKZZYKMBS-UHFFFAOYSA-N -1 3 345.410 2.603 20 30 EFEDHM N#Cc1ccccc1OCCN1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001606385019 1097396913 /nfs/dbraw/zinc/39/69/13/1097396913.db2.gz LKTJOYHTWAQWRA-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1ccccc1OCCN1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001606385019 1097396916 /nfs/dbraw/zinc/39/69/16/1097396916.db2.gz LKTJOYHTWAQWRA-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001606381485 1097396925 /nfs/dbraw/zinc/39/69/25/1097396925.db2.gz OLOOHRIGYYQFJI-CQSZACIVSA-N -1 3 348.385 2.946 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001606381485 1097396927 /nfs/dbraw/zinc/39/69/27/1097396927.db2.gz OLOOHRIGYYQFJI-CQSZACIVSA-N -1 3 348.385 2.946 20 30 EFEDHM N#Cc1ccccc1N(C(=O)c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001606384876 1097396995 /nfs/dbraw/zinc/39/69/95/1097396995.db2.gz HTHRKYDYCFPPPL-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1ccccc1N(C(=O)c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001606384876 1097396998 /nfs/dbraw/zinc/39/69/98/1097396998.db2.gz HTHRKYDYCFPPPL-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1noc2cc(F)ccc12 ZINC001606380065 1097397046 /nfs/dbraw/zinc/39/70/46/1097397046.db2.gz QFIXKCNXTAIKSU-UHFFFAOYSA-N -1 3 335.302 2.631 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1noc2cc(F)ccc12 ZINC001606380065 1097397050 /nfs/dbraw/zinc/39/70/50/1097397050.db2.gz QFIXKCNXTAIKSU-UHFFFAOYSA-N -1 3 335.302 2.631 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccc2cccnc2c1 ZINC001606380409 1097397162 /nfs/dbraw/zinc/39/71/62/1097397162.db2.gz XHYZAHUHGQORAC-UHFFFAOYSA-N -1 3 327.351 2.899 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc2cccnc2c1 ZINC001606380409 1097397163 /nfs/dbraw/zinc/39/71/63/1097397163.db2.gz XHYZAHUHGQORAC-UHFFFAOYSA-N -1 3 327.351 2.899 20 30 EFEDHM N#Cc1csc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC001606388991 1097398003 /nfs/dbraw/zinc/39/80/03/1097398003.db2.gz IYMHMLIXMVXZAP-ARJAWSKDSA-N -1 3 342.771 2.744 20 30 EFEDHM N#Cc1csc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001606388991 1097398009 /nfs/dbraw/zinc/39/80/09/1097398009.db2.gz IYMHMLIXMVXZAP-ARJAWSKDSA-N -1 3 342.771 2.744 20 30 EFEDHM N#Cc1cnccc1N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606389172 1097398841 /nfs/dbraw/zinc/39/88/41/1097398841.db2.gz LELITZRRWQSHJR-UHFFFAOYSA-N -1 3 331.383 2.517 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C2CCC2)c1 ZINC001606482360 1097405655 /nfs/dbraw/zinc/40/56/55/1097405655.db2.gz MEUVRASEYVMILG-GQCTYLIASA-N -1 3 326.385 2.746 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc2[nH]c(=O)oc2c1 ZINC001606486053 1097406890 /nfs/dbraw/zinc/40/68/90/1097406890.db2.gz RIDWYEGXCSFCPD-VURMDHGXSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc2[nH]c(=O)oc2c1 ZINC001606486053 1097406896 /nfs/dbraw/zinc/40/68/96/1097406896.db2.gz RIDWYEGXCSFCPD-VURMDHGXSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C1C(=Cc2cccc3c2CCC3)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001607038404 1097501205 /nfs/dbraw/zinc/50/12/05/1097501205.db2.gz YAVDZPIVOBDQKO-DHDCSXOGSA-N -1 3 343.390 2.963 20 30 EFEDHM O=C1C(=Cc2cccc3c2CCC3)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001607038404 1097501208 /nfs/dbraw/zinc/50/12/08/1097501208.db2.gz YAVDZPIVOBDQKO-DHDCSXOGSA-N -1 3 343.390 2.963 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1 ZINC001607461295 1097632677 /nfs/dbraw/zinc/63/26/77/1097632677.db2.gz YAIMQBUDYYWRHA-MEDUHNTESA-N -1 3 325.324 2.943 20 30 EFEDHM C[C@H]1CN(Cc2cc(C#N)ccc2Br)C[C@]1(C)C(=O)[O-] ZINC001607478138 1097636879 /nfs/dbraw/zinc/63/68/79/1097636879.db2.gz YHFLBZMNJYMZCE-BONVTDFDSA-N -1 3 337.217 2.863 20 30 EFEDHM N#Cc1cc(CN[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)ccc1F ZINC001608196467 1097858247 /nfs/dbraw/zinc/85/82/47/1097858247.db2.gz CDRDYAGDIGDHHQ-KRWDZBQOSA-N -1 3 326.327 2.548 20 30 EFEDHM O=C([O-])[C@H]1[C@@H](CNCC#Cc2ccc(C(F)(F)F)cc2)C1(F)F ZINC001608595978 1097963808 /nfs/dbraw/zinc/96/38/08/1097963808.db2.gz GTMWYCZCGWHREV-VXGBXAGGSA-N -1 3 333.256 2.612 20 30 EFEDHM C#CCOc1ccc(C=Cc2ccncc2-c2nnn[n-]2)cc1OCC ZINC001609021677 1098114035 /nfs/dbraw/zinc/11/40/35/1098114035.db2.gz SYASTRQRVYWMJG-FNORWQNLSA-N -1 3 347.378 2.843 20 30 EFEDHM C#CCOc1ccc(C=Cc2ccncc2-c2nn[n-]n2)cc1OCC ZINC001609021677 1098114042 /nfs/dbraw/zinc/11/40/42/1098114042.db2.gz SYASTRQRVYWMJG-FNORWQNLSA-N -1 3 347.378 2.843 20 30 EFEDHM C=C(CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001609052091 1098121851 /nfs/dbraw/zinc/12/18/51/1098121851.db2.gz KVQDCUDBDFOUGF-UHFFFAOYSA-N -1 3 348.410 2.722 20 30 EFEDHM C=C(CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001609052091 1098121856 /nfs/dbraw/zinc/12/18/56/1098121856.db2.gz KVQDCUDBDFOUGF-UHFFFAOYSA-N -1 3 348.410 2.722 20 30 EFEDHM C=CC[C@H](CC)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001609053208 1098122773 /nfs/dbraw/zinc/12/27/73/1098122773.db2.gz FOFQEGOVZAITNJ-AWEZNQCLSA-N -1 3 331.445 2.571 20 30 EFEDHM C=CC[C@H](CC)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001609053208 1098122780 /nfs/dbraw/zinc/12/27/80/1098122780.db2.gz FOFQEGOVZAITNJ-AWEZNQCLSA-N -1 3 331.445 2.571 20 30 EFEDHM C=CCCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609054990 1098122912 /nfs/dbraw/zinc/12/29/12/1098122912.db2.gz NAFMOQPVLIUJME-UHFFFAOYSA-N -1 3 340.309 2.925 20 30 EFEDHM C=CCCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609054990 1098122913 /nfs/dbraw/zinc/12/29/13/1098122913.db2.gz NAFMOQPVLIUJME-UHFFFAOYSA-N -1 3 340.309 2.925 20 30 EFEDHM C=CC[C@@H](C)NC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052707 1098122967 /nfs/dbraw/zinc/12/29/67/1098122967.db2.gz NOESDDBBXCIVGW-IAQYHMDHSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CC[C@@H](C)NC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052707 1098122968 /nfs/dbraw/zinc/12/29/68/1098122968.db2.gz NOESDDBBXCIVGW-IAQYHMDHSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609053335 1098123083 /nfs/dbraw/zinc/12/30/83/1098123083.db2.gz IWBVEKQKEMPNOQ-IUODEOHRSA-N -1 3 328.420 2.924 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609053335 1098123086 /nfs/dbraw/zinc/12/30/86/1098123086.db2.gz IWBVEKQKEMPNOQ-IUODEOHRSA-N -1 3 328.420 2.924 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609052349 1098123107 /nfs/dbraw/zinc/12/31/07/1098123107.db2.gz YUIJSGKJMJKBHV-PXAZEXFGSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609052349 1098123109 /nfs/dbraw/zinc/12/31/09/1098123109.db2.gz YUIJSGKJMJKBHV-PXAZEXFGSA-N -1 3 330.388 2.700 20 30 EFEDHM C=CCC(C)(C)COC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001609052987 1098123264 /nfs/dbraw/zinc/12/32/64/1098123264.db2.gz XYLOHQWOKNSMTA-GFCCVEGCSA-N -1 3 330.388 2.780 20 30 EFEDHM C=CCC(C)(C)COC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001609052987 1098123267 /nfs/dbraw/zinc/12/32/67/1098123267.db2.gz XYLOHQWOKNSMTA-GFCCVEGCSA-N -1 3 330.388 2.780 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609053769 1098123426 /nfs/dbraw/zinc/12/34/26/1098123426.db2.gz RDLNOSRNVIAHRP-GDBMZVCRSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609053769 1098123428 /nfs/dbraw/zinc/12/34/28/1098123428.db2.gz RDLNOSRNVIAHRP-GDBMZVCRSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCC1(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001609053521 1098123584 /nfs/dbraw/zinc/12/35/84/1098123584.db2.gz LPVMHEZUILTWFI-UHFFFAOYSA-N -1 3 340.431 2.945 20 30 EFEDHM C=CCC1(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001609053521 1098123589 /nfs/dbraw/zinc/12/35/89/1098123589.db2.gz LPVMHEZUILTWFI-UHFFFAOYSA-N -1 3 340.431 2.945 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)CC=C ZINC001609056374 1098124263 /nfs/dbraw/zinc/12/42/63/1098124263.db2.gz GJEDVKUFWMHNPI-UHFFFAOYSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(C)CC=C ZINC001609056374 1098124265 /nfs/dbraw/zinc/12/42/65/1098124265.db2.gz GJEDVKUFWMHNPI-UHFFFAOYSA-N -1 3 325.416 2.984 20 30 EFEDHM CC(N=Nc1cccc(F)n1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001609061177 1098125456 /nfs/dbraw/zinc/12/54/56/1098125456.db2.gz JKZOTZIZWNINQA-UHFFFAOYSA-N -1 3 331.742 2.890 20 30 EFEDHM CC(=NNCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC001609061317 1098125584 /nfs/dbraw/zinc/12/55/84/1098125584.db2.gz WGOKZCWWNUDJJV-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC001609061317 1098125586 /nfs/dbraw/zinc/12/55/86/1098125586.db2.gz WGOKZCWWNUDJJV-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM C=CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609058620 1098125851 /nfs/dbraw/zinc/12/58/51/1098125851.db2.gz KDNPAYDSIRGZLA-UHFFFAOYSA-N -1 3 336.355 2.967 20 30 EFEDHM C=CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609058620 1098125857 /nfs/dbraw/zinc/12/58/57/1098125857.db2.gz KDNPAYDSIRGZLA-UHFFFAOYSA-N -1 3 336.355 2.967 20 30 EFEDHM C=CCn1c(C)nnc1S[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609059410 1098126420 /nfs/dbraw/zinc/12/64/20/1098126420.db2.gz LXFKDMGOUVKQHQ-JTQLQIEISA-N -1 3 327.417 2.806 20 30 EFEDHM C=CCn1c(C)nnc1S[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609059410 1098126423 /nfs/dbraw/zinc/12/64/23/1098126423.db2.gz LXFKDMGOUVKQHQ-JTQLQIEISA-N -1 3 327.417 2.806 20 30 EFEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(F)c(N)c(F)c1 ZINC001609061363 1098127469 /nfs/dbraw/zinc/12/74/69/1098127469.db2.gz ZQIOXGFKTQTDGN-UHFFFAOYSA-N -1 3 329.314 2.563 20 30 EFEDHM CC(C)(CC#N)CNc1ccc(Br)cc1-c1nnn[n-]1 ZINC001609082972 1098135678 /nfs/dbraw/zinc/13/56/78/1098135678.db2.gz ONLQFIKNBCOTPX-UHFFFAOYSA-N -1 3 335.209 2.981 20 30 EFEDHM CC(C)(CC#N)CNc1ccc(Br)cc1-c1nn[n-]n1 ZINC001609082972 1098135680 /nfs/dbraw/zinc/13/56/80/1098135680.db2.gz ONLQFIKNBCOTPX-UHFFFAOYSA-N -1 3 335.209 2.981 20 30 EFEDHM CC(C)(CCC#N)CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609083034 1098136072 /nfs/dbraw/zinc/13/60/72/1098136072.db2.gz RTFBABYJITUXKV-UHFFFAOYSA-N -1 3 332.795 2.580 20 30 EFEDHM CC(C)(CCC#N)CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609083034 1098136075 /nfs/dbraw/zinc/13/60/75/1098136075.db2.gz RTFBABYJITUXKV-UHFFFAOYSA-N -1 3 332.795 2.580 20 30 EFEDHM CC(C)n1nccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001609107824 1098147949 /nfs/dbraw/zinc/14/79/49/1098147949.db2.gz MEKWFPYFSLGBFP-GQCTYLIASA-N -1 3 326.335 2.679 20 30 EFEDHM CC(C)n1nccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001609107824 1098147956 /nfs/dbraw/zinc/14/79/56/1098147956.db2.gz MEKWFPYFSLGBFP-GQCTYLIASA-N -1 3 326.335 2.679 20 30 EFEDHM C[C@@H]1C[C@@H](c2cccnc2)N(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001609159624 1098174394 /nfs/dbraw/zinc/17/43/94/1098174394.db2.gz QNQOROIWYJOYMQ-WBMJQRKESA-N -1 3 331.383 2.721 20 30 EFEDHM C[C@@H]1C[C@@H](c2cccnc2)N(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001609159624 1098174399 /nfs/dbraw/zinc/17/43/99/1098174399.db2.gz QNQOROIWYJOYMQ-WBMJQRKESA-N -1 3 331.383 2.721 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3ccc([O-])cc3)CC2)C1=O ZINC001269482591 1098175191 /nfs/dbraw/zinc/17/51/91/1098175191.db2.gz DJJOHXKDUPYCOO-HXUWFJFHSA-N -1 3 342.439 2.813 20 30 EFEDHM CCCCOc1ncccc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609211280 1098203352 /nfs/dbraw/zinc/20/33/52/1098203352.db2.gz TWUHWDBZIPMYOE-UHFFFAOYSA-N -1 3 349.398 2.924 20 30 EFEDHM CCCCOc1ncccc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609211280 1098203359 /nfs/dbraw/zinc/20/33/59/1098203359.db2.gz TWUHWDBZIPMYOE-UHFFFAOYSA-N -1 3 349.398 2.924 20 30 EFEDHM CCN(C(=O)C#CC(C)(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609218774 1098208856 /nfs/dbraw/zinc/20/88/56/1098208856.db2.gz GIBXNDFWEZWDBY-CYBMUJFWSA-N -1 3 325.416 2.826 20 30 EFEDHM CCN(C(=O)C#CC(C)(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609218774 1098208865 /nfs/dbraw/zinc/20/88/65/1098208865.db2.gz GIBXNDFWEZWDBY-CYBMUJFWSA-N -1 3 325.416 2.826 20 30 EFEDHM CCOc1ccc(NN=Cc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC001609245590 1098219144 /nfs/dbraw/zinc/21/91/44/1098219144.db2.gz ZWAGVINTAZXRJI-UHFFFAOYSA-N -1 3 344.325 2.990 20 30 EFEDHM CCOc1ccc(NN=Cc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC001609245590 1098219152 /nfs/dbraw/zinc/21/91/52/1098219152.db2.gz ZWAGVINTAZXRJI-UHFFFAOYSA-N -1 3 344.325 2.990 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CC#Cc2ccccc2)s1 ZINC001609250006 1098222669 /nfs/dbraw/zinc/22/26/69/1098222669.db2.gz GXNYQEAPOCHYLV-UHFFFAOYSA-N -1 3 337.408 2.871 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CC#Cc2ccccc2)s1 ZINC001609250006 1098222678 /nfs/dbraw/zinc/22/26/78/1098222678.db2.gz GXNYQEAPOCHYLV-UHFFFAOYSA-N -1 3 337.408 2.871 20 30 EFEDHM CCc1ccc([C@H](C#N)NC(=O)c2cccc(-c3nnn[n-]3)c2C)cc1 ZINC001609252435 1098225098 /nfs/dbraw/zinc/22/50/98/1098225098.db2.gz WYWNIJHQPNKYGX-KRWDZBQOSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1ccc([C@H](C#N)NC(=O)c2cccc(-c3nn[n-]n3)c2C)cc1 ZINC001609252435 1098225103 /nfs/dbraw/zinc/22/51/03/1098225103.db2.gz WYWNIJHQPNKYGX-KRWDZBQOSA-N -1 3 346.394 2.732 20 30 EFEDHM CO[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C12CCC2 ZINC001609313654 1098245164 /nfs/dbraw/zinc/24/51/64/1098245164.db2.gz PCZPKPVGPSESOG-CYBMUJFWSA-N -1 3 332.795 2.877 20 30 EFEDHM CO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C12CCC2 ZINC001609313654 1098245167 /nfs/dbraw/zinc/24/51/67/1098245167.db2.gz PCZPKPVGPSESOG-CYBMUJFWSA-N -1 3 332.795 2.877 20 30 EFEDHM COc1cc(C=CC(=O)c2scnc2C)ccc1-c1nnn[n-]1 ZINC001609341166 1098255473 /nfs/dbraw/zinc/25/54/73/1098255473.db2.gz BLKMWRITHQGRTH-GQCTYLIASA-N -1 3 327.369 2.536 20 30 EFEDHM COc1cc(C=CC(=O)c2scnc2C)ccc1-c1nn[n-]n1 ZINC001609341166 1098255477 /nfs/dbraw/zinc/25/54/77/1098255477.db2.gz BLKMWRITHQGRTH-GQCTYLIASA-N -1 3 327.369 2.536 20 30 EFEDHM COc1cc(CNc2cc(C(C)=O)ccc2C#N)ccc1-c1nnn[n-]1 ZINC001609345442 1098256132 /nfs/dbraw/zinc/25/61/32/1098256132.db2.gz IKJOMPTYKKWVPS-UHFFFAOYSA-N -1 3 348.366 2.562 20 30 EFEDHM COc1cc(CNc2cc(C(C)=O)ccc2C#N)ccc1-c1nn[n-]n1 ZINC001609345442 1098256137 /nfs/dbraw/zinc/25/61/37/1098256137.db2.gz IKJOMPTYKKWVPS-UHFFFAOYSA-N -1 3 348.366 2.562 20 30 EFEDHM COc1cc(Oc2nc(C)c(C#N)cc2Cl)ccc1-c1nnn[n-]1 ZINC001609348191 1098258160 /nfs/dbraw/zinc/25/81/60/1098258160.db2.gz IWXSUJSWDFEGDZ-UHFFFAOYSA-N -1 3 342.746 2.896 20 30 EFEDHM COc1cc(Oc2nc(C)c(C#N)cc2Cl)ccc1-c1nn[n-]n1 ZINC001609348191 1098258167 /nfs/dbraw/zinc/25/81/67/1098258167.db2.gz IWXSUJSWDFEGDZ-UHFFFAOYSA-N -1 3 342.746 2.896 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1NCc1cn2ccccc2c1C#N ZINC001609351086 1098260928 /nfs/dbraw/zinc/26/09/28/1098260928.db2.gz BDENPSKTRTWEIO-UHFFFAOYSA-N -1 3 345.366 2.612 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1NCc1cn2ccccc2c1C#N ZINC001609351086 1098260933 /nfs/dbraw/zinc/26/09/33/1098260933.db2.gz BDENPSKTRTWEIO-UHFFFAOYSA-N -1 3 345.366 2.612 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(OC)c2)cc1 ZINC001609352329 1098262139 /nfs/dbraw/zinc/26/21/39/1098262139.db2.gz XVGDGRDKMUAMPT-WMZJFQQLSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(OC)c2)cc1 ZINC001609352329 1098262144 /nfs/dbraw/zinc/26/21/44/1098262144.db2.gz XVGDGRDKMUAMPT-WMZJFQQLSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)c(C)c1)CO2 ZINC001609359439 1098265419 /nfs/dbraw/zinc/26/54/19/1098265419.db2.gz QARZNUOYOUOZNN-MDWZMJQESA-N -1 3 348.362 2.842 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)c(C)c1)CO2 ZINC001609359439 1098265426 /nfs/dbraw/zinc/26/54/26/1098265426.db2.gz QARZNUOYOUOZNN-MDWZMJQESA-N -1 3 348.362 2.842 20 30 EFEDHM COc1cccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1F ZINC001609360658 1098265575 /nfs/dbraw/zinc/26/55/75/1098265575.db2.gz GWCMPGGZFMMVLJ-MDWZMJQESA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1F ZINC001609360658 1098265579 /nfs/dbraw/zinc/26/55/79/1098265579.db2.gz GWCMPGGZFMMVLJ-MDWZMJQESA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc2c1CCC(N=Nc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001609362683 1098267667 /nfs/dbraw/zinc/26/76/67/1098267667.db2.gz CUKXOOUYDQASHI-UHFFFAOYSA-N -1 3 334.383 2.832 20 30 EFEDHM COc1cccc2c1CCC(N=Nc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001609362683 1098267673 /nfs/dbraw/zinc/26/76/73/1098267673.db2.gz CUKXOOUYDQASHI-UHFFFAOYSA-N -1 3 334.383 2.832 20 30 EFEDHM Cc1c(C(=O)OCC#Cc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC001609382383 1098276636 /nfs/dbraw/zinc/27/66/36/1098276636.db2.gz ZTJDIGJLZYCTOA-UHFFFAOYSA-N -1 3 336.326 2.523 20 30 EFEDHM Cc1c(C(=O)OCC#Cc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC001609382383 1098276642 /nfs/dbraw/zinc/27/66/42/1098276642.db2.gz ZTJDIGJLZYCTOA-UHFFFAOYSA-N -1 3 336.326 2.523 20 30 EFEDHM Cc1cc(C=CC(=O)c2c[nH]c3ncccc23)ccc1-c1nn[n-]n1 ZINC001609399641 1098289508 /nfs/dbraw/zinc/28/95/08/1098289508.db2.gz JFKMGQKZAIVQIU-FNORWQNLSA-N -1 3 330.351 2.948 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1CCC(C#N)CC1 ZINC001609415277 1098300175 /nfs/dbraw/zinc/30/01/75/1098300175.db2.gz LHJOFGFQAAXINO-UHFFFAOYSA-N -1 3 339.403 2.627 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1CCC(C#N)CC1 ZINC001609415277 1098300178 /nfs/dbraw/zinc/30/01/78/1098300178.db2.gz LHJOFGFQAAXINO-UHFFFAOYSA-N -1 3 339.403 2.627 20 30 EFEDHM Cc1nc(F)ccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609450681 1098329628 /nfs/dbraw/zinc/32/96/28/1098329628.db2.gz QGPPCIPIXKKALH-UHFFFAOYSA-N -1 3 331.742 2.809 20 30 EFEDHM Cc1nc(F)ccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609450681 1098329633 /nfs/dbraw/zinc/32/96/33/1098329633.db2.gz QGPPCIPIXKKALH-UHFFFAOYSA-N -1 3 331.742 2.809 20 30 EFEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl)C1CCCCC1 ZINC001609494095 1098360739 /nfs/dbraw/zinc/36/07/39/1098360739.db2.gz VAVUNIDTUHYPPK-CQSZACIVSA-N -1 3 344.806 2.722 20 30 EFEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C1CCCCC1 ZINC001609494095 1098360748 /nfs/dbraw/zinc/36/07/48/1098360748.db2.gz VAVUNIDTUHYPPK-CQSZACIVSA-N -1 3 344.806 2.722 20 30 EFEDHM N#CC[C@@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC001609494480 1098360894 /nfs/dbraw/zinc/36/08/94/1098360894.db2.gz FDWCVGFXGLEJHI-LBPRGKRZSA-N -1 3 338.396 2.954 20 30 EFEDHM N#CC[C@@H](CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC001609494480 1098360898 /nfs/dbraw/zinc/36/08/98/1098360898.db2.gz FDWCVGFXGLEJHI-LBPRGKRZSA-N -1 3 338.396 2.954 20 30 EFEDHM N#Cc1c2c(nc(N3CC(C4CC4)C3)c1-c1nnn[n-]1)CCCCCC2 ZINC001609496835 1098361642 /nfs/dbraw/zinc/36/16/42/1098361642.db2.gz JGGQSRYJWMQDCR-UHFFFAOYSA-N -1 3 349.442 2.639 20 30 EFEDHM N#Cc1c2c(nc(N3CC(C4CC4)C3)c1-c1nn[n-]n1)CCCCCC2 ZINC001609496835 1098361648 /nfs/dbraw/zinc/36/16/48/1098361648.db2.gz JGGQSRYJWMQDCR-UHFFFAOYSA-N -1 3 349.442 2.639 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC001609498471 1098361782 /nfs/dbraw/zinc/36/17/82/1098361782.db2.gz MKHOUUKSDUGLOE-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC001609498471 1098361789 /nfs/dbraw/zinc/36/17/89/1098361789.db2.gz MKHOUUKSDUGLOE-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1Cl ZINC001609498604 1098362162 /nfs/dbraw/zinc/36/21/62/1098362162.db2.gz KJRQZBVFBAKLHJ-UHFFFAOYSA-N -1 3 349.741 2.516 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1Cl ZINC001609498604 1098362172 /nfs/dbraw/zinc/36/21/72/1098362172.db2.gz KJRQZBVFBAKLHJ-UHFFFAOYSA-N -1 3 349.741 2.516 20 30 EFEDHM N#Cc1cc(NC(=O)c2cscc2-c2nnn[n-]2)ccc1Cl ZINC001609497666 1098362850 /nfs/dbraw/zinc/36/28/50/1098362850.db2.gz CQUOEKDJCBFELC-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)c2cscc2-c2nn[n-]n2)ccc1Cl ZINC001609497666 1098362857 /nfs/dbraw/zinc/36/28/57/1098362857.db2.gz CQUOEKDJCBFELC-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccc(Br)o1 ZINC001609500105 1098363110 /nfs/dbraw/zinc/36/31/10/1098363110.db2.gz ZTQAYPUGCCGNQV-UHFFFAOYSA-N -1 3 345.160 2.706 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc(Br)o1 ZINC001609500105 1098363118 /nfs/dbraw/zinc/36/31/18/1098363118.db2.gz ZTQAYPUGCCGNQV-UHFFFAOYSA-N -1 3 345.160 2.706 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCOC2(C1)CCCCCC2 ZINC001609499608 1098363349 /nfs/dbraw/zinc/36/33/49/1098363349.db2.gz AQTBHCLWWLDIGU-UHFFFAOYSA-N -1 3 338.415 2.668 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCOC2(C1)CCCCCC2 ZINC001609499608 1098363355 /nfs/dbraw/zinc/36/33/55/1098363355.db2.gz AQTBHCLWWLDIGU-UHFFFAOYSA-N -1 3 338.415 2.668 20 30 EFEDHM N#Cc1cccc(NC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)c1 ZINC001609500346 1098363414 /nfs/dbraw/zinc/36/34/14/1098363414.db2.gz SSOARXDLMLYPRN-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cccc(NC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)c1 ZINC001609500346 1098363419 /nfs/dbraw/zinc/36/34/19/1098363419.db2.gz SSOARXDLMLYPRN-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cccc(COC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)c1 ZINC001609500430 1098364538 /nfs/dbraw/zinc/36/45/38/1098364538.db2.gz YRHORNVEMRYDNW-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1cccc(COC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC001609500430 1098364545 /nfs/dbraw/zinc/36/45/45/1098364545.db2.gz YRHORNVEMRYDNW-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)Oc2cc(F)cc(F)c21 ZINC001609585967 1098393255 /nfs/dbraw/zinc/39/32/55/1098393255.db2.gz MKHHPNDMYQXFTN-ACAGNQJTSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)Oc2cc(F)cc(F)c21 ZINC001609585967 1098393263 /nfs/dbraw/zinc/39/32/63/1098393263.db2.gz MKHHPNDMYQXFTN-ACAGNQJTSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)Oc2cc(F)cc(F)c21 ZINC001609585925 1098393301 /nfs/dbraw/zinc/39/33/01/1098393301.db2.gz KPLZXFTUVYQBCZ-YIXHJXPBSA-N -1 3 344.252 2.900 20 30 EFEDHM O=C1C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)Oc2cc(F)cc(F)c21 ZINC001609585925 1098393307 /nfs/dbraw/zinc/39/33/07/1098393307.db2.gz KPLZXFTUVYQBCZ-YIXHJXPBSA-N -1 3 344.252 2.900 20 30 EFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC001610629884 1098793478 /nfs/dbraw/zinc/79/34/78/1098793478.db2.gz GFZMRPCAOQTXQY-BRWVUGGUSA-N -1 3 326.396 2.717 20 30 EFEDHM CC(C)C[C@@H](CNc1ccc(C#N)cn1)NC(=O)c1ccccc1[O-] ZINC001104897077 1098937144 /nfs/dbraw/zinc/93/71/44/1098937144.db2.gz BSQVWKFVQSCJSB-HNNXBMFYSA-N -1 3 338.411 2.915 20 30 EFEDHM C=C(C)C(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059195983 1099516209 /nfs/dbraw/zinc/51/62/09/1099516209.db2.gz NGTPUURGWIIQHH-OAHLLOKOSA-N -1 3 344.455 2.963 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1Br ZINC001639394611 1100944037 /nfs/dbraw/zinc/94/40/37/1100944037.db2.gz NSEDVSWDOISEQN-UHFFFAOYSA-N -1 3 342.156 2.844 20 30 EFEDHM Cc1ccc(-c2nc(NC(=O)c3cc(C#N)cc(N(C)C)c3)n[n-]2)o1 ZINC001641359195 1101128695 /nfs/dbraw/zinc/12/86/95/1101128695.db2.gz DYILITKTSWTHOI-UHFFFAOYSA-N -1 3 336.355 2.563 20 30 EFEDHM C=CCCCCCCCN1CCN(CCCCS(=O)(=O)[O-])CC1 ZINC001209442431 1101899071 /nfs/dbraw/zinc/89/90/71/1101899071.db2.gz RULLUMQVGLWYFQ-UHFFFAOYSA-N -1 3 346.537 2.799 20 30 EFEDHM C=CCN1CC[C@]2(CCCN(C(=O)c3c(C)cccc3[O-])CC2)C1=O ZINC001271653122 1102214247 /nfs/dbraw/zinc/21/42/47/1102214247.db2.gz ORFARVAPTSGOGE-HXUWFJFHSA-N -1 3 342.439 2.731 20 30 EFEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142534322 1106240164 /nfs/dbraw/zinc/24/01/64/1106240164.db2.gz FNJPSVOKTYSJIM-GFCCVEGCSA-N -1 3 326.343 2.547 20 30 EFEDHM CC#CCCCC(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060156636 1106971731 /nfs/dbraw/zinc/97/17/31/1106971731.db2.gz JSRIUQZQQZQUNF-MRXNPFEDSA-N -1 3 342.439 2.554 20 30 EFEDHM O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N([O-])Cc1ccccc1Cl ZINC000904187882 1107675178 /nfs/dbraw/zinc/67/51/78/1107675178.db2.gz VTQBEDHHYSLFGI-ZDUSSCGKSA-N -1 3 348.786 2.700 20 30 EFEDHM CN(CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C(=O)C1CC1 ZINC000904183305 1107675737 /nfs/dbraw/zinc/67/57/37/1107675737.db2.gz ZTKTWPCCWFLZAH-UHFFFAOYSA-N -1 3 331.199 2.580 20 30 EFEDHM CCC[C@@H](CCCS(C)(=O)=O)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904172802 1107689183 /nfs/dbraw/zinc/68/91/83/1107689183.db2.gz CJKARFNLIXIBOM-AWEZNQCLSA-N -1 3 345.436 2.785 20 30 EFEDHM O=C(Cc1cccc(N2CCCC2=O)c1)N([O-])Cc1ccc(F)cc1 ZINC000904173284 1107689203 /nfs/dbraw/zinc/68/92/03/1107689203.db2.gz IFHKDFJOLMDRIZ-UHFFFAOYSA-N -1 3 342.370 2.913 20 30 EFEDHM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173301 1107690274 /nfs/dbraw/zinc/69/02/74/1107690274.db2.gz ITYOTRDFTQJPCV-CYBMUJFWSA-N -1 3 326.368 2.847 20 30 EFEDHM O=C(c1cccc(CN2CCOCC2)c1)N([O-])Cc1ccc(F)cc1 ZINC000904174476 1107690565 /nfs/dbraw/zinc/69/05/65/1107690565.db2.gz BXIAPOJSQVHILB-UHFFFAOYSA-N -1 3 344.386 2.690 20 30 EFEDHM C[C@H](CNC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177796 1107695272 /nfs/dbraw/zinc/69/52/72/1107695272.db2.gz OGTMEJUFKSZPAV-LLVKDONJSA-N -1 3 326.368 2.704 20 30 EFEDHM O=C(c1ccccc1)N1CC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000904178589 1107695400 /nfs/dbraw/zinc/69/54/00/1107695400.db2.gz OYGXIUJVHXRACE-INIZCTEOSA-N -1 3 342.370 2.706 20 30 EFEDHM CCCCN([O-])C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000904208946 1107700027 /nfs/dbraw/zinc/70/00/27/1107700027.db2.gz NNRYADJDRKPMMJ-MDZDMXLPSA-N -1 3 330.428 2.956 20 30 EFEDHM O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N([O-])Cc1ccccc1Cl ZINC000904189082 1107701348 /nfs/dbraw/zinc/70/13/48/1107701348.db2.gz ZFECWNKCVIHSPN-UHFFFAOYSA-N -1 3 347.802 2.936 20 30 EFEDHM CCCCN([O-])C(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc21 ZINC000904211764 1107736733 /nfs/dbraw/zinc/73/67/33/1107736733.db2.gz DGPXWRCDSBOUPR-ZDUSSCGKSA-N -1 3 334.445 2.986 20 30 EFEDHM CCCCN([O-])C(=O)CCc1c(C)nc2c3cccnc3nn2c1C ZINC000904213730 1107737456 /nfs/dbraw/zinc/73/74/56/1107737456.db2.gz YSEZPVSFLCWMPT-UHFFFAOYSA-N -1 3 341.415 2.845 20 30 EFEDHM C[C@@H](CCNc1ncc(C#N)cc1Cl)NC(=O)c1ccccc1[O-] ZINC001106228549 1111181486 /nfs/dbraw/zinc/18/14/86/1111181486.db2.gz QSRCBVXNTPBVQL-NSHDSACASA-N -1 3 344.802 2.933 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)c4ccccc4[O-])C[C@H]23)cn1 ZINC001060500138 1111273828 /nfs/dbraw/zinc/27/38/28/1111273828.db2.gz QTZMLYMGIMTMQV-JEBQAFNWSA-N -1 3 348.406 2.622 20 30 EFEDHM N#Cc1cccnc1N[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC001060500886 1111287187 /nfs/dbraw/zinc/28/71/87/1111287187.db2.gz XDLZJQKYMMNXRM-BHYGNILZSA-N -1 3 348.406 2.622 20 30 EFEDHM CCCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n[nH]1 ZINC000916911650 1111999840 /nfs/dbraw/zinc/99/98/40/1111999840.db2.gz VSNSLYPJKJEOFP-NSHDSACASA-N -1 3 330.775 2.977 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCOC1CCCC1 ZINC000918515817 1112138770 /nfs/dbraw/zinc/13/87/70/1112138770.db2.gz IKHFOLOLXIONHE-UHFFFAOYSA-N -1 3 332.400 2.711 20 30 EFEDHM CCN(c1cc(C)ncc1C#N)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001089574412 1112325315 /nfs/dbraw/zinc/32/53/15/1112325315.db2.gz JPAVOZQTIUTXFZ-CQSZACIVSA-N -1 3 338.411 2.612 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1c(F)cccc1Cl ZINC000920386854 1112339628 /nfs/dbraw/zinc/33/96/28/1112339628.db2.gz HAGVZXYSFBWPQK-UHFFFAOYSA-N -1 3 326.780 2.933 20 30 EFEDHM C=C1CCC(C(=O)N2CCC[C@@H]2CNC(=O)c2ccccc2[O-])CC1 ZINC000944261735 1120041317 /nfs/dbraw/zinc/04/13/17/1120041317.db2.gz RBBYFJJIAISHNT-MRXNPFEDSA-N -1 3 342.439 2.859 20 30 EFEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000160872649 529587675 /nfs/dbraw/zinc/58/76/75/529587675.db2.gz DGPLTGITJGBSMK-MRVPVSSYSA-N -1 3 326.727 2.939 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2c1cccc2F ZINC000183737541 235212594 /nfs/dbraw/zinc/21/25/94/235212594.db2.gz SXIHSFZGRYNTGH-UHFFFAOYSA-N -1 3 339.370 2.524 20 30 EFEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCCC1 ZINC000025251024 202128922 /nfs/dbraw/zinc/12/89/22/202128922.db2.gz JZPQXDDZGGEPDP-UHFFFAOYSA-N -1 3 329.444 2.977 20 30 EFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000275134794 201277247 /nfs/dbraw/zinc/27/72/47/201277247.db2.gz CLMMUDZYCRAFBL-UHFFFAOYSA-N -1 3 333.837 2.610 20 30 EFEDHM C=CCOCCCC(=O)Nc1[n-]c(CCCC)nc1C(=O)OCC ZINC000276939560 201299344 /nfs/dbraw/zinc/29/93/44/201299344.db2.gz VOQUZCXCDIAHDF-UHFFFAOYSA-N -1 3 337.420 2.850 20 30 EFEDHM C=CCOCCCC(=O)Nc1nc(CCCC)[n-]c1C(=O)OCC ZINC000276939560 201299348 /nfs/dbraw/zinc/29/93/48/201299348.db2.gz VOQUZCXCDIAHDF-UHFFFAOYSA-N -1 3 337.420 2.850 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000278477541 201304760 /nfs/dbraw/zinc/30/47/60/201304760.db2.gz DZKICSJWFNFASP-NOZJJQNGSA-N -1 3 334.326 2.670 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000278477541 201304763 /nfs/dbraw/zinc/30/47/63/201304763.db2.gz DZKICSJWFNFASP-NOZJJQNGSA-N -1 3 334.326 2.670 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000278477541 201304766 /nfs/dbraw/zinc/30/47/66/201304766.db2.gz DZKICSJWFNFASP-NOZJJQNGSA-N -1 3 334.326 2.670 20 30 EFEDHM O=C([N-]OC[C@@H]1CCOC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000276374087 201293558 /nfs/dbraw/zinc/29/35/58/201293558.db2.gz KLKZKVOYJVLSQZ-MRXNPFEDSA-N -1 3 337.379 2.571 20 30 EFEDHM O=C([N-]OC[C@H]1CCOC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000276374084 201294803 /nfs/dbraw/zinc/29/48/03/201294803.db2.gz KLKZKVOYJVLSQZ-INIZCTEOSA-N -1 3 337.379 2.571 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000178506496 239418921 /nfs/dbraw/zinc/41/89/21/239418921.db2.gz CJWILZFIFKJEEE-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM C=CCN(CCOC)C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000191963436 240013895 /nfs/dbraw/zinc/01/38/95/240013895.db2.gz PVFOSKCRBLJDTI-UHFFFAOYSA-N -1 3 339.391 2.898 20 30 EFEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C#N)CCCCC2)cc1C ZINC000194129189 240141570 /nfs/dbraw/zinc/14/15/70/240141570.db2.gz OSZOQSFAMUVVCX-UHFFFAOYSA-N -1 3 337.401 2.716 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2ccc3c(c2)CCCC(=O)N3)c1[O-] ZINC000263977135 240395658 /nfs/dbraw/zinc/39/56/58/240395658.db2.gz ALYYZEKFMVYGLH-AWQFTUOYSA-N -1 3 325.368 2.613 20 30 EFEDHM C[C@@H]([N-]C(=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000288544684 241016925 /nfs/dbraw/zinc/01/69/25/241016925.db2.gz YKJKHTZDFGFFSE-RXMQYKEDSA-N -1 3 346.202 2.850 20 30 EFEDHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)c1 ZINC000290939315 241022700 /nfs/dbraw/zinc/02/27/00/241022700.db2.gz LFZGEHRYVQUFKR-HNNXBMFYSA-N -1 3 340.832 2.903 20 30 EFEDHM C=CCCc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000297396088 241121202 /nfs/dbraw/zinc/12/12/02/241121202.db2.gz SCMJJTWOCMEACZ-SNVBAGLBSA-N -1 3 341.820 2.881 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](C)COCc2ccccc2)c1[O-] ZINC000299175096 241169555 /nfs/dbraw/zinc/16/95/55/241169555.db2.gz WHVBUCPYOLBEBI-DGURAOSJSA-N -1 3 328.412 2.860 20 30 EFEDHM C[C@]1(c2ccc(CNC(=O)C3CCOCC3)cc2)NC(=O)[N-]C1=O ZINC000328707010 241225165 /nfs/dbraw/zinc/22/51/65/241225165.db2.gz ZHCLYLSCAMSNHM-QGZVFWFLSA-N -1 3 331.372 2.669 20 30 EFEDHM C[C@]1(c2ccc(CNC(=O)[C@H]3CCCOC3)cc2)NC(=O)[N-]C1=O ZINC000328849947 241253782 /nfs/dbraw/zinc/25/37/82/241253782.db2.gz ULACNYFASQOYOS-YVEFUNNKSA-N -1 3 331.372 2.669 20 30 EFEDHM C[C@H](NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)[C@@H]1CCCOC1 ZINC000329497384 241383902 /nfs/dbraw/zinc/38/39/02/241383902.db2.gz JHTQWSKOUYZUOB-SRBZOADZSA-N -1 3 345.399 2.906 20 30 EFEDHM C[C@H](Sc1ccccc1C([O-])=C(C#N)c1ccccn1)C(N)=O ZINC000338628548 241745044 /nfs/dbraw/zinc/74/50/44/241745044.db2.gz VFYJARZWCXQEMG-WCQYABFASA-N -1 3 325.393 2.538 20 30 EFEDHM N#C[C@@H](NC(=O)c1csc(=O)[n-]1)c1cccc(Br)c1 ZINC000348845837 241860929 /nfs/dbraw/zinc/86/09/29/241860929.db2.gz VAGVRMZLIDFCGR-SECBINFHSA-N -1 3 338.186 2.606 20 30 EFEDHM N#CC(=C([O-])c1cccc(NC(=O)c2ccco2)c1)c1ccncn1 ZINC000354470514 242001886 /nfs/dbraw/zinc/00/18/86/242001886.db2.gz SARNPDNBWKUAIS-AWEZNQCLSA-N -1 3 332.319 2.812 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1Br ZINC000354467150 242000388 /nfs/dbraw/zinc/00/03/88/242000388.db2.gz NVASHFFPNMKWHZ-SNVBAGLBSA-N -1 3 332.157 2.738 20 30 EFEDHM CCCNC(=O)c1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000356026049 242058618 /nfs/dbraw/zinc/05/86/18/242058618.db2.gz YASXZBSXSLQSOM-INIZCTEOSA-N -1 3 336.395 2.723 20 30 EFEDHM C=CCN(Cc1cc([O-])cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000356069399 242059901 /nfs/dbraw/zinc/05/99/01/242059901.db2.gz VMQPMHKEIBSAOM-CYBMUJFWSA-N -1 3 349.374 2.586 20 30 EFEDHM C=C(C)COCCNCc1ccc(OC)c([O-])c1Br ZINC000354676179 242008890 /nfs/dbraw/zinc/00/88/90/242008890.db2.gz NYSAZASYNXWPKN-UHFFFAOYSA-N -1 3 330.222 2.846 20 30 EFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000357555227 242100067 /nfs/dbraw/zinc/10/00/67/242100067.db2.gz DBGQXDMNDBFLFI-LBPRGKRZSA-N -1 3 347.209 2.559 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3c4ccccc4nn3C)nc1-2 ZINC000358445187 242119317 /nfs/dbraw/zinc/11/93/17/242119317.db2.gz NKGYJULFNXPGGT-GFCCVEGCSA-N -1 3 330.351 2.643 20 30 EFEDHM N#CC[C@H](CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1ccccc1 ZINC000359370200 242148499 /nfs/dbraw/zinc/14/84/99/242148499.db2.gz MKPJCJDAMRRYPT-OAHLLOKOSA-N -1 3 331.379 2.920 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000359096165 242142168 /nfs/dbraw/zinc/14/21/68/242142168.db2.gz UPDHMXAHJOWZET-UHFFFAOYSA-N -1 3 340.379 2.845 20 30 EFEDHM C=CCCC(=O)Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F ZINC000359709701 242164422 /nfs/dbraw/zinc/16/44/22/242164422.db2.gz LDHOIXWRKADUMQ-UHFFFAOYSA-N -1 3 346.811 2.825 20 30 EFEDHM C=CCOc1cccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c1 ZINC000360085673 242185848 /nfs/dbraw/zinc/18/58/48/242185848.db2.gz CXDHMNMXNGPVEV-UHFFFAOYSA-N -1 3 341.293 2.710 20 30 EFEDHM C=CCOc1cccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c1 ZINC000360085673 242185859 /nfs/dbraw/zinc/18/58/59/242185859.db2.gz CXDHMNMXNGPVEV-UHFFFAOYSA-N -1 3 341.293 2.710 20 30 EFEDHM C=CCOc1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000360085673 242185866 /nfs/dbraw/zinc/18/58/66/242185866.db2.gz CXDHMNMXNGPVEV-UHFFFAOYSA-N -1 3 341.293 2.710 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000365662325 242331126 /nfs/dbraw/zinc/33/11/26/242331126.db2.gz RVVOWMGPMYVMAQ-CRAIPNDOSA-N -1 3 331.379 2.870 20 30 EFEDHM CSCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000128674036 205158281 /nfs/dbraw/zinc/15/82/81/205158281.db2.gz DCUDSJXIFPATAI-UHFFFAOYSA-N -1 3 338.376 2.608 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)nc1 ZINC000264115255 246078561 /nfs/dbraw/zinc/07/85/61/246078561.db2.gz FMDULGCOVAOZRH-UHFFFAOYSA-N -1 3 330.775 2.895 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422052066 246241718 /nfs/dbraw/zinc/24/17/18/246241718.db2.gz ZLGUGTFEDYVGAK-SCLBCKFNSA-N -1 3 337.391 2.582 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422052067 246242165 /nfs/dbraw/zinc/24/21/65/246242165.db2.gz ZLGUGTFEDYVGAK-UGSOOPFHSA-N -1 3 337.391 2.582 20 30 EFEDHM Cc1nc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)s1 ZINC000159491173 206248566 /nfs/dbraw/zinc/24/85/66/206248566.db2.gz OYJJJUMLOQPHCN-UHFFFAOYSA-N -1 3 345.424 2.613 20 30 EFEDHM N#Cc1ccc(CNC(=O)CO[N-]C(=O)CCC2CCCCC2)cc1 ZINC000265279174 247365897 /nfs/dbraw/zinc/36/58/97/247365897.db2.gz ZAHYRPUYBLEIMR-UHFFFAOYSA-N -1 3 343.427 2.583 20 30 EFEDHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc2[nH]1 ZINC000427749668 247389036 /nfs/dbraw/zinc/38/90/36/247389036.db2.gz QQSAWCHVAMBBNT-UHFFFAOYSA-N -1 3 330.344 2.683 20 30 EFEDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2[nH]1 ZINC000427749668 247389039 /nfs/dbraw/zinc/38/90/39/247389039.db2.gz QQSAWCHVAMBBNT-UHFFFAOYSA-N -1 3 330.344 2.683 20 30 EFEDHM CN(Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)CC(C)(C)C#N ZINC000433312932 248044080 /nfs/dbraw/zinc/04/40/80/248044080.db2.gz NWKIJVSINLTUGR-UHFFFAOYSA-N -1 3 336.399 2.503 20 30 EFEDHM Cc1nc(C)c(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000266134140 248119487 /nfs/dbraw/zinc/11/94/87/248119487.db2.gz GVEUQUUPDSGGJY-UHFFFAOYSA-N -1 3 344.440 2.598 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2Cl)s1 ZINC000435425619 248238927 /nfs/dbraw/zinc/23/89/27/248238927.db2.gz ZKALFWXZEHXAHH-UHFFFAOYSA-N -1 3 326.830 2.794 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(O)cccc32)s1 ZINC000435428647 248238937 /nfs/dbraw/zinc/23/89/37/248238937.db2.gz SELAPCSOUUFDOC-CYBMUJFWSA-N -1 3 334.422 2.681 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)s1 ZINC000435423391 248239766 /nfs/dbraw/zinc/23/97/66/248239766.db2.gz QBVKSZJCPQMGLR-UHFFFAOYSA-N -1 3 349.412 2.761 20 30 EFEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1(CC)CC ZINC000435429242 248241034 /nfs/dbraw/zinc/24/10/34/248241034.db2.gz VAKZHTLNVPJFOL-CHWSQXEVSA-N -1 3 342.486 2.882 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)s1 ZINC000435441324 248241919 /nfs/dbraw/zinc/24/19/19/248241919.db2.gz BFMOBVNUYQFGMP-UHFFFAOYSA-N -1 3 326.830 2.794 20 30 EFEDHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435438583 248242037 /nfs/dbraw/zinc/24/20/37/248242037.db2.gz QJLUGOVPSBJLMV-LBPRGKRZSA-N -1 3 336.438 2.674 20 30 EFEDHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435437357 248242137 /nfs/dbraw/zinc/24/21/37/248242137.db2.gz JJXZQHVNVHEQPG-LBPRGKRZSA-N -1 3 336.438 2.674 20 30 EFEDHM CCCCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1(C)C ZINC000435444598 248242666 /nfs/dbraw/zinc/24/26/66/248242666.db2.gz AOGUBRSUBYXHKM-QWHCGFSZSA-N -1 3 342.486 2.882 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1ccccc1F ZINC000435444660 248242752 /nfs/dbraw/zinc/24/27/52/248242752.db2.gz YVFNHOGPBMVIIB-SNVBAGLBSA-N -1 3 340.401 2.505 20 30 EFEDHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435445945 248243135 /nfs/dbraw/zinc/24/31/35/248243135.db2.gz IBTLEADUPLVTHB-SECBINFHSA-N -1 3 340.451 2.621 20 30 EFEDHM C=CC[C@H](CO)CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436617493 249556221 /nfs/dbraw/zinc/55/62/21/249556221.db2.gz NMVNEBUXRFPSTR-KRWDZBQOSA-N -1 3 325.408 2.897 20 30 EFEDHM C=CCN(CC=C)[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C(C)C ZINC000436965420 249640911 /nfs/dbraw/zinc/64/09/11/249640911.db2.gz RVFIMENGWVVVGB-INIZCTEOSA-N -1 3 347.415 2.729 20 30 EFEDHM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000442755199 250111892 /nfs/dbraw/zinc/11/18/92/250111892.db2.gz YJBVVZKZJFZJAQ-NSHDSACASA-N -1 3 337.401 2.714 20 30 EFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(OC)c1 ZINC000442797815 250121123 /nfs/dbraw/zinc/12/11/23/250121123.db2.gz HRYNVJHFZHKDNO-UHFFFAOYSA-N -1 3 342.351 2.550 20 30 EFEDHM C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442651973 250095602 /nfs/dbraw/zinc/09/56/02/250095602.db2.gz QBPQNFGHUANQLV-DNVCBOLYSA-N -1 3 349.434 2.904 20 30 EFEDHM COc1cc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)ccc1[O-] ZINC000442666097 250097903 /nfs/dbraw/zinc/09/79/03/250097903.db2.gz PNMCEOLXKMPKBH-UHFFFAOYSA-N -1 3 348.362 2.593 20 30 EFEDHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443077229 250159344 /nfs/dbraw/zinc/15/93/44/250159344.db2.gz ZXOQTMIISCNTSU-INIZCTEOSA-N -1 3 332.400 2.997 20 30 EFEDHM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443102650 250160412 /nfs/dbraw/zinc/16/04/12/250160412.db2.gz PLEVGAZIALMJPK-CYBMUJFWSA-N -1 3 332.400 2.997 20 30 EFEDHM Cc1sc([N-]C(=O)c2cn(Cc3ccccn3)nn2)c(C#N)c1C ZINC000443817848 250226900 /nfs/dbraw/zinc/22/69/00/250226900.db2.gz QQDROWLLWIRKNE-UHFFFAOYSA-N -1 3 338.396 2.524 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C(C)C)CC1 ZINC000174488658 207023459 /nfs/dbraw/zinc/02/34/59/207023459.db2.gz ODQLVGPNIZREJR-UHFFFAOYSA-N -1 3 329.444 2.691 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000329386218 296321346 /nfs/dbraw/zinc/32/13/46/296321346.db2.gz SHSMJMJRFAMDLJ-KOFHJDLBSA-N -1 3 336.436 2.976 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000329386217 296321485 /nfs/dbraw/zinc/32/14/85/296321485.db2.gz SHSMJMJRFAMDLJ-FJZAXULXSA-N -1 3 336.436 2.976 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000175806594 207161076 /nfs/dbraw/zinc/16/10/76/207161076.db2.gz MXYMLXIYTGLTEQ-AWEZNQCLSA-N -1 3 349.390 2.972 20 30 EFEDHM C=C(CC)CNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000454343048 252224688 /nfs/dbraw/zinc/22/46/88/252224688.db2.gz GGXSTZAKYLVNNB-UHFFFAOYSA-N -1 3 341.433 2.545 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1cc2ccccc2o1 ZINC000170656749 533482999 /nfs/dbraw/zinc/48/29/99/533482999.db2.gz SNIYLRNFNJOEFX-LLVKDONJSA-N -1 3 327.365 2.739 20 30 EFEDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183748574 292076140 /nfs/dbraw/zinc/07/61/40/292076140.db2.gz BMFLTFNCLZKWKY-JTQLQIEISA-N -1 3 330.837 2.694 20 30 EFEDHM COc1cccc(C2(C[N-]S(=O)(=O)c3ccc(C#N)s3)CC2)c1 ZINC000349925396 142379345 /nfs/dbraw/zinc/37/93/45/142379345.db2.gz DRSSIIQQCLKHTP-UHFFFAOYSA-N -1 3 348.449 2.638 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1cc2cccc(F)c2o1 ZINC000352187606 142443424 /nfs/dbraw/zinc/44/34/24/142443424.db2.gz DKXSRPKZDZEWGC-SNVBAGLBSA-N -1 3 345.355 2.878 20 30 EFEDHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1C ZINC000341174660 145006471 /nfs/dbraw/zinc/00/64/71/145006471.db2.gz IVXFATUPMYNXLE-UHFFFAOYSA-N -1 3 337.788 2.725 20 30 EFEDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c(OCC2CC2)c1 ZINC000344190841 145388283 /nfs/dbraw/zinc/38/82/83/145388283.db2.gz SZXHPELSWFLZKZ-UHFFFAOYSA-N -1 3 346.408 2.727 20 30 EFEDHM COc1ccc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c([O-])c1 ZINC000349206479 146066352 /nfs/dbraw/zinc/06/63/52/146066352.db2.gz CBHXAYQROXGNCW-UHFFFAOYSA-N -1 3 337.257 2.939 20 30 EFEDHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(F)c1 ZINC000351109975 146111401 /nfs/dbraw/zinc/11/14/01/146111401.db2.gz PKEYFDFMBHDIGG-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000351979317 146254745 /nfs/dbraw/zinc/25/47/45/146254745.db2.gz MKKTZGVMZWFZSB-UHFFFAOYSA-N -1 3 342.442 2.959 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000352068365 146281570 /nfs/dbraw/zinc/28/15/70/146281570.db2.gz PSWWARRSHNWPAV-GFCCVEGCSA-N -1 3 345.380 2.548 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)c1 ZINC000355822502 147075102 /nfs/dbraw/zinc/07/51/02/147075102.db2.gz BLVFJFIDGDPPAF-CQSZACIVSA-N -1 3 348.811 2.883 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)C(F)(F)F ZINC000356430690 147242857 /nfs/dbraw/zinc/24/28/57/147242857.db2.gz SCTJSPBEIWVJCR-QMMMGPOBSA-N -1 3 329.322 2.523 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000356660976 147302917 /nfs/dbraw/zinc/30/29/17/147302917.db2.gz DMKYBWHSYMSTFC-ZETCQYMHSA-N -1 3 326.727 2.688 20 30 EFEDHM COC1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCC(C)CC1 ZINC000360204740 148298788 /nfs/dbraw/zinc/29/87/88/148298788.db2.gz YBCMOEGRSMRNDV-UHFFFAOYSA-N -1 3 340.420 2.571 20 30 EFEDHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000122646217 292966962 /nfs/dbraw/zinc/96/69/62/292966962.db2.gz CEMFPFHQOTZFBD-MNOVXSKESA-N -1 3 325.390 2.569 20 30 EFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)c(C)c2)o1 ZINC000292114337 270024591 /nfs/dbraw/zinc/02/45/91/270024591.db2.gz VYDMBSIVPNVQGT-UHFFFAOYSA-N -1 3 333.413 2.594 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1F ZINC000491495291 270031868 /nfs/dbraw/zinc/03/18/68/270031868.db2.gz IERXAPQDEOWHGU-CYBMUJFWSA-N -1 3 338.747 2.597 20 30 EFEDHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000524149533 270034355 /nfs/dbraw/zinc/03/43/55/270034355.db2.gz VRCVGQSCMZJJLY-ZDUSSCGKSA-N -1 3 348.399 2.752 20 30 EFEDHM Cc1[n-][nH]c(=O)c1CCNc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000523676335 270034394 /nfs/dbraw/zinc/03/43/94/270034394.db2.gz BRYDUVHANRAWHT-CYBMUJFWSA-N -1 3 346.394 2.592 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2c1OCC2 ZINC000529800988 270035022 /nfs/dbraw/zinc/03/50/22/270035022.db2.gz DAMJZQCWUVIUOA-UHFFFAOYSA-N -1 3 337.379 2.782 20 30 EFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000528472680 270035186 /nfs/dbraw/zinc/03/51/86/270035186.db2.gz ZFCDAYCULOFRQD-UHFFFAOYSA-N -1 3 341.230 2.565 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(F)(F)C[C@@H]1C ZINC000530019435 270035502 /nfs/dbraw/zinc/03/55/02/270035502.db2.gz XIXGACBKDCNHNA-JTQLQIEISA-N -1 3 337.370 2.855 20 30 EFEDHM N#Cc1c(F)cccc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000186896082 265080093 /nfs/dbraw/zinc/08/00/93/265080093.db2.gz KCPSHWOFQFWVLP-UHFFFAOYSA-N -1 3 325.328 2.863 20 30 EFEDHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000271528541 265912198 /nfs/dbraw/zinc/91/21/98/265912198.db2.gz BRIYGXDVLYJNDF-ZIAGYGMSSA-N -1 3 342.848 2.694 20 30 EFEDHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000272068822 266143309 /nfs/dbraw/zinc/14/33/09/266143309.db2.gz QNKWWMMQWPWHQE-GJZGRUSLSA-N -1 3 340.420 2.569 20 30 EFEDHM CCOC(=O)Nc1ccc([N-]C(=O)c2cc(OCC)no2)cc1C#N ZINC000295159697 266267637 /nfs/dbraw/zinc/26/76/37/266267637.db2.gz CZBSZVRDXTVONB-UHFFFAOYSA-N -1 3 344.327 2.766 20 30 EFEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424062001 267025813 /nfs/dbraw/zinc/02/58/13/267025813.db2.gz KCCLSRUPVYOVEP-UHFFFAOYSA-N -1 3 337.445 2.548 20 30 EFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C)C1 ZINC000331281411 267027563 /nfs/dbraw/zinc/02/75/63/267027563.db2.gz QVFYTJZHCLIIDT-NTZNESFSSA-N -1 3 337.401 2.569 20 30 EFEDHM CC[C@H](C)c1nc([C@H](C)[N-]S(=O)(=O)c2cccc(C)c2C#N)n[nH]1 ZINC000276822738 267056893 /nfs/dbraw/zinc/05/68/93/267056893.db2.gz IJDZLLOTQPNYOX-JQWIXIFHSA-N -1 3 347.444 2.538 20 30 EFEDHM CCOC(=O)Nc1ccc(NC(=O)[N-]c2cnns2)cc1C#N ZINC000496370137 267127907 /nfs/dbraw/zinc/12/79/07/267127907.db2.gz YOPPUOUPUJZMDW-UHFFFAOYSA-N -1 3 332.345 2.622 20 30 EFEDHM CCSc1cccc(C[N-]S(=O)(=O)c2cccnc2C#N)c1 ZINC000490437068 267181411 /nfs/dbraw/zinc/18/14/11/267181411.db2.gz NWRRHBWZVJQLPS-UHFFFAOYSA-N -1 3 333.438 2.544 20 30 EFEDHM N#Cc1ccc(N2CCC[C@H](NCc3cc([O-])cc(F)c3)C2=O)cc1 ZINC000274456683 268115755 /nfs/dbraw/zinc/11/57/55/268115755.db2.gz RYZLXOKXMFVUPL-SFHVURJKSA-N -1 3 339.370 2.688 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCCC1(F)F ZINC000451824900 268160165 /nfs/dbraw/zinc/16/01/65/268160165.db2.gz PZADBDQEYPKGCS-SECBINFHSA-N -1 3 334.775 2.925 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000443208389 268160335 /nfs/dbraw/zinc/16/03/35/268160335.db2.gz BCVVSYWFUITRCK-CQSZACIVSA-N -1 3 348.811 2.883 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000443034977 268182740 /nfs/dbraw/zinc/18/27/40/268182740.db2.gz AZVMVODNVVUYDT-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM N#Cc1ccc(O[C@H]2CCN(Cc3cccc(Cl)c3[O-])C2)nc1 ZINC000292707576 268185540 /nfs/dbraw/zinc/18/55/40/268185540.db2.gz CZXQFFITIIQKOT-AWEZNQCLSA-N -1 3 329.787 2.966 20 30 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N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000553836601 318294593 /nfs/dbraw/zinc/29/45/93/318294593.db2.gz RTDGLWMQEQNMOQ-UHFFFAOYSA-N -1 3 341.230 2.542 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000556674218 318397767 /nfs/dbraw/zinc/39/77/67/318397767.db2.gz CBAIIPIKFADMJO-JKSUJKDBSA-N -1 3 341.436 2.958 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000556674215 318397782 /nfs/dbraw/zinc/39/77/82/318397782.db2.gz CBAIIPIKFADMJO-CVEARBPZSA-N -1 3 341.436 2.958 20 30 EFEDHM CC(C)(C)c1csc([N-]C(=O)c2cn([C@H]3CCOC3)nn2)c1C#N ZINC000556802659 318410313 /nfs/dbraw/zinc/41/03/13/318410313.db2.gz PZGKOMQLAYCJQR-JTQLQIEISA-N -1 3 345.428 2.722 20 30 EFEDHM N#Cc1ccc(CN(C(=O)N=c2cc3ccccn3[n-]2)C2CC2)cc1 ZINC000558464340 318470157 /nfs/dbraw/zinc/47/01/57/318470157.db2.gz TYMZBOBTQMPCCM-UHFFFAOYSA-N -1 3 331.379 2.824 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000564050121 318838230 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N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)c(Cl)c1 ZINC000095940463 473225967 /nfs/dbraw/zinc/22/59/67/473225967.db2.gz KVNOGWSARGYYPT-AWEZNQCLSA-N -1 3 346.795 2.818 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)CC(C)C ZINC000081618161 473233341 /nfs/dbraw/zinc/23/33/41/473233341.db2.gz YSMATWWNCGHKCN-UHFFFAOYSA-N -1 3 331.460 2.985 20 30 EFEDHM CCc1cccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1[O-] ZINC000081781455 473252134 /nfs/dbraw/zinc/25/21/34/473252134.db2.gz QTPIACQYLPYYJB-GOSISDBHSA-N -1 3 349.434 2.805 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000190411275 473264904 /nfs/dbraw/zinc/26/49/04/473264904.db2.gz GOHYGSLXLJGMQM-LLVKDONJSA-N -1 3 331.459 2.866 20 30 EFEDHM N#Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1[O-] ZINC000190456193 473281155 /nfs/dbraw/zinc/28/11/55/473281155.db2.gz XNTLAKYWKPUMSA-GOSISDBHSA-N -1 3 335.407 2.658 20 30 EFEDHM CCc1ccc(C([O-])=C(C#N)c2ccccn2)cc1S(C)(=O)=O ZINC000161935420 473283395 /nfs/dbraw/zinc/28/33/95/473283395.db2.gz ZZDTZOAREWAHBR-AWEZNQCLSA-N -1 3 328.393 2.538 20 30 EFEDHM COCCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000185040020 473308821 /nfs/dbraw/zinc/30/88/21/473308821.db2.gz NAROJYLJHIWCQC-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000162448972 473341434 /nfs/dbraw/zinc/34/14/34/473341434.db2.gz MWTDEZBJNDJEEL-UHFFFAOYSA-N -1 3 343.354 2.824 20 30 EFEDHM N#C[C@@]1([N-]S(=O)(=O)c2ccccc2F)CCc2ccccc2C1 ZINC000185144040 473341631 /nfs/dbraw/zinc/34/16/31/473341631.db2.gz PIMZAWHTOLHRCM-QGZVFWFLSA-N -1 3 330.384 2.555 20 30 EFEDHM Cc1cccc(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)c1F ZINC000185142558 473341832 /nfs/dbraw/zinc/34/18/32/473341832.db2.gz DGUCIIKMVHIOGL-GOSISDBHSA-N -1 3 344.411 2.864 20 30 EFEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2csc(-c3cnccn3)n2)n1 ZINC000177400196 473371785 /nfs/dbraw/zinc/37/17/85/473371785.db2.gz UOIPDPZTBOWGGV-UHFFFAOYSA-N -1 3 339.384 2.501 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CCCC2)CC1 ZINC000150912319 473377821 /nfs/dbraw/zinc/37/78/21/473377821.db2.gz GNOGXRAIKDTWKP-UHFFFAOYSA-N -1 3 341.455 2.979 20 30 EFEDHM N#CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000282481851 474081686 /nfs/dbraw/zinc/08/16/86/474081686.db2.gz FEMQUGRKZSLIQM-UHFFFAOYSA-N -1 3 337.626 2.685 20 30 EFEDHM CO[C@H](C)CS(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000619744190 479871939 /nfs/dbraw/zinc/87/19/39/479871939.db2.gz YYFQIIHYFSGCAE-GFCCVEGCSA-N -1 3 347.396 2.522 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)c2c[n-]c3cc(OC)ccc3c2=O)C1 ZINC000622144454 479925068 /nfs/dbraw/zinc/92/50/68/479925068.db2.gz HMQOLADVDLETKS-CYBMUJFWSA-N -1 3 326.396 2.965 20 30 EFEDHM Cc1noc(C)c1CSCC(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053524105 472015939 /nfs/dbraw/zinc/01/59/39/472015939.db2.gz IEXUMHODBDHXIU-UHFFFAOYSA-N -1 3 344.400 2.993 20 30 EFEDHM Cc1noc(C)c1CSCC(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053524105 472015944 /nfs/dbraw/zinc/01/59/44/472015944.db2.gz IEXUMHODBDHXIU-UHFFFAOYSA-N -1 3 344.400 2.993 20 30 EFEDHM Cc1noc(C)c1CSCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053524105 472015949 /nfs/dbraw/zinc/01/59/49/472015949.db2.gz IEXUMHODBDHXIU-UHFFFAOYSA-N -1 3 344.400 2.993 20 30 EFEDHM Cc1ccc([O-])c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000023450846 472033331 /nfs/dbraw/zinc/03/33/31/472033331.db2.gz URPZPARFTUAFCA-UHFFFAOYSA-N -1 3 349.434 2.920 20 30 EFEDHM C[S@@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041495206 472066963 /nfs/dbraw/zinc/06/69/63/472066963.db2.gz MHLKUAGZZABBEX-BSEYFRJRSA-N -1 3 337.404 2.931 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(N3CCCC3=O)c2)nc(C)n1 ZINC000041562445 472069501 /nfs/dbraw/zinc/06/95/01/472069501.db2.gz PHHXXEZNJLMUOT-INIZCTEOSA-N -1 3 334.379 2.710 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024896947 472071518 /nfs/dbraw/zinc/07/15/18/472071518.db2.gz AWTHPAVCEQFIIO-UHFFFAOYSA-N -1 3 346.408 2.875 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CCC(C)CC1 ZINC000055489672 472192938 /nfs/dbraw/zinc/19/29/38/472192938.db2.gz CBIDQNQNZHAPBP-UHFFFAOYSA-N -1 3 329.444 2.739 20 30 EFEDHM C[C@@H](c1ccc(C#N)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000085785377 472267080 /nfs/dbraw/zinc/26/70/80/472267080.db2.gz DSXCRVDNHXDZFV-HNNXBMFYSA-N -1 3 335.407 2.783 20 30 EFEDHM COc1ccccc1-c1nc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)n[n-]1 ZINC000069128780 472297183 /nfs/dbraw/zinc/29/71/83/472297183.db2.gz JTQLAQBIOSLOBL-VXGBXAGGSA-N -1 3 346.387 2.652 20 30 EFEDHM C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)cc1 ZINC000029811759 472297631 /nfs/dbraw/zinc/29/76/31/472297631.db2.gz VSEJBBKREJDWJO-GFCCVEGCSA-N -1 3 343.387 2.730 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(N3CCOC3=O)c2)nc(C)n1 ZINC000076320773 472320474 /nfs/dbraw/zinc/32/04/74/472320474.db2.gz FMINIOBVEVNJLS-OAHLLOKOSA-N -1 3 336.351 2.540 20 30 EFEDHM CCN(CC)C(=O)CCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000088359281 472358517 /nfs/dbraw/zinc/35/85/17/472358517.db2.gz GFUDIQDPBXWHHA-UHFFFAOYSA-N -1 3 333.367 2.847 20 30 EFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC)c(Br)c1 ZINC000088486545 472367375 /nfs/dbraw/zinc/36/73/75/472367375.db2.gz FIWSHYGVVTYHGC-VIFPVBQESA-N -1 3 333.207 2.502 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000045082269 472371374 /nfs/dbraw/zinc/37/13/74/472371374.db2.gz PZMQGQBNLIUBTD-SJCJKPOMSA-N -1 3 329.444 2.833 20 30 EFEDHM C=C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000154145580 472394694 /nfs/dbraw/zinc/39/46/94/472394694.db2.gz QPXGXDIZXRFSOC-GFCCVEGCSA-N -1 3 348.399 2.931 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccncc1 ZINC000097054302 472428139 /nfs/dbraw/zinc/42/81/39/472428139.db2.gz CSDMZNUUZFLFFM-UHFFFAOYSA-N -1 3 349.843 2.863 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000154465604 472436581 /nfs/dbraw/zinc/43/65/81/472436581.db2.gz GKXBVCLWVRKVOZ-SECBINFHSA-N -1 3 335.198 2.559 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000116905619 472447262 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C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000060357690 472646770 /nfs/dbraw/zinc/64/67/70/472646770.db2.gz HQGGECQQYAAYCQ-ZETCQYMHSA-N -1 3 326.727 2.939 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000155963524 472646888 /nfs/dbraw/zinc/64/68/88/472646888.db2.gz ABKXPTZRBJOOFQ-LLVKDONJSA-N -1 3 331.353 2.506 20 30 EFEDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000120235020 472653731 /nfs/dbraw/zinc/65/37/31/472653731.db2.gz TURCRNVCJMWBLX-UHFFFAOYSA-N -1 3 344.864 2.821 20 30 EFEDHM COc1cccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000156099189 472665068 /nfs/dbraw/zinc/66/50/68/472665068.db2.gz XSFULPSWPCGXBE-UHFFFAOYSA-N -1 3 336.800 2.699 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1nc2ccccc2s1 ZINC000156163539 472672428 /nfs/dbraw/zinc/67/24/28/472672428.db2.gz WQOACZZHBWEFKT-UHFFFAOYSA-N -1 3 347.396 2.786 20 30 EFEDHM Cc1ccc2c(c1)CCN2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000091054053 472688848 /nfs/dbraw/zinc/68/88/48/472688848.db2.gz 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472757244 /nfs/dbraw/zinc/75/72/44/472757244.db2.gz FZQUKMUPFYNJHL-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM C=CCc1ccc(OCC(=O)NCc2ccc([O-])c(F)c2)c(OC)c1 ZINC000132946930 472765468 /nfs/dbraw/zinc/76/54/68/472765468.db2.gz YLIYFOIATMAKBB-UHFFFAOYSA-N -1 3 345.370 2.964 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCOC1CCCC1 ZINC000156918871 472766659 /nfs/dbraw/zinc/76/66/59/472766659.db2.gz JRTQDSHGCVPREI-UHFFFAOYSA-N -1 3 342.848 2.839 20 30 EFEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000133064448 472772761 /nfs/dbraw/zinc/77/27/61/472772761.db2.gz LSWFMEWENVIMMV-UHFFFAOYSA-N -1 3 341.326 2.716 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCC[N-]C(=O)C(F)(F)F ZINC000091588170 472780023 /nfs/dbraw/zinc/78/00/23/472780023.db2.gz ZPKJSGQUKCHSRT-GJZGRUSLSA-N -1 3 339.361 2.827 20 30 EFEDHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000121017819 472783094 /nfs/dbraw/zinc/78/30/94/472783094.db2.gz GMYFHEGVEKHACJ-VXGBXAGGSA-N -1 3 337.401 2.714 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000157202323 472795912 /nfs/dbraw/zinc/79/59/12/472795912.db2.gz LLNASYPYSNURGT-JKSUJKDBSA-N -1 3 341.455 2.881 20 30 EFEDHM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)ccc2O1 ZINC000106006894 472815610 /nfs/dbraw/zinc/81/56/10/472815610.db2.gz ONVMITNWGKZNEE-GFCCVEGCSA-N -1 3 328.393 2.877 20 30 EFEDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157566375 472835255 /nfs/dbraw/zinc/83/52/55/472835255.db2.gz DEAHZWUIMQBUMG-VIFPVBQESA-N -1 3 339.804 2.856 20 30 EFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000121746919 472904659 /nfs/dbraw/zinc/90/46/59/472904659.db2.gz APWNLCMOUXDPOF-NSHDSACASA-N -1 3 349.225 2.805 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000121658536 472886707 /nfs/dbraw/zinc/88/67/07/472886707.db2.gz NDCLGMAIGUGLSC-CQSZACIVSA-N -1 3 325.430 2.565 20 30 EFEDHM O=C(CSCc1ccncc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000065060886 472896178 /nfs/dbraw/zinc/89/61/78/472896178.db2.gz 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/nfs/dbraw/zinc/00/01/30/473000130.db2.gz HZUNNRQBOZICML-UHFFFAOYSA-N -1 3 341.115 2.585 20 30 EFEDHM C=CCOc1cccc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000065749596 473006245 /nfs/dbraw/zinc/00/62/45/473006245.db2.gz ZNQWRVGXAHXDSS-UHFFFAOYSA-N -1 3 327.384 2.523 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000065774613 473008520 /nfs/dbraw/zinc/00/85/20/473008520.db2.gz SFJDDCRUKGCMLI-UHFFFAOYSA-N -1 3 339.439 2.577 20 30 EFEDHM CCCc1noc(CCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)n1 ZINC000051266573 473036393 /nfs/dbraw/zinc/03/63/93/473036393.db2.gz RCMUKUFHDOHOBC-UHFFFAOYSA-N -1 3 332.286 2.770 20 30 EFEDHM CCCc1noc(CCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)n1 ZINC000051266573 473036398 /nfs/dbraw/zinc/03/63/98/473036398.db2.gz RCMUKUFHDOHOBC-UHFFFAOYSA-N -1 3 332.286 2.770 20 30 EFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000080629294 473060981 /nfs/dbraw/zinc/06/09/81/473060981.db2.gz XAHDOMOOWCONNX-ZETCQYMHSA-N -1 3 326.727 2.797 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1OC ZINC000135367468 473063698 /nfs/dbraw/zinc/06/36/98/473063698.db2.gz UZHIDVJTCWDWFR-UHFFFAOYSA-N -1 3 336.344 2.515 20 30 EFEDHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000135377704 473065074 /nfs/dbraw/zinc/06/50/74/473065074.db2.gz ANLRFVUJNJJUHL-UHFFFAOYSA-N -1 3 347.371 2.847 20 30 EFEDHM COC(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000122986543 473082140 /nfs/dbraw/zinc/08/21/40/473082140.db2.gz SCLREXGHVMYZJN-AWEZNQCLSA-N -1 3 333.347 2.850 20 30 EFEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000066507115 473106527 /nfs/dbraw/zinc/10/65/27/473106527.db2.gz YOFMIZZJJDDEMR-CQSZACIVSA-N -1 3 347.334 2.880 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-][C@H](C#N)C(C)C)sc1Br ZINC000094541227 473186393 /nfs/dbraw/zinc/18/63/93/473186393.db2.gz SITOFFWEOMROCP-MRVPVSSYSA-N -1 3 337.264 2.646 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c(F)c1 ZINC000151178480 473421628 /nfs/dbraw/zinc/42/16/28/473421628.db2.gz 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ZINC000114558207 473482465 /nfs/dbraw/zinc/48/24/65/473482465.db2.gz ZSHTVKCMJNYYFC-SFHVURJKSA-N -1 3 349.434 2.805 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C#N)c1C ZINC000178394444 473504169 /nfs/dbraw/zinc/50/41/69/473504169.db2.gz CNTBLFIPYDRDKG-UHFFFAOYSA-N -1 3 334.379 2.615 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nccs1 ZINC000185820168 473522985 /nfs/dbraw/zinc/52/29/85/473522985.db2.gz RKTNXMPQHZRHFM-VIFPVBQESA-N -1 3 341.845 2.750 20 30 EFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000178670198 473543763 /nfs/dbraw/zinc/54/37/63/473543763.db2.gz BIXDLRQSSAMKJB-SSDOTTSWSA-N -1 3 337.626 2.683 20 30 EFEDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1[N+](=O)[O-] ZINC000191786428 473578115 /nfs/dbraw/zinc/57/81/15/473578115.db2.gz QCIRSKGMGOQBLZ-UHFFFAOYSA-N -1 3 337.401 2.716 20 30 EFEDHM COC(=O)c1cccc2nc(NC(=O)c3cccc(CC#N)c3)[n-]c21 ZINC000178934769 473593890 /nfs/dbraw/zinc/59/38/90/473593890.db2.gz AALRETSMWKZZGT-UHFFFAOYSA-N -1 3 334.335 2.668 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(CC#N)c3)nc21 ZINC000178934769 473593895 /nfs/dbraw/zinc/59/38/95/473593895.db2.gz AALRETSMWKZZGT-UHFFFAOYSA-N -1 3 334.335 2.668 20 30 EFEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1nc(C)cs1 ZINC000152989581 473604137 /nfs/dbraw/zinc/60/41/37/473604137.db2.gz BJHNMOPZNJEGOS-UHFFFAOYSA-N -1 3 344.440 2.614 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000186164279 473605806 /nfs/dbraw/zinc/60/58/06/473605806.db2.gz OURUGDZKJCQQPM-CQSZACIVSA-N -1 3 342.848 2.839 20 30 EFEDHM N#Cc1ccc(N2CCN(Cc3cc([O-])cc(F)c3)CC2)c(F)c1 ZINC000186199397 473614353 /nfs/dbraw/zinc/61/43/53/473614353.db2.gz REWBLBPWAYBSQO-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000179026651 473614547 /nfs/dbraw/zinc/61/45/47/473614547.db2.gz YKQCOCVCYALDBG-UHFFFAOYSA-N -1 3 346.408 2.693 20 30 EFEDHM CC(=O)c1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1[O-] ZINC000613601064 480053221 /nfs/dbraw/zinc/05/32/21/480053221.db2.gz MHTVRFCEFZMDKV-HXUWFJFHSA-N -1 3 334.375 2.776 20 30 EFEDHM C=CCN(CC=C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000179383168 473682817 /nfs/dbraw/zinc/68/28/17/473682817.db2.gz NLOYYCKZLJZAPO-UHFFFAOYSA-N -1 3 341.367 2.755 20 30 EFEDHM O=C(/C=C/c1cncc([O-])c1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000179407203 473685023 /nfs/dbraw/zinc/68/50/23/473685023.db2.gz YPVKQYIRTUQZQE-VOTSOKGWSA-N -1 3 346.308 2.987 20 30 EFEDHM C#CCCCCC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000179795675 473728858 /nfs/dbraw/zinc/72/88/58/473728858.db2.gz DRALRLPVRAGXLB-UHFFFAOYSA-N -1 3 338.429 2.589 20 30 EFEDHM CCn1c(C)cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1C ZINC000193525778 473792341 /nfs/dbraw/zinc/79/23/41/473792341.db2.gz STFIXPZAJLQGJD-OAHLLOKOSA-N -1 3 325.416 2.933 20 30 EFEDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C#N)cc2C)o1 ZINC000173352280 473814349 /nfs/dbraw/zinc/81/43/49/473814349.db2.gz VCSPQUPYRQVZDX-OAHLLOKOSA-N -1 3 348.424 2.688 20 30 EFEDHM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000269869296 473902142 /nfs/dbraw/zinc/90/21/42/473902142.db2.gz UBJSZOBZTCBNDL-LBPRGKRZSA-N -1 3 344.864 2.535 20 30 EFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000173742608 473924401 /nfs/dbraw/zinc/92/44/01/473924401.db2.gz KIWKUVZKHLDDKO-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM C#CCOc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000264439951 473992805 /nfs/dbraw/zinc/99/28/05/473992805.db2.gz ABOVVVISAVBPCB-UHFFFAOYSA-N -1 3 349.390 2.859 20 30 EFEDHM C[C@H](CCC#N)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000188192276 474014175 /nfs/dbraw/zinc/01/41/75/474014175.db2.gz CPCACLNTMHNJSY-LLVKDONJSA-N -1 3 325.397 2.893 20 30 EFEDHM CC(C)(C)OC(=O)N1CCC[C@H]1C/N=C/c1ccc(O)c([O-])c1O ZINC000264504169 474016371 /nfs/dbraw/zinc/01/63/71/474016371.db2.gz HEBVIQJVUGMJOG-BEAUZRKQSA-N -1 3 336.388 2.622 20 30 EFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1cccc(F)c1 ZINC000181291042 474021358 /nfs/dbraw/zinc/02/13/58/474021358.db2.gz NGRSTKDBDTZVJU-MRVPVSSYSA-N -1 3 342.252 2.525 20 30 EFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccccc1F ZINC000181292100 474023697 /nfs/dbraw/zinc/02/36/97/474023697.db2.gz QZMWTWZKNMHEPC-QMMMGPOBSA-N -1 3 342.252 2.525 20 30 EFEDHM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)N1CCc2sccc2C1 ZINC000188284587 474045700 /nfs/dbraw/zinc/04/57/00/474045700.db2.gz SXQASYLWFRIORY-GFCCVEGCSA-N -1 3 341.436 2.502 20 30 EFEDHM Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)N2CCCC2)o1 ZINC000188413440 474085848 /nfs/dbraw/zinc/08/58/48/474085848.db2.gz AHFCRIPNIZUMRI-MRXNPFEDSA-N -1 3 339.395 2.732 20 30 EFEDHM Cc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1C(=O)NC(C)C ZINC000264704147 474096785 /nfs/dbraw/zinc/09/67/85/474096785.db2.gz GRHWDALUDCOQLF-ZVBGSRNCSA-N -1 3 341.411 2.785 20 30 EFEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000188505659 474114017 /nfs/dbraw/zinc/11/40/17/474114017.db2.gz URSLXBOCWBHWCG-MRXNPFEDSA-N -1 3 340.420 2.807 20 30 EFEDHM CC(C)(C)OC(=O)N1CC=C(C/N=C/c2ccc(O)c([O-])c2O)CC1 ZINC000275329900 474146422 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N#Cc1ccc(F)c(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000289487586 474291582 /nfs/dbraw/zinc/29/15/82/474291582.db2.gz ORNQVQVCMORJDV-LBPRGKRZSA-N -1 3 343.324 2.588 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCCCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000265722444 474309508 /nfs/dbraw/zinc/30/95/08/474309508.db2.gz SNOVRMXHNYQDAZ-YBFXNURJSA-N -1 3 343.383 2.938 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000183247092 474358620 /nfs/dbraw/zinc/35/86/20/474358620.db2.gz AMWQMZAFJZPYDX-SFHVURJKSA-N -1 3 325.387 2.914 20 30 EFEDHM C=C1CC(C)(C(=O)Nc2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000631453714 480099105 /nfs/dbraw/zinc/09/91/05/480099105.db2.gz ZEQPHXBBIXRTQN-UHFFFAOYSA-N -1 3 338.404 2.561 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c(Cl)c1 ZINC000183524233 474389203 /nfs/dbraw/zinc/38/92/03/474389203.db2.gz YQMWWNBUCUOONP-ZDUSSCGKSA-N -1 3 332.812 2.830 20 30 EFEDHM CCOc1ccc(N(CCC#N)C(=O)c2cccc3nn[n-]c32)cc1 ZINC000183562979 474394147 /nfs/dbraw/zinc/39/41/47/474394147.db2.gz WPQHNVQJKDXOMR-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM CCOc1ccc(N(CCC#N)C(=O)c2cccc3[n-]nnc32)cc1 ZINC000183562979 474394154 /nfs/dbraw/zinc/39/41/54/474394154.db2.gz WPQHNVQJKDXOMR-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM CCOc1ccc(N(CCC#N)C(=O)c2cccc3n[n-]nc32)cc1 ZINC000183562979 474394161 /nfs/dbraw/zinc/39/41/61/474394161.db2.gz WPQHNVQJKDXOMR-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM C=CCOC(=O)c1sc2[n-]c(CC3(COC)CC3)nc(=O)c2c1C ZINC000183641760 474405374 /nfs/dbraw/zinc/40/53/74/474405374.db2.gz JFIJCUUHKSCKPI-UHFFFAOYSA-N -1 3 348.424 2.605 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2cccc(N3CCOC3=O)c2C)c1[O-] ZINC000266541007 474435970 /nfs/dbraw/zinc/43/59/70/474435970.db2.gz GZCZFTXTLQTSAU-AWQFTUOYSA-N -1 3 341.367 2.604 20 30 EFEDHM Cc1[nH]nc(C(F)F)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000271303090 474483745 /nfs/dbraw/zinc/48/37/45/474483745.db2.gz SWDXAJAGGFBRHH-UHFFFAOYSA-N -1 3 349.341 2.816 20 30 EFEDHM CCOC(=O)N1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000184533719 474540040 /nfs/dbraw/zinc/54/00/40/474540040.db2.gz CBWNIZCOCGQSIK-GGNJANJASA-N -1 3 341.205 2.804 20 30 EFEDHM N#Cc1c([N-]C(=O)c2ncsc2C(F)(F)F)n[nH]c1C1CC1 ZINC000290459082 474572278 /nfs/dbraw/zinc/57/22/78/474572278.db2.gz LGLSBVDXCQACCB-UHFFFAOYSA-N -1 3 327.291 2.886 20 30 EFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000290502606 474574830 /nfs/dbraw/zinc/57/48/30/474574830.db2.gz AAUCYXPMYKXHFF-LBPRGKRZSA-N -1 3 347.209 2.559 20 30 EFEDHM CC[C@@]1(C/N=C\c2c([O-])c(C)ncc2CO)OCCc2ccccc21 ZINC000290539876 474575947 /nfs/dbraw/zinc/57/59/47/474575947.db2.gz LMOILMFPGDQLQZ-KMRXCDNJSA-N -1 3 340.423 2.885 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCO[C@H]2c2ccccc2)c1[O-] ZINC000277183884 474579744 /nfs/dbraw/zinc/57/97/44/474579744.db2.gz CJXGWLHQRXHFMI-BMNKPTRDSA-N -1 3 326.396 2.785 20 30 EFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000290995726 474590014 /nfs/dbraw/zinc/59/00/14/474590014.db2.gz UKGHBSQVJJHXBW-LBPRGKRZSA-N -1 3 336.310 2.815 20 30 EFEDHM CC(C)(C#N)c1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278116792 474601537 /nfs/dbraw/zinc/60/15/37/474601537.db2.gz LZHFQJJLWDPELW-NSHDSACASA-N -1 3 325.290 2.865 20 30 EFEDHM CCc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)ccc1[O-] ZINC000291589882 474625872 /nfs/dbraw/zinc/62/58/72/474625872.db2.gz VXUNTHPFDXHODT-UHFFFAOYSA-N -1 3 335.407 2.789 20 30 EFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000278529471 474684158 /nfs/dbraw/zinc/68/41/58/474684158.db2.gz UTOYQKFESQAKIL-LBPRGKRZSA-N -1 3 345.262 2.807 20 30 EFEDHM CC[C@H]1C[C@@]1([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(C)c1 ZINC000337114877 474711693 /nfs/dbraw/zinc/71/16/93/474711693.db2.gz GRCRIVJLFFVEQN-KSSFIOAISA-N -1 3 341.436 2.865 20 30 EFEDHM CC[C@H]1C[C@]1([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(C)c1 ZINC000337114873 474712331 /nfs/dbraw/zinc/71/23/31/474712331.db2.gz GRCRIVJLFFVEQN-KBXCAEBGSA-N -1 3 341.436 2.865 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 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/nfs/dbraw/zinc/74/69/55/476746955.db2.gz YBNWUEPIMSBDNN-UHFFFAOYSA-N -1 3 343.474 2.516 20 30 EFEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000452017727 476777133 /nfs/dbraw/zinc/77/71/33/476777133.db2.gz BFNRBWCRMRTCGW-SNVBAGLBSA-N -1 3 338.256 2.907 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)COC(C)C ZINC000414005660 476829773 /nfs/dbraw/zinc/82/97/73/476829773.db2.gz NXKPUXXNLQSBIU-UHFFFAOYSA-N -1 3 333.432 2.528 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1nc(Cc2cccc(F)c2)no1 ZINC000447286473 476971394 /nfs/dbraw/zinc/97/13/94/476971394.db2.gz JPWDMPACVOSDCG-UHFFFAOYSA-N -1 3 347.375 2.575 20 30 EFEDHM CCc1cc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)ccc1[O-] ZINC000366543600 477061252 /nfs/dbraw/zinc/06/12/52/477061252.db2.gz IVVNEIJVRVLANC-UHFFFAOYSA-N -1 3 333.351 2.659 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)s1 ZINC000366624075 477102489 /nfs/dbraw/zinc/10/24/89/477102489.db2.gz QBONXZCAEAGGBE-BBRMVZONSA-N -1 3 348.449 2.676 20 30 EFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000416399525 477160767 /nfs/dbraw/zinc/16/07/67/477160767.db2.gz HNCZMDWUMPWMPI-GFCCVEGCSA-N -1 3 341.230 2.708 20 30 EFEDHM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000432269578 477186361 /nfs/dbraw/zinc/18/63/61/477186361.db2.gz ILMYSDBGNWIOGC-UHFFFAOYSA-N -1 3 326.324 2.741 20 30 EFEDHM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000432291825 477189949 /nfs/dbraw/zinc/18/99/49/477189949.db2.gz ODRAGLQTGRKFBM-UHFFFAOYSA-N -1 3 337.351 2.543 20 30 EFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416525869 477201405 /nfs/dbraw/zinc/20/14/05/477201405.db2.gz NWHNYOUZFPCHJQ-JTQLQIEISA-N -1 3 331.821 2.760 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000416638827 477245150 /nfs/dbraw/zinc/24/51/50/477245150.db2.gz WWXUAAMMBPVSOB-INIZCTEOSA-N -1 3 345.468 2.685 20 30 EFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC(C)C ZINC000416649500 477249231 /nfs/dbraw/zinc/24/92/31/477249231.db2.gz PPQMIBLXPOPLMS-GFCCVEGCSA-N -1 3 330.837 2.551 20 30 EFEDHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(C#N)CCC2)s1 ZINC000416673037 477257367 /nfs/dbraw/zinc/25/73/67/477257367.db2.gz STZVOLSCSOZZNL-UHFFFAOYSA-N -1 3 349.275 2.791 20 30 EFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc2c(cc1Br)CCC2 ZINC000416948047 477382599 /nfs/dbraw/zinc/38/25/99/477382599.db2.gz BWKDUSCXRZSGFW-LLVKDONJSA-N -1 3 343.246 2.982 20 30 EFEDHM CCOc1ccc([N-]S(=O)(=O)[C@@H](C#N)CC)cc1Br ZINC000416966199 477392229 /nfs/dbraw/zinc/39/22/29/477392229.db2.gz VOYYGMXIYLVHMS-SNVBAGLBSA-N -1 3 347.234 2.892 20 30 EFEDHM COCCOc1ccc(C#N)cc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417016313 477423606 /nfs/dbraw/zinc/42/36/06/477423606.db2.gz AFYSCPPRDDKEJC-UHFFFAOYSA-N -1 3 340.383 2.569 20 30 EFEDHM COc1ccc([C@H](CC(=O)[O-])NCc2cc(C#N)cs2)cc1OC ZINC000417558884 477455642 /nfs/dbraw/zinc/45/56/42/477455642.db2.gz WHMOPYZZOIYFNP-AWEZNQCLSA-N -1 3 346.408 2.943 20 30 EFEDHM COc1ccc(CC[C@](C)(NCc2nc(C#N)cs2)C(=O)[O-])cc1 ZINC000417593455 477457043 /nfs/dbraw/zinc/45/70/43/477457043.db2.gz VGHAWHKOTBIGBI-KRWDZBQOSA-N -1 3 345.424 2.589 20 30 EFEDHM Cc1cccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1[O-] ZINC000436658727 477548087 /nfs/dbraw/zinc/54/80/87/477548087.db2.gz MPNXONRMLYKSAU-UHFFFAOYSA-N -1 3 336.326 2.571 20 30 EFEDHM CN(C)Cc1cccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1 ZINC000436700264 477562957 /nfs/dbraw/zinc/56/29/57/477562957.db2.gz ZJRGMLGVRWRDAF-INIZCTEOSA-N -1 3 337.427 2.556 20 30 EFEDHM C=CCC(CC=C)C(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436766525 477585280 /nfs/dbraw/zinc/58/52/80/477585280.db2.gz CMMYWWSDXYZSTN-UHFFFAOYSA-N -1 3 342.439 2.881 20 30 EFEDHM Cc1ncc(CNC(=O)N[C@H](CCCC#N)c2ccccc2)c(=O)[n-]1 ZINC000458798438 477603408 /nfs/dbraw/zinc/60/34/08/477603408.db2.gz IFCUDLMONKBENY-MRXNPFEDSA-N -1 3 339.399 2.725 20 30 EFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1ccc([O-])c(C)c1 ZINC000436840614 477607919 /nfs/dbraw/zinc/60/79/19/477607919.db2.gz PXQFEMSLYKRFDS-UHFFFAOYSA-N -1 3 326.352 2.850 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000425189946 477665712 /nfs/dbraw/zinc/66/57/12/477665712.db2.gz PFFYHMAVQHYETI-WCBMZHEXSA-N -1 3 347.209 2.559 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000425191772 477665839 /nfs/dbraw/zinc/66/58/39/477665839.db2.gz XPISKNBEQHENCE-WCBMZHEXSA-N -1 3 347.209 2.559 20 30 EFEDHM C=CC(C)(C)CNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000458986786 477689869 /nfs/dbraw/zinc/68/98/69/477689869.db2.gz LCOGYTNLCVXJNX-UHFFFAOYSA-N -1 3 345.443 2.965 20 30 EFEDHM C=CC[C@@H](CO)CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000428034676 477809135 /nfs/dbraw/zinc/80/91/35/477809135.db2.gz TVHWAIMAIWNOPQ-SECBINFHSA-N -1 3 325.821 2.706 20 30 EFEDHM N#Cc1ccccc1N1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000459293820 477824535 /nfs/dbraw/zinc/82/45/35/477824535.db2.gz GIQIAHGPPQICDJ-UHFFFAOYSA-N -1 3 349.438 2.644 20 30 EFEDHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1cccnc1C#N)C(C)C ZINC000428269191 477855933 /nfs/dbraw/zinc/85/59/33/477855933.db2.gz IELLAHILPZDQES-QGZVFWFLSA-N -1 3 329.425 2.937 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000428273063 477858273 /nfs/dbraw/zinc/85/82/73/477858273.db2.gz XXPAVDIIKMQQEY-HZPDHXFCSA-N -1 3 341.436 2.643 20 30 EFEDHM N#CCC1(CS(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)CC1 ZINC000451169231 477858427 /nfs/dbraw/zinc/85/84/27/477858427.db2.gz ZHNSGAJMZRILLH-AWEZNQCLSA-N -1 3 347.465 2.846 20 30 EFEDHM C=CCc1cc(OCC)cc(CN2CCO[C@@H](COCC)C2)c1[O-] ZINC000530104009 477876825 /nfs/dbraw/zinc/87/68/25/477876825.db2.gz ATHKIEMPUAZQEB-GOSISDBHSA-N -1 3 335.444 2.757 20 30 EFEDHM C[C@@]1(C[N-]S(=O)(=O)c2cccnc2C#N)CCCc2ccccc21 ZINC000428400593 477886223 /nfs/dbraw/zinc/88/62/23/477886223.db2.gz NYTMRCDPMUAABC-SFHVURJKSA-N -1 3 341.436 2.526 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(N3CCCNC3=O)c2)nc(C)n1 ZINC000531382461 477902223 /nfs/dbraw/zinc/90/22/23/477902223.db2.gz MZMFAKBOGQQTJJ-MRXNPFEDSA-N -1 3 349.394 2.503 20 30 EFEDHM COCCCn1c(=O)[n-]nc1SCc1ccc(C#N)cc1Cl ZINC000438893751 477903123 /nfs/dbraw/zinc/90/31/23/477903123.db2.gz CPEATXQJAKTNBC-UHFFFAOYSA-N -1 3 338.820 2.838 20 30 EFEDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C[C@H]1OC ZINC000531687309 477909964 /nfs/dbraw/zinc/90/99/64/477909964.db2.gz ZPQIYKKFDCEELB-HUUCEWRRSA-N -1 3 340.420 2.569 20 30 EFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@H]1COc2ccc(Cl)cc21 ZINC000451311386 477946198 /nfs/dbraw/zinc/94/61/98/477946198.db2.gz IMCNYXDJBLIIJK-LBPRGKRZSA-N -1 3 328.821 2.633 20 30 EFEDHM COCC1(C#N)CCN(Cc2cccc([O-])c2Br)CC1 ZINC000459526437 477954850 /nfs/dbraw/zinc/95/48/50/477954850.db2.gz OCUUSDSPZNYDKL-UHFFFAOYSA-N -1 3 339.233 2.907 20 30 EFEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(CC#N)c1 ZINC000421147837 477981683 /nfs/dbraw/zinc/98/16/83/477981683.db2.gz FTCMFKVIWJOFIW-GOSISDBHSA-N -1 3 344.436 2.752 20 30 EFEDHM CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000421147466 477982333 /nfs/dbraw/zinc/98/23/33/477982333.db2.gz CABJFKJGSQKDBR-GOSISDBHSA-N -1 3 344.436 2.752 20 30 EFEDHM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1cn[n-]c(=O)c1Cl ZINC000494470634 477992514 /nfs/dbraw/zinc/99/25/14/477992514.db2.gz NEGHTELJEXENMT-MRVPVSSYSA-N -1 3 343.815 2.927 20 30 EFEDHM CCn1c(=O)[n-]nc1SCc1ccc(C#N)cc1OC(F)F ZINC000439538277 478000528 /nfs/dbraw/zinc/00/05/28/478000528.db2.gz ZCLCKNFQNNCABM-UHFFFAOYSA-N -1 3 326.328 2.769 20 30 EFEDHM N#CC1([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCCCC1 ZINC000421234818 478015010 /nfs/dbraw/zinc/01/50/10/478015010.db2.gz OBHWXMFGTJTNNX-UHFFFAOYSA-N -1 3 348.346 2.932 20 30 EFEDHM CC[C@@H](CS(=O)(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1)OC ZINC000421252422 478020146 /nfs/dbraw/zinc/02/01/46/478020146.db2.gz TWAVJBWYVCCUKP-BBBYJDLNSA-N -1 3 330.494 2.829 20 30 EFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000533089976 478034167 /nfs/dbraw/zinc/03/41/67/478034167.db2.gz RDFVHSNSKHCUBU-SECBINFHSA-N -1 3 335.198 2.559 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000560227834 478034815 /nfs/dbraw/zinc/03/48/15/478034815.db2.gz HOEAZROLQIAEEK-CABCVRRESA-N -1 3 326.400 2.952 20 30 EFEDHM C=CCC[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000533261961 478058380 /nfs/dbraw/zinc/05/83/80/478058380.db2.gz JKCHJUGCDNSIAZ-SFHVURJKSA-N -1 3 338.407 2.946 20 30 EFEDHM COc1cnc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)nc1 ZINC000459853237 478116020 /nfs/dbraw/zinc/11/60/20/478116020.db2.gz OVUQPBFFACHAOU-UHFFFAOYSA-N -1 3 328.397 2.940 20 30 EFEDHM C#Cc1cccc(NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000495070492 478117243 /nfs/dbraw/zinc/11/72/43/478117243.db2.gz YJERRPZXPKKIQP-GFCCVEGCSA-N -1 3 333.388 2.634 20 30 EFEDHM C#Cc1cccc(NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000495070492 478117247 /nfs/dbraw/zinc/11/72/47/478117247.db2.gz YJERRPZXPKKIQP-GFCCVEGCSA-N -1 3 333.388 2.634 20 30 EFEDHM CC[C@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)OC ZINC000451674943 478151734 /nfs/dbraw/zinc/15/17/34/478151734.db2.gz AYHNLNDXAXPCQA-GXFFZTMASA-N -1 3 330.837 2.551 20 30 EFEDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)OC ZINC000451674945 478152092 /nfs/dbraw/zinc/15/20/92/478152092.db2.gz AYHNLNDXAXPCQA-MFKMUULPSA-N -1 3 330.837 2.551 20 30 EFEDHM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)OC ZINC000451674947 478152165 /nfs/dbraw/zinc/15/21/65/478152165.db2.gz AYHNLNDXAXPCQA-ZWNOBZJWSA-N -1 3 330.837 2.551 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1OC ZINC000429570196 478157303 /nfs/dbraw/zinc/15/73/03/478157303.db2.gz OAMOMLIJDZRBMS-LBPRGKRZSA-N -1 3 336.351 2.774 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(C)(F)F ZINC000451691331 478158115 /nfs/dbraw/zinc/15/81/15/478158115.db2.gz QMILBZDREUDWPB-ZETCQYMHSA-N -1 3 342.289 2.899 20 30 EFEDHM COC(=O)Nc1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1[O-] ZINC000495296404 478165624 /nfs/dbraw/zinc/16/56/24/478165624.db2.gz FWCQHMMWWHAZSX-UHFFFAOYSA-N -1 3 340.335 2.994 20 30 EFEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)[nH]1 ZINC000429670261 478170915 /nfs/dbraw/zinc/17/09/15/478170915.db2.gz JMTGVSPNZGACIV-SECBINFHSA-N -1 3 337.257 2.705 20 30 EFEDHM CCOC(=O)N1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000495462897 478202074 /nfs/dbraw/zinc/20/20/74/478202074.db2.gz CBWNIZCOCGQSIK-LUMBYOQCSA-N -1 3 341.205 2.804 20 30 EFEDHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000489278627 478229775 /nfs/dbraw/zinc/22/97/75/478229775.db2.gz OJXGDQYROVEQAT-SECBINFHSA-N -1 3 325.390 2.502 20 30 EFEDHM C[C@@]1(NC(=O)c2ccc(C#N)c([O-])c2)CCN(Cc2ccccc2)C1 ZINC000519545919 478232747 /nfs/dbraw/zinc/23/27/47/478232747.db2.gz ONUOPIQCUTYMJM-HXUWFJFHSA-N -1 3 335.407 2.658 20 30 EFEDHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000489636709 478262012 /nfs/dbraw/zinc/26/20/12/478262012.db2.gz YAYAVSYLMPIAHQ-KRWDZBQOSA-N -1 3 347.436 2.940 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(C)c(Br)ccc1[O-] ZINC000562562224 478268496 /nfs/dbraw/zinc/26/84/96/478268496.db2.gz DMVHXNJCWOVQSQ-SKDRFNHKSA-N -1 3 326.190 2.993 20 30 EFEDHM C=CCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000489803912 478271322 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C#CCN1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC1 ZINC000490718400 478375820 /nfs/dbraw/zinc/37/58/20/478375820.db2.gz INOWVENQPRMQQI-UHFFFAOYSA-N -1 3 342.317 2.575 20 30 EFEDHM CC(C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000581273635 478377153 /nfs/dbraw/zinc/37/71/53/478377153.db2.gz RGMDWEHGXISRHR-UHFFFAOYSA-N -1 3 337.626 2.683 20 30 EFEDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)o1 ZINC000524149107 478388509 /nfs/dbraw/zinc/38/85/09/478388509.db2.gz AKNUYZLQBQZBJY-ZWNOBZJWSA-N -1 3 334.372 2.892 20 30 EFEDHM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1OCCN(C)C ZINC000590920690 478398418 /nfs/dbraw/zinc/39/84/18/478398418.db2.gz CTYHKMQQSCFQIJ-UHFFFAOYSA-N -1 3 339.395 2.765 20 30 EFEDHM Cc1ccc(C[C@H](C#N)Sc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000600586614 478429919 /nfs/dbraw/zinc/42/99/19/478429919.db2.gz NBKDNZFGBYPSIJ-GFCCVEGCSA-N -1 3 325.397 2.604 20 30 EFEDHM COC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c1 ZINC000491143893 478451612 /nfs/dbraw/zinc/45/16/12/478451612.db2.gz 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C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000678845292 549002060 /nfs/dbraw/zinc/00/20/60/549002060.db2.gz JYGCBEWXCNEVLO-NWDGAFQWSA-N -1 3 344.502 2.968 20 30 EFEDHM C=C(C)CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000679244437 549085336 /nfs/dbraw/zinc/08/53/36/549085336.db2.gz VJYNQVPOEVNCBK-UHFFFAOYSA-N -1 3 335.201 2.939 20 30 EFEDHM N#CC(=C([O-])c1ccc2[nH]c(=O)oc2c1)c1cnc2ccccc2n1 ZINC000682995200 549835932 /nfs/dbraw/zinc/83/59/32/549835932.db2.gz QEPMUIYFSDALMK-LLVKDONJSA-N -1 3 330.303 2.967 20 30 EFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000684920412 550112803 /nfs/dbraw/zinc/11/28/03/550112803.db2.gz OHPFGILKYDERGH-ZYHUDNBSSA-N -1 3 330.475 2.578 20 30 EFEDHM CC(C)(C#N)CS(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000753874358 575353841 /nfs/dbraw/zinc/35/38/41/575353841.db2.gz GFRPKNJQUGELFK-HUUCEWRRSA-N -1 3 340.420 2.515 20 30 EFEDHM CCCCCCCC[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000754809375 575494464 /nfs/dbraw/zinc/49/44/64/575494464.db2.gz 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575789718 /nfs/dbraw/zinc/78/97/18/575789718.db2.gz AJBLNYMWVLJEGY-UHFFFAOYSA-N -1 3 337.177 2.789 20 30 EFEDHM CC(=O)N1CC[C@@H](/N=C\c2ccc(O)c([O-])c2O)c2ccccc21 ZINC000756845049 575791459 /nfs/dbraw/zinc/79/14/59/575791459.db2.gz AXBGNUFIGBGCLW-SAGYFLTASA-N -1 3 326.352 2.720 20 30 EFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000756975754 575807182 /nfs/dbraw/zinc/80/71/82/575807182.db2.gz NUIYEQSQCVFWEM-MRXNPFEDSA-N -1 3 328.368 2.740 20 30 EFEDHM C#CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000756975942 575807228 /nfs/dbraw/zinc/80/72/28/575807228.db2.gz QSOYWSNWMSFEIM-INIZCTEOSA-N -1 3 328.368 2.740 20 30 EFEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cs1)c1ccccc1 ZINC000756976209 575807240 /nfs/dbraw/zinc/80/72/40/575807240.db2.gz RNTSCCBGAYYYOR-AWEZNQCLSA-N -1 3 349.433 2.578 20 30 EFEDHM C#CC[C@H]([N-]S(=O)(=O)c1csc(C(=O)OC)c1)c1ccccc1 ZINC000756979885 575807453 /nfs/dbraw/zinc/80/74/53/575807453.db2.gz FACYPJDQOZBVDE-AWEZNQCLSA-N -1 3 349.433 2.578 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2cc3ccccc3s2)c1[O-] ZINC000757524629 575841460 /nfs/dbraw/zinc/84/14/60/575841460.db2.gz ANWWKDIZHHHIFF-ODGHKMFZSA-N -1 3 342.420 2.955 20 30 EFEDHM CC(C)c1ncc(C=N[N-]S(=O)(=O)CCc2ccccc2)s1 ZINC000758379493 575868154 /nfs/dbraw/zinc/86/81/54/575868154.db2.gz WAZGJKPUKAYTRO-UHFFFAOYSA-N -1 3 337.470 2.763 20 30 EFEDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2cccc(F)c2C#N)s1 ZINC000758638921 575874722 /nfs/dbraw/zinc/87/47/22/575874722.db2.gz OQKAQYZKWMDQNH-VIFPVBQESA-N -1 3 339.417 2.544 20 30 EFEDHM COc1cc(Cl)cc(C=Nn2c(C)cc(C)c(C#N)c2=O)c1[O-] ZINC000758869836 575879106 /nfs/dbraw/zinc/87/91/06/575879106.db2.gz HFDDHIUENLSTRI-UHFFFAOYSA-N -1 3 331.759 2.587 20 30 EFEDHM N#Cc1ccc(-n2ccc(NC([O-])=NOCC(F)F)n2)c(Cl)c1 ZINC000760030791 575973626 /nfs/dbraw/zinc/97/36/26/575973626.db2.gz LVSYHBLEEKLTHD-UHFFFAOYSA-N -1 3 341.705 2.716 20 30 EFEDHM N#Cc1ccc(-n2ccc(NC(=O)[N-]OCC(F)F)n2)c(Cl)c1 ZINC000760030791 575973628 /nfs/dbraw/zinc/97/36/28/575973628.db2.gz 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/nfs/dbraw/zinc/22/12/16/576221216.db2.gz TVLITAGQSSCHFE-UHFFFAOYSA-N -1 3 328.763 2.857 20 30 EFEDHM C=CCn1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1cccnc1 ZINC000761859323 576221578 /nfs/dbraw/zinc/22/15/78/576221578.db2.gz FEGZAVRXISRGCC-UHFFFAOYSA-N -1 3 340.412 2.622 20 30 EFEDHM CCOc1ccc(/C=N/[C@@H]2CCCC[C@@H]2N2CCOCC2)c([O-])c1 ZINC000763098748 576361411 /nfs/dbraw/zinc/36/14/11/576361411.db2.gz YWQXFUQNRSKQMN-JXOOJWAFSA-N -1 3 332.444 2.853 20 30 EFEDHM CCOc1ccc(/C=N/[C@@H]2CCCC[C@H]2N2CCOCC2)c([O-])c1 ZINC000763098752 576361432 /nfs/dbraw/zinc/36/14/32/576361432.db2.gz YWQXFUQNRSKQMN-RDAAMTITSA-N -1 3 332.444 2.853 20 30 EFEDHM Cc1cc(=O)[n-]c(CSCC(=O)Nc2cc(Cl)ccc2C#N)n1 ZINC000763219195 576367800 /nfs/dbraw/zinc/36/78/00/576367800.db2.gz XQVRDCNNXOQKDY-UHFFFAOYSA-N -1 3 348.815 2.888 20 30 EFEDHM CCCn1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000763420582 576376728 /nfs/dbraw/zinc/37/67/28/576376728.db2.gz IQHCOAQQLIKGNI-UHFFFAOYSA-N -1 3 340.427 2.736 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nccn3cc(C)nc23)cc1 ZINC000763929591 576411726 /nfs/dbraw/zinc/41/17/26/576411726.db2.gz HQDXFWCUEFTLRR-OAHLLOKOSA-N -1 3 347.378 2.561 20 30 EFEDHM CS(=O)(=O)[N-]N=C1CCCc2nc(-c3ccccc3F)sc21 ZINC000764700877 576490486 /nfs/dbraw/zinc/49/04/86/576490486.db2.gz SPULWVRYGIYHMM-UHFFFAOYSA-N -1 3 339.417 2.539 20 30 EFEDHM CC(=N[N-]S(C)(=O)=O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000764703976 576491144 /nfs/dbraw/zinc/49/11/44/576491144.db2.gz IUSBHJOGGOBEIS-UHFFFAOYSA-N -1 3 336.388 2.678 20 30 EFEDHM CS(=O)(=O)[N-]N=C(Cc1ccccc1F)Cc1ccccc1F ZINC000764704380 576491225 /nfs/dbraw/zinc/49/12/25/576491225.db2.gz NCZCZAZVTBPKQQ-UHFFFAOYSA-N -1 3 338.379 2.655 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCc3cn(C(C)C)nc32)c1[O-] ZINC000764887510 576517975 /nfs/dbraw/zinc/51/79/75/576517975.db2.gz NLZDMRNSGDICRY-RUIVNBNWSA-N -1 3 328.416 2.862 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCO[C@H](c3ccccc3)C2)c1[O-] ZINC000764888594 576518068 /nfs/dbraw/zinc/51/80/68/576518068.db2.gz 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/nfs/dbraw/zinc/23/39/63/577233963.db2.gz LTKOLQZLCLJREN-KRWDZBQOSA-N -1 3 328.343 2.964 20 30 EFEDHM COc1cccc([C@@H](C#N)NC(=O)c2cc(C)ccc2[O-])c1OC ZINC000768152825 577258075 /nfs/dbraw/zinc/25/80/75/577258075.db2.gz PRFHOLMPVIBGKI-CQSZACIVSA-N -1 3 326.352 2.713 20 30 EFEDHM N#Cc1ccnc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000768233251 577262085 /nfs/dbraw/zinc/26/20/85/577262085.db2.gz MKXGRRIJRGUCFB-UHFFFAOYSA-N -1 3 328.803 2.634 20 30 EFEDHM C[C@@H]1CCC[C@@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000768364550 577268790 /nfs/dbraw/zinc/26/87/90/577268790.db2.gz KCSIKQKPZFNEPP-TZMCWYRMSA-N -1 3 339.417 2.826 20 30 EFEDHM Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1cc(C#N)cc(Cl)n1 ZINC000768374742 577269568 /nfs/dbraw/zinc/26/95/68/577269568.db2.gz JVVBXBUTVAXFOX-UHFFFAOYSA-N -1 3 329.722 2.823 20 30 EFEDHM CCOc1ccc(/C=N/CC(=O)N2CCc3ccccc3C2)c([O-])c1 ZINC000726429207 577364445 /nfs/dbraw/zinc/36/44/45/577364445.db2.gz LIRIEAIYSNRPOZ-CIAFOILYSA-N -1 3 338.407 2.795 20 30 EFEDHM C#C[C@H](C)N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000769655804 577377118 /nfs/dbraw/zinc/37/71/18/577377118.db2.gz IYFAWRWDLVXXDA-VIFPVBQESA-N -1 3 338.285 2.520 20 30 EFEDHM COc1ccccc1CN=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1 ZINC000769812011 577387326 /nfs/dbraw/zinc/38/73/26/577387326.db2.gz JHRANDFFEDAVLN-UHFFFAOYSA-N -1 3 340.387 2.742 20 30 EFEDHM COc1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)c2ccccc12 ZINC000769817588 577387552 /nfs/dbraw/zinc/38/75/52/577387552.db2.gz BFJVHOZLOLMKFV-UHFFFAOYSA-N -1 3 348.366 2.677 20 30 EFEDHM CCO[C@H](C[N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000770424546 577417259 /nfs/dbraw/zinc/41/72/59/577417259.db2.gz OHAIJMPKRANBSY-MRXNPFEDSA-N -1 3 348.399 2.753 20 30 EFEDHM COc1cccc([O-])c1/C=N/[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000770569760 581111635 /nfs/dbraw/zinc/11/16/35/581111635.db2.gz YEUDTLLDWHJQTQ-PQDFQZGZSA-N -1 3 346.333 2.903 20 30 EFEDHM CCOc1cc(C=NNC[C@H](C)C#N)cc(Br)c1[O-] ZINC000771098865 581175213 /nfs/dbraw/zinc/17/52/13/581175213.db2.gz NLNSXIARDZRLBP-SECBINFHSA-N -1 3 326.194 2.637 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=C1CCSCC1 ZINC000772646044 581351340 /nfs/dbraw/zinc/35/13/40/581351340.db2.gz QDRONWXHYBJPGE-CYBMUJFWSA-N -1 3 330.409 2.796 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])C=C2CCSCC2)c1 ZINC000772647370 581351363 /nfs/dbraw/zinc/35/13/63/581351363.db2.gz XXCATPMTUCFJMV-OAHLLOKOSA-N -1 3 330.409 2.796 20 30 EFEDHM CCOc1ccc(/C=N/[C@@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000772801958 581370097 /nfs/dbraw/zinc/37/00/97/581370097.db2.gz JFKQVVFKTIJIKL-PCQWDSEFSA-N -1 3 344.333 2.763 20 30 EFEDHM CC#CCC[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000772932860 581381938 /nfs/dbraw/zinc/38/19/38/581381938.db2.gz HHTAVWIFTNAHHF-UHFFFAOYSA-N -1 3 326.780 2.719 20 30 EFEDHM COc1c([O-])c(C=NNc2cnc3ccccc3n2)ccc1[N+](=O)[O-] ZINC000773056383 581391664 /nfs/dbraw/zinc/39/16/64/581391664.db2.gz YPLZNYOBRYYWTC-UHFFFAOYSA-N -1 3 339.311 2.698 20 30 EFEDHM COc1c([O-])c(CN=Nc2cnc3ccccc3n2)ccc1[N+](=O)[O-] ZINC000773056383 581391665 /nfs/dbraw/zinc/39/16/65/581391665.db2.gz YPLZNYOBRYYWTC-UHFFFAOYSA-N -1 3 339.311 2.698 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)[C@@H]1CCCO1 ZINC000773059322 581391898 /nfs/dbraw/zinc/39/18/98/581391898.db2.gz WEOAGKPHHZMVKT-RYUDHWBXSA-N -1 3 348.251 2.761 20 30 EFEDHM Brc1cccc2c1CCC2=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000773200760 581404494 /nfs/dbraw/zinc/40/44/94/581404494.db2.gz JXPSWXJPMSESJG-UHFFFAOYSA-N -1 3 343.188 2.878 20 30 EFEDHM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000773359955 581422882 /nfs/dbraw/zinc/42/28/82/581422882.db2.gz QEJCAIRENIGGBQ-LLVKDONJSA-N -1 3 333.388 2.694 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccn(Cc2ccccc2)n1 ZINC000773974152 581476177 /nfs/dbraw/zinc/47/61/77/581476177.db2.gz HEZWBNNJXIBJBR-KRWDZBQOSA-N -1 3 344.374 2.893 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)c(C)s2)cc1 ZINC000774054163 581480707 /nfs/dbraw/zinc/48/07/07/581480707.db2.gz QTNRMAUEYXTCQB-ZDUSSCGKSA-N -1 3 329.381 2.730 20 30 EFEDHM O=C1Nc2c(cc([N+](=O)[O-])cc2F)C1=N[N-]c1ncccc1Cl ZINC000774372751 581490409 /nfs/dbraw/zinc/49/04/09/581490409.db2.gz IGICMFMALLCNCH-UHFFFAOYSA-N -1 3 335.682 2.551 20 30 EFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1ncccc1Cl ZINC000774372751 581490410 /nfs/dbraw/zinc/49/04/10/581490410.db2.gz IGICMFMALLCNCH-UHFFFAOYSA-N -1 3 335.682 2.551 20 30 EFEDHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000774894172 581503418 /nfs/dbraw/zinc/50/34/18/581503418.db2.gz JCGWNWQHSIOBFK-HUUCEWRRSA-N -1 3 340.420 2.569 20 30 EFEDHM Cc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737337564 598918185 /nfs/dbraw/zinc/91/81/85/598918185.db2.gz GYJMBPMWCRWMCW-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737337564 598918187 /nfs/dbraw/zinc/91/81/87/598918187.db2.gz GYJMBPMWCRWMCW-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1F ZINC000819773931 607253081 /nfs/dbraw/zinc/25/30/81/607253081.db2.gz XMGNRFQYEWHDAM-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1F ZINC000819773931 607253082 /nfs/dbraw/zinc/25/30/82/607253082.db2.gz XMGNRFQYEWHDAM-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc2cccnc12 ZINC000819718496 607253115 /nfs/dbraw/zinc/25/31/15/607253115.db2.gz JXXBCQRWNYRZJN-UHFFFAOYSA-N -1 3 329.367 2.539 20 30 EFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc2cccnc12 ZINC000819718496 607253116 /nfs/dbraw/zinc/25/31/16/607253116.db2.gz JXXBCQRWNYRZJN-UHFFFAOYSA-N -1 3 329.367 2.539 20 30 EFEDHM Clc1ccc2c(c1)CCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822582153 607254482 /nfs/dbraw/zinc/25/44/82/607254482.db2.gz RAOJSVZVMYRCNW-UHFFFAOYSA-N -1 3 338.802 2.960 20 30 EFEDHM Clc1ccc2c(c1)CCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822582153 607254483 /nfs/dbraw/zinc/25/44/83/607254483.db2.gz RAOJSVZVMYRCNW-UHFFFAOYSA-N -1 3 338.802 2.960 20 30 EFEDHM CCCCCCCCOCC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736448640 599075783 /nfs/dbraw/zinc/07/57/83/599075783.db2.gz OAZIUFFWTNOBRD-UHFFFAOYSA-N -1 3 332.408 2.577 20 30 EFEDHM CCCCCCCCOCC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736448640 599075787 /nfs/dbraw/zinc/07/57/87/599075787.db2.gz OAZIUFFWTNOBRD-UHFFFAOYSA-N -1 3 332.408 2.577 20 30 EFEDHM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1(C)C ZINC000735680833 599112635 /nfs/dbraw/zinc/11/26/35/599112635.db2.gz ZQJJEPBXWMOSJE-LSDHHAIUSA-N -1 3 336.399 2.915 20 30 EFEDHM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1(C)C ZINC000735680833 599112637 /nfs/dbraw/zinc/11/26/37/599112637.db2.gz ZQJJEPBXWMOSJE-LSDHHAIUSA-N -1 3 336.399 2.915 20 30 EFEDHM C=CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000819740301 607262509 /nfs/dbraw/zinc/26/25/09/607262509.db2.gz XIWOHDVDDAOJIN-UHFFFAOYSA-N -1 3 340.774 2.748 20 30 EFEDHM C=CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000819740301 607262510 /nfs/dbraw/zinc/26/25/10/607262510.db2.gz XIWOHDVDDAOJIN-UHFFFAOYSA-N -1 3 340.774 2.748 20 30 EFEDHM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817733514 597085640 /nfs/dbraw/zinc/08/56/40/597085640.db2.gz DTYVJMGJABGKQP-HOTGVXAUSA-N -1 3 343.427 2.508 20 30 EFEDHM C[C@@H](Nc1c(C#N)cnc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736137990 599271626 /nfs/dbraw/zinc/27/16/26/599271626.db2.gz MWCDBNNIUNFCQO-GFCCVEGCSA-N -1 3 341.378 2.882 20 30 EFEDHM C[C@@H](Nc1c(C#N)cnc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137990 599271628 /nfs/dbraw/zinc/27/16/28/599271628.db2.gz MWCDBNNIUNFCQO-GFCCVEGCSA-N -1 3 341.378 2.882 20 30 EFEDHM CCOc1ccc(O)c(C=NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736648065 598295464 /nfs/dbraw/zinc/29/54/64/598295464.db2.gz XGMAECGNAOPVCO-VXLYETTFSA-N -1 3 341.346 2.729 20 30 EFEDHM CCOc1ccc(O)c(C=NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736648065 598295466 /nfs/dbraw/zinc/29/54/66/598295466.db2.gz XGMAECGNAOPVCO-VXLYETTFSA-N -1 3 341.346 2.729 20 30 EFEDHM C=CCCC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735408333 598325294 /nfs/dbraw/zinc/32/52/94/598325294.db2.gz JKLPGLVDAGRPPL-UHFFFAOYSA-N -1 3 340.412 2.819 20 30 EFEDHM C=CCCC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735408333 598325296 /nfs/dbraw/zinc/32/52/96/598325296.db2.gz JKLPGLVDAGRPPL-UHFFFAOYSA-N -1 3 340.412 2.819 20 30 EFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735387843 598417825 /nfs/dbraw/zinc/41/78/25/598417825.db2.gz HSVJOHFNWDWCLS-ZDUSSCGKSA-N -1 3 348.362 2.797 20 30 EFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735387843 598417826 /nfs/dbraw/zinc/41/78/26/598417826.db2.gz HSVJOHFNWDWCLS-ZDUSSCGKSA-N -1 3 348.362 2.797 20 30 EFEDHM C[C@@H](OC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000736157051 598482951 /nfs/dbraw/zinc/48/29/51/598482951.db2.gz YOHQOZGSOSUXSQ-GFCCVEGCSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@@H](OC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000736157051 598482953 /nfs/dbraw/zinc/48/29/53/598482953.db2.gz YOHQOZGSOSUXSQ-GFCCVEGCSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735502974 598496202 /nfs/dbraw/zinc/49/62/02/598496202.db2.gz IAPKOFMHWQBTHN-LBPRGKRZSA-N -1 3 333.355 2.604 20 30 EFEDHM C#CCOc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380153 598511804 /nfs/dbraw/zinc/51/18/04/598511804.db2.gz DKDOOEWQWVSRTI-UHFFFAOYSA-N -1 3 334.339 2.523 20 30 EFEDHM C#CCOc1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735380153 598511806 /nfs/dbraw/zinc/51/18/06/598511806.db2.gz DKDOOEWQWVSRTI-UHFFFAOYSA-N -1 3 334.339 2.523 20 30 EFEDHM CCOc1ccccc1C=NOCc1ccc(F)cc1-c1nnn[n-]1 ZINC000736654227 598674360 /nfs/dbraw/zinc/67/43/60/598674360.db2.gz SUUKVGVSJLLYRS-UHFFFAOYSA-N -1 3 341.346 2.955 20 30 EFEDHM CCOc1ccccc1C=NOCc1ccc(F)cc1-c1nn[n-]n1 ZINC000736654227 598674362 /nfs/dbraw/zinc/67/43/62/598674362.db2.gz SUUKVGVSJLLYRS-UHFFFAOYSA-N -1 3 341.346 2.955 20 30 EFEDHM C[C@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735503587 599494143 /nfs/dbraw/zinc/49/41/43/599494143.db2.gz JXVRXURPLJKXDT-LLVKDONJSA-N -1 3 334.339 2.757 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1ccccc1C#N ZINC000826253092 607407837 /nfs/dbraw/zinc/40/78/37/607407837.db2.gz FHTFZUBFXGOBJP-HJWRWDBZSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1ccccc1C#N ZINC000826253092 607407838 /nfs/dbraw/zinc/40/78/38/607407838.db2.gz FHTFZUBFXGOBJP-HJWRWDBZSA-N -1 3 345.362 2.803 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000736095269 599994662 /nfs/dbraw/zinc/99/46/62/599994662.db2.gz OKHQVMRFOUOFQS-UHFFFAOYSA-N -1 3 332.404 2.939 20 30 EFEDHM C=CCN1CCC(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000736107046 600114608 /nfs/dbraw/zinc/11/46/08/600114608.db2.gz PTXYUJDCWHOLFM-UHFFFAOYSA-N -1 3 336.367 2.688 20 30 EFEDHM C=CCOc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823932351 607436409 /nfs/dbraw/zinc/43/64/09/607436409.db2.gz VJLYPGDJJMSHSA-UHFFFAOYSA-N -1 3 335.367 2.708 20 30 EFEDHM C=CCOc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823932351 607436412 /nfs/dbraw/zinc/43/64/12/607436412.db2.gz VJLYPGDJJMSHSA-UHFFFAOYSA-N -1 3 335.367 2.708 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000736663459 600591106 /nfs/dbraw/zinc/59/11/06/600591106.db2.gz YYBFSHMGHZBYND-SGTLLEGYSA-N -1 3 338.363 2.806 20 30 EFEDHM O=C1c2cccc(F)c2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504983 607460617 /nfs/dbraw/zinc/46/06/17/607460617.db2.gz WPBDCWHJKRTDDE-IZZDOVSWSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cccc(F)c2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504983 607460618 /nfs/dbraw/zinc/46/06/18/607460618.db2.gz WPBDCWHJKRTDDE-IZZDOVSWSA-N -1 3 340.289 2.804 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833039214 601235798 /nfs/dbraw/zinc/23/57/98/601235798.db2.gz ZTBBFDSRNDTVHU-FRRDWIJNSA-N -1 3 325.368 2.641 20 30 EFEDHM CCOC(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829881555 601301706 /nfs/dbraw/zinc/30/17/06/601301706.db2.gz MOCLSMWOZHBDBC-KRWDZBQOSA-N -1 3 338.363 2.650 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)CC(=O)N2C ZINC000827717190 601303883 /nfs/dbraw/zinc/30/38/83/601303883.db2.gz FDXVFGVUEZTZGF-BUXKBTBVSA-N -1 3 349.390 2.554 20 30 EFEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1O ZINC000832310733 601320695 /nfs/dbraw/zinc/32/06/95/601320695.db2.gz FZUGSACBDWJZJS-QGZVFWFLSA-N -1 3 326.352 2.530 20 30 EFEDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000826053142 601656582 /nfs/dbraw/zinc/65/65/82/601656582.db2.gz IPESCDXBWUOOKQ-SCLBCKFNSA-N -1 3 337.379 2.548 20 30 EFEDHM C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833589138 604616056 /nfs/dbraw/zinc/61/60/56/604616056.db2.gz KVNALCIKBZIDFP-YJYMSZOUSA-N -1 3 330.428 2.923 20 30 EFEDHM Cc1ccn(-c2ccccc2CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000832983450 604645917 /nfs/dbraw/zinc/64/59/17/604645917.db2.gz GQUWYRCDTRNWNK-IBGZPJMESA-N -1 3 346.390 2.968 20 30 EFEDHM CC(C)CSCCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000824275016 607710203 /nfs/dbraw/zinc/71/02/03/607710203.db2.gz QTTTYRMXDYZSRI-UHFFFAOYSA-N -1 3 349.489 2.587 20 30 EFEDHM CC(C)CSCCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000824275016 607710205 /nfs/dbraw/zinc/71/02/05/607710205.db2.gz QTTTYRMXDYZSRI-UHFFFAOYSA-N -1 3 349.489 2.587 20 30 EFEDHM C[C@@]1(NCc2nnc(-c3cccc(C#N)c3)o2)CCCC[C@@H]1C(=O)[O-] ZINC000833568912 605071735 /nfs/dbraw/zinc/07/17/35/605071735.db2.gz IIFRAUIBSVSFBB-RDTXWAMCSA-N -1 3 340.383 2.731 20 30 EFEDHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(Oc3cccc(C#N)c3)CC2)O1 ZINC000833583759 605334155 /nfs/dbraw/zinc/33/41/55/605334155.db2.gz KAHVXARRBQLNEP-QGZVFWFLSA-N -1 3 342.395 2.549 20 30 EFEDHM N#Cc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000822829957 606176003 /nfs/dbraw/zinc/17/60/03/606176003.db2.gz QUZFZMCWMWCEKB-OWOJBTEDSA-N -1 3 348.341 2.919 20 30 EFEDHM N#Cc1ccc(NC(=O)C/C=C/c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000822829957 606176005 /nfs/dbraw/zinc/17/60/05/606176005.db2.gz QUZFZMCWMWCEKB-OWOJBTEDSA-N -1 3 348.341 2.919 20 30 EFEDHM N#Cc1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000822829958 606176205 /nfs/dbraw/zinc/17/62/05/606176205.db2.gz QUZFZMCWMWCEKB-UPHRSURJSA-N -1 3 348.341 2.919 20 30 EFEDHM N#Cc1ccc(NC(=O)C/C=C\c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000822829958 606176206 /nfs/dbraw/zinc/17/62/06/606176206.db2.gz QUZFZMCWMWCEKB-UPHRSURJSA-N -1 3 348.341 2.919 20 30 EFEDHM CCN(CCC#N)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000821207957 606300717 /nfs/dbraw/zinc/30/07/17/606300717.db2.gz ZVHHODAYAPRMJW-UHFFFAOYSA-N -1 3 346.398 2.716 20 30 EFEDHM CCN(CCC#N)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000821207957 606300719 /nfs/dbraw/zinc/30/07/19/606300719.db2.gz ZVHHODAYAPRMJW-UHFFFAOYSA-N -1 3 346.398 2.716 20 30 EFEDHM C(=NN=c1[nH]c2ccccc2s1)c1ccc(-c2nnn[n-]2)s1 ZINC000819718480 606366929 /nfs/dbraw/zinc/36/69/29/606366929.db2.gz JAKVZXMTZSKALH-UHFFFAOYSA-N -1 3 327.398 2.984 20 30 EFEDHM COc1ccc2c(c1)OC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC000821849967 606429426 /nfs/dbraw/zinc/42/94/26/606429426.db2.gz UIYMEXBFTADLEW-GHXNOFRVSA-N -1 3 326.337 2.553 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)CCO2 ZINC000821850136 606836141 /nfs/dbraw/zinc/83/61/41/606836141.db2.gz XBSBKUREVMKRAM-UVTDQMKNSA-N -1 3 348.362 2.924 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000821850136 606836143 /nfs/dbraw/zinc/83/61/43/606836143.db2.gz XBSBKUREVMKRAM-UVTDQMKNSA-N -1 3 348.362 2.924 20 30 EFEDHM Fc1ccc(C=NOCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822767017 606838272 /nfs/dbraw/zinc/83/82/72/606838272.db2.gz SVLYUAPJUSPVJK-UHFFFAOYSA-N -1 3 341.346 2.825 20 30 EFEDHM Fc1ccc(C=NOCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822767017 606838274 /nfs/dbraw/zinc/83/82/74/606838274.db2.gz SVLYUAPJUSPVJK-UHFFFAOYSA-N -1 3 341.346 2.825 20 30 EFEDHM C#CCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000819693298 606952793 /nfs/dbraw/zinc/95/27/93/606952793.db2.gz POHYKLOWBPSOGO-UHFFFAOYSA-N -1 3 342.403 2.579 20 30 EFEDHM C#CCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000819693298 606952794 /nfs/dbraw/zinc/95/27/94/606952794.db2.gz POHYKLOWBPSOGO-UHFFFAOYSA-N -1 3 342.403 2.579 20 30 EFEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC000821588564 607097221 /nfs/dbraw/zinc/09/72/21/607097221.db2.gz YPDLUIYBSZIIFY-TWGQIWQCSA-N -1 3 337.358 2.968 20 30 EFEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC000821588564 607097223 /nfs/dbraw/zinc/09/72/23/607097223.db2.gz YPDLUIYBSZIIFY-TWGQIWQCSA-N -1 3 337.358 2.968 20 30 EFEDHM N#Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822829673 607126650 /nfs/dbraw/zinc/12/66/50/607126650.db2.gz CZNPSKFMXCLQMV-UHFFFAOYSA-N -1 3 340.774 2.883 20 30 EFEDHM N#Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822829673 607126652 /nfs/dbraw/zinc/12/66/52/607126652.db2.gz CZNPSKFMXCLQMV-UHFFFAOYSA-N -1 3 340.774 2.883 20 30 EFEDHM COc1ccc2c(c1)CC(N=Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826212061 607782475 /nfs/dbraw/zinc/78/24/75/607782475.db2.gz FPYSWZAZQFLJBW-UHFFFAOYSA-N -1 3 334.383 2.832 20 30 EFEDHM COc1ccc2c(c1)CC(N=Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826212061 607782476 /nfs/dbraw/zinc/78/24/76/607782476.db2.gz FPYSWZAZQFLJBW-UHFFFAOYSA-N -1 3 334.383 2.832 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(C)o1 ZINC000823909646 607817512 /nfs/dbraw/zinc/81/75/12/607817512.db2.gz MGBLJLHAZRHILI-UHFFFAOYSA-N -1 3 337.383 2.525 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(C)o1 ZINC000823909646 607817513 /nfs/dbraw/zinc/81/75/13/607817513.db2.gz MGBLJLHAZRHILI-UHFFFAOYSA-N -1 3 337.383 2.525 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826382059 607883678 /nfs/dbraw/zinc/88/36/78/607883678.db2.gz MTEYGMHJCMXBBY-JXMROGBWSA-N -1 3 331.335 2.665 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826382059 607883679 /nfs/dbraw/zinc/88/36/79/607883679.db2.gz MTEYGMHJCMXBBY-JXMROGBWSA-N -1 3 331.335 2.665 20 30 EFEDHM C#CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838648 607932416 /nfs/dbraw/zinc/93/24/16/607932416.db2.gz SIONNFICZBVGPQ-MRXNPFEDSA-N -1 3 332.367 2.753 20 30 EFEDHM C#CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838648 607932417 /nfs/dbraw/zinc/93/24/17/607932417.db2.gz SIONNFICZBVGPQ-MRXNPFEDSA-N -1 3 332.367 2.753 20 30 EFEDHM N#CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000826381976 607967409 /nfs/dbraw/zinc/96/74/09/607967409.db2.gz IIIZERVGTMWBBW-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000826381976 607967410 /nfs/dbraw/zinc/96/74/10/607967410.db2.gz IIIZERVGTMWBBW-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826382253 608000361 /nfs/dbraw/zinc/00/03/61/608000361.db2.gz VNGDOYFPDSJKQR-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826382253 608000362 /nfs/dbraw/zinc/00/03/62/608000362.db2.gz VNGDOYFPDSJKQR-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM C=CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000823903715 608217600 /nfs/dbraw/zinc/21/76/00/608217600.db2.gz IIVLXLYNUVLVDL-UHFFFAOYSA-N -1 3 334.836 2.867 20 30 EFEDHM C=CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000823903715 608217601 /nfs/dbraw/zinc/21/76/01/608217601.db2.gz IIVLXLYNUVLVDL-UHFFFAOYSA-N -1 3 334.836 2.867 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc(C)ccc2-c2nnn[n-]2)c1 ZINC000825039445 608288116 /nfs/dbraw/zinc/28/81/16/608288116.db2.gz RGXQIIHPUWELSH-AWEZNQCLSA-N -1 3 349.398 2.863 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc(C)ccc2-c2nn[n-]n2)c1 ZINC000825039445 608288118 /nfs/dbraw/zinc/28/81/18/608288118.db2.gz RGXQIIHPUWELSH-AWEZNQCLSA-N -1 3 349.398 2.863 20 30 EFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823837714 608332174 /nfs/dbraw/zinc/33/21/74/608332174.db2.gz GCSLILZDRJKTLS-INIZCTEOSA-N -1 3 332.363 2.576 20 30 EFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823837714 608332176 /nfs/dbraw/zinc/33/21/76/608332176.db2.gz GCSLILZDRJKTLS-INIZCTEOSA-N -1 3 332.363 2.576 20 30 EFEDHM C=CC[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823888445 608409316 /nfs/dbraw/zinc/40/93/16/608409316.db2.gz MNFRTSATKOORTC-CYBMUJFWSA-N -1 3 338.415 2.630 20 30 EFEDHM C=CC[C@@H](C)NC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823888445 608409317 /nfs/dbraw/zinc/40/93/17/608409317.db2.gz MNFRTSATKOORTC-CYBMUJFWSA-N -1 3 338.415 2.630 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2c[nH]c3ccccc23)n1 ZINC000826350224 608536540 /nfs/dbraw/zinc/53/65/40/608536540.db2.gz MRVKKMCTRANWIO-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2c[nH]c3ccccc23)n1 ZINC000826350224 608536541 /nfs/dbraw/zinc/53/65/41/608536541.db2.gz MRVKKMCTRANWIO-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(C#N)s1 ZINC000823953824 608538181 /nfs/dbraw/zinc/53/81/81/608538181.db2.gz RNAWAHFVNKYWLQ-UHFFFAOYSA-N -1 3 344.791 2.684 20 30 EFEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(C#N)s1 ZINC000823953824 608538183 /nfs/dbraw/zinc/53/81/83/608538183.db2.gz RNAWAHFVNKYWLQ-UHFFFAOYSA-N -1 3 344.791 2.684 20 30 EFEDHM Cc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1F ZINC000826266102 608539059 /nfs/dbraw/zinc/53/90/59/608539059.db2.gz CAIRIHVJNMEARX-UHFFFAOYSA-N -1 3 331.742 2.809 20 30 EFEDHM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1F ZINC000826266102 608539060 /nfs/dbraw/zinc/53/90/60/608539060.db2.gz CAIRIHVJNMEARX-UHFFFAOYSA-N -1 3 331.742 2.809 20 30 EFEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)s1)Cc1cccc(C#N)c1 ZINC000823914324 608631963 /nfs/dbraw/zinc/63/19/63/608631963.db2.gz FXBNNJGKFKBIPF-UHFFFAOYSA-N -1 3 336.424 2.988 20 30 EFEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)s1)Cc1cccc(C#N)c1 ZINC000823914324 608631964 /nfs/dbraw/zinc/63/19/64/608631964.db2.gz FXBNNJGKFKBIPF-UHFFFAOYSA-N -1 3 336.424 2.988 20 30 EFEDHM N#CCCN(Cc1ccco1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826381894 608652665 /nfs/dbraw/zinc/65/26/65/608652665.db2.gz DNCNAVYNXUTPNX-UHFFFAOYSA-N -1 3 326.335 2.515 20 30 EFEDHM N#CCCN(Cc1ccco1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826381894 608652666 /nfs/dbraw/zinc/65/26/66/608652666.db2.gz DNCNAVYNXUTPNX-UHFFFAOYSA-N -1 3 326.335 2.515 20 30 EFEDHM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000826403209 609271326 /nfs/dbraw/zinc/27/13/26/609271326.db2.gz MLNCCXTUJLMVIJ-VURMDHGXSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000826403209 609271328 /nfs/dbraw/zinc/27/13/28/609271328.db2.gz MLNCCXTUJLMVIJ-VURMDHGXSA-N -1 3 339.286 2.810 20 30 EFEDHM C[C@H](NCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1F ZINC000824604644 609342885 /nfs/dbraw/zinc/34/28/85/609342885.db2.gz CODQCGMNJGGIJP-JTQLQIEISA-N -1 3 340.337 2.867 20 30 EFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000824000122 609370519 /nfs/dbraw/zinc/37/05/19/609370519.db2.gz VKLUZCHFJSCIGU-SREVYHEPSA-N -1 3 339.380 2.783 20 30 EFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000824000122 609370522 /nfs/dbraw/zinc/37/05/22/609370522.db2.gz VKLUZCHFJSCIGU-SREVYHEPSA-N -1 3 339.380 2.783 20 30 EFEDHM CC(C)(C)n1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000824147654 609473538 /nfs/dbraw/zinc/47/35/38/609473538.db2.gz FUHLWPRWCKLBEL-UHFFFAOYSA-N -1 3 344.810 2.918 20 30 EFEDHM CC(C)(C)n1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000824147654 609473540 /nfs/dbraw/zinc/47/35/40/609473540.db2.gz FUHLWPRWCKLBEL-UHFFFAOYSA-N -1 3 344.810 2.918 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC[C@H]1C ZINC000823909459 609498691 /nfs/dbraw/zinc/49/86/91/609498691.db2.gz FFYGUYULFQIATK-CZUORRHYSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC[C@H]1C ZINC000823909459 609498694 /nfs/dbraw/zinc/49/86/94/609498694.db2.gz FFYGUYULFQIATK-CZUORRHYSA-N -1 3 325.416 2.818 20 30 EFEDHM N#Cc1ccc(CNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC000700798078 1250184188 /nfs/dbraw/zinc/18/41/88/1250184188.db2.gz FYCLIDRSPQUJJI-UHFFFAOYSA-N -1 3 331.169 2.956 20 30 EFEDHM CC(C)(C)OC(=O)[C@H](C([O-])=C(C#N)c1ccncn1)C1CCCC1 ZINC000850948661 1250705635 /nfs/dbraw/zinc/70/56/35/1250705635.db2.gz VPUWVBMFOFQWGU-HIFRSBDPSA-N -1 3 329.400 2.801 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)c3ccccc3[O-])[C@@H](C)C2)C1 ZINC000945508199 1253409169 /nfs/dbraw/zinc/40/91/69/1253409169.db2.gz FXHIMDZNQSEMLS-HOCLYGCPSA-N -1 3 342.439 2.715 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC000995794263 1254705442 /nfs/dbraw/zinc/70/54/42/1254705442.db2.gz KSCDNUIQVOLYGS-KBMXLJTQSA-N -1 3 342.439 2.856 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC000995796143 1254706294 /nfs/dbraw/zinc/70/62/94/1254706294.db2.gz UQMVTHRRIYGFIL-XXLXZOJFSA-N -1 3 342.439 2.856 20 30 EFEDHM C[C@H](Nc1ccc(C#N)nc1)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065657998 1265914842 /nfs/dbraw/zinc/91/48/42/1265914842.db2.gz YLYSOGODZVLMGI-KBPBESRZSA-N -1 3 336.395 2.622 20 30 EFEDHM C=CCCC1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107495961 1255978399 /nfs/dbraw/zinc/97/83/99/1255978399.db2.gz OPKCVMRFNCXULY-SNAWJCMRSA-N -1 3 346.387 2.526 20 30 EFEDHM C[C@H](CNc1nc(Cl)c(C#N)s1)NC(=O)c1ccccc1[O-] ZINC001107627125 1256325018 /nfs/dbraw/zinc/32/50/18/1256325018.db2.gz PGCQZFQZRNKLGK-MRVPVSSYSA-N -1 3 336.804 2.604 20 30 EFEDHM C[C@]1(CS(=O)(=O)[N-][C@H](C#N)C2CCCCC2)CC1(Cl)Cl ZINC000903102247 1259780896 /nfs/dbraw/zinc/78/08/96/1259780896.db2.gz MMRFRXNZDCHASZ-VXGBXAGGSA-N -1 3 339.288 2.962 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)cc1 ZINC000131660334 1260590823 /nfs/dbraw/zinc/59/08/23/1260590823.db2.gz UWKXATQCYDMTSI-HNNXBMFYSA-N -1 3 330.290 2.935 20 30 EFEDHM C=CCC(C)(C)C(=O)NCC1(NC(=O)c2ccccc2[O-])CCC1 ZINC001063058225 1262242493 /nfs/dbraw/zinc/24/24/93/1262242493.db2.gz HQQOAAXFFKRJJA-UHFFFAOYSA-N -1 3 330.428 2.763 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)cc1 ZINC000131780894 1262758756 /nfs/dbraw/zinc/75/87/56/1262758756.db2.gz LSRWVQOIIYFMQZ-HNNXBMFYSA-N -1 3 334.335 2.533 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCC[C@@H](NC(=O)c3ccccc3[O-])C2)nc1 ZINC001061047942 1262820426 /nfs/dbraw/zinc/82/04/26/1262820426.db2.gz NSKOSBPBNDTYQW-LSDHHAIUSA-N -1 3 336.395 2.812 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCC[C@@H](NC(=O)c3ccccc3[O-])C2)cn1 ZINC001061048305 1262827235 /nfs/dbraw/zinc/82/72/35/1262827235.db2.gz SLTCWOCFLSTHNC-UONOGXRCSA-N -1 3 336.395 2.812 20 30 EFEDHM C#CCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000730982611 1264504672 /nfs/dbraw/zinc/50/46/72/1264504672.db2.gz IJKGXVPUGALSKL-UHFFFAOYSA-N -1 3 349.390 2.859 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1 ZINC000730996215 1264508368 /nfs/dbraw/zinc/50/83/68/1264508368.db2.gz IIPWGVGRUFVENL-UHFFFAOYSA-N -1 3 331.393 2.646 20 30 EFEDHM C=C(C)CCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066225284 1266756659 /nfs/dbraw/zinc/75/66/59/1266756659.db2.gz ZZFRJAMCEFATPX-HNNXBMFYSA-N -1 3 330.428 2.859 20 30 EFEDHM C#CCCCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066068721 1266542252 /nfs/dbraw/zinc/54/22/52/1266542252.db2.gz JVBBHAQZVWWIAA-INIZCTEOSA-N -1 3 342.439 2.697 20 30 EFEDHM N#Cc1ccc([C@@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C(N)=O)cc1 ZINC000734570234 1267018273 /nfs/dbraw/zinc/01/82/73/1267018273.db2.gz NBNSWTRELQBPFJ-LLVKDONJSA-N -1 3 338.150 2.577 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2cccc(OC(C)C)c2)c1[O-] ZINC000734978946 1267178790 /nfs/dbraw/zinc/17/87/90/1267178790.db2.gz GIHBKVGEFRKRBF-DZZWEGAPSA-N -1 3 344.411 2.528 20 30 EFEDHM N#Cc1c(F)cccc1N1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001061506625 1267189808 /nfs/dbraw/zinc/18/98/08/1267189808.db2.gz MMIHZVVPDFXIJM-ZDUSSCGKSA-N -1 3 339.370 2.659 20 30 EFEDHM CN(C[C@H]1CCN1Cc1ccccc1C#N)C(=O)c1ccccc1[O-] ZINC001085488712 1267629823 /nfs/dbraw/zinc/62/98/23/1267629823.db2.gz FUUILEQOMAZIKU-QGZVFWFLSA-N -1 3 335.407 2.610 20 30 EFEDHM CN(C[C@@H]1CCN1Cc1ccccc1C#N)C(=O)c1ccccc1[O-] ZINC001085488711 1267630219 /nfs/dbraw/zinc/63/02/19/1267630219.db2.gz FUUILEQOMAZIKU-KRWDZBQOSA-N -1 3 335.407 2.610 20 30 EFEDHM CCCCCCCCC(=O)N1CCC[C@H](NC(=O)c2cn[n-]n2)CC1 ZINC001066301920 1268359679 /nfs/dbraw/zinc/35/96/79/1268359679.db2.gz WRXGDYNUEZUMFV-HNNXBMFYSA-N -1 3 349.479 2.666 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000739366865 1268679367 /nfs/dbraw/zinc/67/93/67/1268679367.db2.gz LSDCQJMOZMWBLD-XOKHGSTOSA-N -1 3 344.411 2.565 20 30 EFEDHM CCN(C(=O)c1ccccc1[O-])[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033754565 1270084802 /nfs/dbraw/zinc/08/48/02/1270084802.db2.gz XQXCAVKEZQCAAO-LJQANCHMSA-N -1 3 348.446 2.980 20 30 EFEDHM CC#CCCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066420204 1270219021 /nfs/dbraw/zinc/21/90/21/1270219021.db2.gz NEFFBRDPWBYEJY-INIZCTEOSA-N -1 3 342.439 2.697 20 30 EFEDHM CC(C)C#CC(=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001078948936 1270248462 /nfs/dbraw/zinc/24/84/62/1270248462.db2.gz SVXFVCUESDQZND-INIZCTEOSA-N -1 3 342.439 2.505 20 30 EFEDHM CC(=O)N1CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000743333916 1270540549 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C[C@@]1(C#N)CCN(Cc2ccc(I)cc2[O-])C1 ZINC001232978192 1312824064 /nfs/dbraw/zinc/82/40/64/1312824064.db2.gz ZNCJDQIWDSPLTL-ZDUSSCGKSA-N -1 3 342.180 2.732 20 30 EFEDHM C#C[C@H]1CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232980283 1312825131 /nfs/dbraw/zinc/82/51/31/1312825131.db2.gz ONQMRNHLDWEAQY-NSHDSACASA-N -1 3 341.192 2.842 20 30 EFEDHM Cc1nc([N-]C(=O)c2ncc(C#N)cc2Cl)nn1-c1ccccc1 ZINC001273528367 1291016344 /nfs/dbraw/zinc/01/63/44/1291016344.db2.gz INNSBIKARIOOAV-UHFFFAOYSA-N -1 3 338.758 2.748 20 30 EFEDHM C=CCOCc1ncn2c1CN(Cc1cccc([O-])c1F)CCC2 ZINC001233051470 1312844260 /nfs/dbraw/zinc/84/42/60/1312844260.db2.gz NPJLKWXMEUFXSS-UHFFFAOYSA-N -1 3 331.391 2.836 20 30 EFEDHM N#Cc1ccc(N2CCCN(Cc3ccc(F)c(F)c3[O-])CC2)nc1 ZINC001233077457 1312850186 /nfs/dbraw/zinc/85/01/86/1312850186.db2.gz PKAJXMDUZMJXEP-UHFFFAOYSA-N -1 3 344.365 2.649 20 30 EFEDHM C=CCCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795781952 1291416312 /nfs/dbraw/zinc/41/63/12/1291416312.db2.gz NUXBNPFJMVPPNF-UHFFFAOYSA-N -1 3 337.319 2.810 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccn(-c3ccc4ccccn43)n2)ccc1[O-] ZINC001188929461 1291505026 /nfs/dbraw/zinc/50/50/26/1291505026.db2.gz BOGQQIAIOFBLJS-UHFFFAOYSA-N -1 3 343.346 2.955 20 30 EFEDHM CN(CC#Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001188927129 1291505242 /nfs/dbraw/zinc/50/52/42/1291505242.db2.gz VCKKFJIPDQYCKS-GOSISDBHSA-N -1 3 334.419 2.590 20 30 EFEDHM O=C(Nc1cccc(OC2CCCC2)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878161805 1291526880 /nfs/dbraw/zinc/52/68/80/1291526880.db2.gz CRVDJKZEUBTQAZ-OAHLLOKOSA-N -1 3 333.388 2.510 20 30 EFEDHM COc1cc([O-])c(CN2CCC[C@H](C#N)C2)cc1Br ZINC001233140650 1312865516 /nfs/dbraw/zinc/86/55/16/1312865516.db2.gz QBPGZVMLYZSJOR-SNVBAGLBSA-N -1 3 325.206 2.899 20 30 EFEDHM Cc1ccc(C/N=C/c2cc(Br)ccc2[O-])c(=O)n1C ZINC000775235277 1291670441 /nfs/dbraw/zinc/67/04/41/1291670441.db2.gz SOKWFLXHSHCOAS-RQZCQDPDSA-N -1 3 335.201 2.781 20 30 EFEDHM Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878858387 1291827214 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CC(C)[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)c1ccccn1 ZINC001190664782 1292251802 /nfs/dbraw/zinc/25/18/02/1292251802.db2.gz HSSXAAFYZUVUEM-INIZCTEOSA-N -1 3 333.388 2.768 20 30 EFEDHM COC1CCC(CC[N-]S(=O)(=O)c2cc(C#N)ccc2F)CC1 ZINC001190670232 1292255108 /nfs/dbraw/zinc/25/51/08/1292255108.db2.gz HUYQSCOVQZHOBC-UHFFFAOYSA-N -1 3 340.420 2.571 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2csc(Cl)c2)c1 ZINC001190670406 1292255235 /nfs/dbraw/zinc/25/52/35/1292255235.db2.gz JJAVCXVYYHWQNR-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190676492 1292282310 /nfs/dbraw/zinc/28/23/10/1292282310.db2.gz DPYRLNULBSYZNW-GFCCVEGCSA-N -1 3 348.399 2.615 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(Cc3cccc(F)c3)CC2)c1 ZINC001190677020 1292282465 /nfs/dbraw/zinc/28/24/65/1292282465.db2.gz GYIWLLJKYBNEDI-UHFFFAOYSA-N -1 3 348.374 2.890 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cnc(C(=O)OCC)c(Cl)c2)CC1 ZINC001190774061 1292308628 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COc1cccc(CN2CCN(Cc3ccc(C#N)cc3[O-])CC2)c1 ZINC001233387020 1312920397 /nfs/dbraw/zinc/92/03/97/1312920397.db2.gz QRNFKURQRNUEAA-UHFFFAOYSA-N -1 3 337.423 2.590 20 30 EFEDHM CCOC(=O)c1ncc(NC(=O)c2cccc(C(C)(C)C#N)c2)[n-]1 ZINC001190920519 1292396542 /nfs/dbraw/zinc/39/65/42/1292396542.db2.gz XOTQXLQVWAXKEK-UHFFFAOYSA-N -1 3 326.356 2.640 20 30 EFEDHM CCOC(=O)c1nc(NC(=O)c2cccc(C(C)(C)C#N)c2)c[n-]1 ZINC001190920519 1292396555 /nfs/dbraw/zinc/39/65/55/1292396555.db2.gz XOTQXLQVWAXKEK-UHFFFAOYSA-N -1 3 326.356 2.640 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)cn1 ZINC001191866446 1292699998 /nfs/dbraw/zinc/69/99/98/1292699998.db2.gz SBSWOHCGFMMQOI-UHFFFAOYSA-N -1 3 325.752 2.688 20 30 EFEDHM COc1ccc(C#N)cc1[N-]C(=O)c1nc(Cc2ccccc2)no1 ZINC001192276736 1292852045 /nfs/dbraw/zinc/85/20/45/1292852045.db2.gz QHOCWKDHQIVUKJ-UHFFFAOYSA-N -1 3 334.335 2.793 20 30 EFEDHM COC(=O)Cc1ccc([O-])c(NC(=O)Nc2cccc(C#N)c2)c1 ZINC001202787100 1312974234 /nfs/dbraw/zinc/97/42/34/1312974234.db2.gz 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Cc1cc(C(=O)[O-])ccc1CN1CCN(c2cccc(C#N)c2)CC1 ZINC001238146789 1313770448 /nfs/dbraw/zinc/77/04/48/1313770448.db2.gz YXRZYOIMESWYMV-UHFFFAOYSA-N -1 3 335.407 2.887 20 30 EFEDHM CC(C)(C)OC(=O)N1CC(CCOC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000859642100 1301518161 /nfs/dbraw/zinc/51/81/61/1301518161.db2.gz ODZMCOXHCCCSHJ-UHFFFAOYSA-N -1 3 346.383 2.678 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn(CC)nc1C ZINC000860472023 1301817686 /nfs/dbraw/zinc/81/76/86/1301817686.db2.gz ZOOZBMLBHUIAGM-ZDUSSCGKSA-N -1 3 340.383 2.571 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC000964727111 1302271040 /nfs/dbraw/zinc/27/10/40/1302271040.db2.gz CFRSYPUIYSLFAS-CQSZACIVSA-N -1 3 330.428 2.715 20 30 EFEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(N(C)CCC#N)cc2)n1 ZINC000862432624 1302381916 /nfs/dbraw/zinc/38/19/16/1302381916.db2.gz LDHRBWDNMYRTPR-UHFFFAOYSA-N -1 3 339.443 2.865 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3[O-])C2)C1 ZINC001018399058 1313844894 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Cn1cnc(C#N)c1[N-]S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC001260819247 1316371787 /nfs/dbraw/zinc/37/17/87/1316371787.db2.gz VIXBUJRVLJFHNP-UHFFFAOYSA-N -1 3 345.211 2.540 20 30 EFEDHM Nc1ncc(C(=O)N([O-])Cc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000900092145 1307649059 /nfs/dbraw/zinc/64/90/59/1307649059.db2.gz ZDSMXIJNKIUNFD-UHFFFAOYSA-N -1 3 338.323 2.757 20 30 EFEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800531986 1308067033 /nfs/dbraw/zinc/06/70/33/1308067033.db2.gz NJXULVSPQVGSAP-VIFPVBQESA-N -1 3 325.303 2.640 20 30 EFEDHM N#Cc1ccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000800796287 1308436365 /nfs/dbraw/zinc/43/63/65/1308436365.db2.gz MNCVRCCADBFFEP-XNTDXEJSSA-N -1 3 337.766 2.612 20 30 EFEDHM O=C([C@H]1CCN(Cc2ccccc2)C1=O)N([O-])Cc1ccc(F)cc1 ZINC000900677992 1308513932 /nfs/dbraw/zinc/51/39/32/1308513932.db2.gz DZVLVHVVBPWACV-KRWDZBQOSA-N -1 3 342.370 2.592 20 30 EFEDHM CCCCN([O-])C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC000900678431 1308515193 /nfs/dbraw/zinc/51/51/93/1308515193.db2.gz HUWPJBYNQYAEKY-UHFFFAOYSA-N -1 3 335.331 2.989 20 30 EFEDHM CCCCN([O-])C(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000900682708 1308522454 /nfs/dbraw/zinc/52/24/54/1308522454.db2.gz PEHVXMQDVWBXRT-NSHDSACASA-N -1 3 341.205 2.893 20 30 EFEDHM CC(C)(C)N(c1ccc([O-])c(C#N)c1)S(=O)(=O)c1ccc(N)cc1 ZINC001210529048 1314347506 /nfs/dbraw/zinc/34/75/06/1314347506.db2.gz GTWGQMJQNFETEM-UHFFFAOYSA-N -1 3 345.424 2.840 20 30 EFEDHM Cc1ccc(Nc2ccc(S(=O)(=O)N(C)C)cc2[O-])c(C#N)c1 ZINC001210569500 1314354854 /nfs/dbraw/zinc/35/48/54/1314354854.db2.gz NSYVCEAWPWANCE-UHFFFAOYSA-N -1 3 331.397 2.566 20 30 EFEDHM COCCn1ccc(C(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC000901371352 1310253407 /nfs/dbraw/zinc/25/34/07/1310253407.db2.gz SCYMVFWLWOTOKQ-UHFFFAOYSA-N -1 3 325.368 2.714 20 30 EFEDHM Cn1nc(C2CC2)nc1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371516 1310254083 /nfs/dbraw/zinc/25/40/83/1310254083.db2.gz UVNGXLABLXHMIZ-UHFFFAOYSA-N -1 3 336.395 2.806 20 30 EFEDHM C[C@H](NC(=O)c1ccoc1)C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371707 1310254344 /nfs/dbraw/zinc/25/43/44/1310254344.db2.gz VOAKIMJOYDUGDE-ZDUSSCGKSA-N -1 3 338.363 2.969 20 30 EFEDHM Cn1ncc([N+](=O)[O-])c1C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371608 1310254511 /nfs/dbraw/zinc/25/45/11/1310254511.db2.gz WGEQLCQQQKFKAX-UHFFFAOYSA-N -1 3 326.312 2.513 20 30 EFEDHM Cc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1S(C)(=O)=O ZINC000901374527 1310262201 /nfs/dbraw/zinc/26/22/01/1310262201.db2.gz LXSSIAPQQFQBRH-UHFFFAOYSA-N -1 3 337.372 2.569 20 30 EFEDHM O=C(Cc1ccc(-n2cccn2)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901374907 1310264341 /nfs/dbraw/zinc/26/43/41/1310264341.db2.gz WHTGGGHLESZNRE-UHFFFAOYSA-N -1 3 325.343 2.972 20 30 EFEDHM C=C1CCC(C(=O)N2CC[C@@H](NC(=O)c3ccccc3[O-])[C@@H]2C)CC1 ZINC001012042825 1310696293 /nfs/dbraw/zinc/69/62/93/1310696293.db2.gz PQDCJWBMZWDSHP-WMLDXEAASA-N -1 3 342.439 2.858 20 30 EFEDHM C=CCOC[C@@H](NCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000901811562 1311056879 /nfs/dbraw/zinc/05/68/79/1311056879.db2.gz UWGQZZQYVTZROZ-GFCCVEGCSA-N -1 3 348.624 2.848 20 30 EFEDHM C#CCOc1ccc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000901833528 1311087024 /nfs/dbraw/zinc/08/70/24/1311087024.db2.gz ZXMBAEXZAOXTAX-UHFFFAOYSA-N -1 3 339.391 2.794 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)[C@H](C)N3C)n1 ZINC000750677309 1311088392 /nfs/dbraw/zinc/08/83/92/1311088392.db2.gz FOTKOGCGRBLWDG-CMPLNLGQSA-N -1 3 340.408 2.718 20 30 EFEDHM C=C1CCC(C(=O)N2C[C@H](NC(=O)c3ccccc3[O-])C[C@H]2C)CC1 ZINC001014025325 1311304755 /nfs/dbraw/zinc/30/47/55/1311304755.db2.gz LFHPHZKPPAROLR-GDBMZVCRSA-N -1 3 342.439 2.858 20 30 EFEDHM CCOC(=O)[C@H]1C[C@@H](O/C(=N\[O-])c2ccccn2)c2ccccc2O1 ZINC001223982092 1311328724 /nfs/dbraw/zinc/32/87/24/1311328724.db2.gz RUZBOSZCDGFESH-HGWRPWPUSA-N -1 3 342.351 2.690 20 30 EFEDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000782516984 1311367501 /nfs/dbraw/zinc/36/75/01/1311367501.db2.gz FRZFJGDNIOAGLQ-NSHDSACASA-N -1 3 338.326 2.953 20 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1312010364 /nfs/dbraw/zinc/01/03/64/1312010364.db2.gz YRHJDSARMCZTQB-MRXNPFEDSA-N -1 3 346.455 2.712 20 30 EFEDHM C=C(C)C(=O)OC[C@@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229100640 1312048082 /nfs/dbraw/zinc/04/80/82/1312048082.db2.gz SYIBXODCVJYDKM-MRVPVSSYSA-N -1 3 331.162 2.747 20 30 EFEDHM C=C(C)C(=O)OC[C@H](C)Oc1cc(O)cc([O-])c1Br ZINC001229100641 1312048215 /nfs/dbraw/zinc/04/82/15/1312048215.db2.gz SYIBXODCVJYDKM-QMMMGPOBSA-N -1 3 331.162 2.747 20 30 EFEDHM C=CCOc1ccccc1[C@@H](C)Oc1[n-]c(=O)ncc1C(=O)OC ZINC001229870536 1312152343 /nfs/dbraw/zinc/15/23/43/1312152343.db2.gz KDWIGMUYNWNNQF-LLVKDONJSA-N -1 3 330.340 2.674 20 30 EFEDHM C=C[C@H](Oc1nc(C(=O)c2ccc(SC)cc2)c(C)[n-]1)C(=O)OC ZINC001230136843 1312193624 /nfs/dbraw/zinc/19/36/24/1312193624.db2.gz VKZOCMRNIRXGCO-ZDUSSCGKSA-N -1 3 346.408 2.777 20 30 EFEDHM CC#C[C@H](CC)Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230186550 1312201180 /nfs/dbraw/zinc/20/11/80/1312201180.db2.gz PIBFCIUDPZGXPR-INIZCTEOSA-N -1 3 337.423 2.921 20 30 EFEDHM C#C[C@@H](Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2)C(C)C ZINC001230186691 1312201644 /nfs/dbraw/zinc/20/16/44/1312201644.db2.gz QMQMLTMBPCVREF-GOSISDBHSA-N -1 3 337.423 2.777 20 30 EFEDHM CC(C)[C@@H](C#N)c1ccc(-n2c3[n-]c(=O)sc3c(=O)nc2N)cc1 ZINC001163048369 1312232124 /nfs/dbraw/zinc/23/21/24/1312232124.db2.gz LUIWDZYCUYYUEE-LLVKDONJSA-N -1 3 341.396 2.636 20 30 EFEDHM C=C(C)CCc1ccccc1-n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001163048559 1312232138 /nfs/dbraw/zinc/23/21/38/1312232138.db2.gz RWSOPSFVQXEHLH-UHFFFAOYSA-N -1 3 328.397 2.881 20 30 EFEDHM N#CCc1cc2ccccc2c(-n2c3[n-]c(=O)sc3c(=O)nc2N)c1 ZINC001163050887 1312232443 /nfs/dbraw/zinc/23/24/43/1312232443.db2.gz XIDHXJPKSILJJB-UHFFFAOYSA-N -1 3 349.375 2.592 20 30 EFEDHM C[C@]1(CS(=O)(=O)[N-]C2(C#N)CCCCC2)CC1(Cl)Cl ZINC000903101806 1312355089 /nfs/dbraw/zinc/35/50/89/1312355089.db2.gz MXFDOBYUYVUJTN-SNVBAGLBSA-N -1 3 325.261 2.716 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000903105865 1312359937 /nfs/dbraw/zinc/35/99/37/1312359937.db2.gz IDEKIDSHTKGRBB-GHMZBOCLSA-N -1 3 327.277 2.818 20 30 EFEDHM Nc1nccc(F)c1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001163766147 1312380897 /nfs/dbraw/zinc/38/08/97/1312380897.db2.gz UZUILEXLOQSMJH-UHFFFAOYSA-N -1 3 330.241 2.949 20 30 EFEDHM ON=C(Nc1ccc(=S)[n-]n1)c1ccc(OC(F)(F)F)cc1 ZINC001163766171 1312380932 /nfs/dbraw/zinc/38/09/32/1312380932.db2.gz VXLDGSDVTYUUAV-UHFFFAOYSA-N -1 3 330.291 2.912 20 30 EFEDHM N#CCc1ncc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cn1 ZINC001163765932 1312380998 /nfs/dbraw/zinc/38/09/98/1312380998.db2.gz PESOQYPUIOLEST-UHFFFAOYSA-N -1 3 337.261 2.689 20 30 EFEDHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC1=C(CC)O[C@@H](C)C1=O ZINC001231090447 1312428493 /nfs/dbraw/zinc/42/84/93/1312428493.db2.gz IGNHBMZBVSZXQA-ZETCQYMHSA-N -1 3 341.747 2.606 20 30 EFEDHM C#C[C@@H](Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC)c1ccncc1 ZINC001231089708 1312428592 /nfs/dbraw/zinc/42/85/92/1312428592.db2.gz WRQHBGUTSWJITL-LLVKDONJSA-N -1 3 332.743 2.766 20 30 EFEDHM C#CCN1CCN(Cc2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC001231678206 1312548341 /nfs/dbraw/zinc/54/83/41/1312548341.db2.gz DSTOPHLDWFROJY-UHFFFAOYSA-N -1 3 334.419 2.803 20 30 EFEDHM CCOC(Cc1c(Nc2cc(C#N)ccc2F)nc[n-]c1=O)OCC ZINC001214592664 1314713079 /nfs/dbraw/zinc/71/30/79/1314713079.db2.gz JDEIALFCTCRADE-UHFFFAOYSA-N -1 3 346.362 2.878 20 30 EFEDHM C=CCCNC(=S)Nc1ccc(I)cc1[O-] ZINC001247655393 1314816206 /nfs/dbraw/zinc/81/62/06/1314816206.db2.gz LPNCXUNDOGAEPG-UHFFFAOYSA-N -1 3 348.209 2.859 20 30 EFEDHM Cc1cc(C#N)cc(C)c1Nc1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001215648336 1314864039 /nfs/dbraw/zinc/86/40/39/1314864039.db2.gz SQJMJHCXOUSJHI-UHFFFAOYSA-N -1 3 345.424 2.875 20 30 EFEDHM Cc1csc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1C#N ZINC001217531789 1315082695 /nfs/dbraw/zinc/08/26/95/1315082695.db2.gz CBLPKWMRQQYYLC-UHFFFAOYSA-N -1 3 339.384 2.676 20 30 EFEDHM Cc1csc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1C#N ZINC001217531789 1315082699 /nfs/dbraw/zinc/08/26/99/1315082699.db2.gz CBLPKWMRQQYYLC-UHFFFAOYSA-N -1 3 339.384 2.676 20 30 EFEDHM C=CCCN1Cc2ccccc2C[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001054038362 1315203433 /nfs/dbraw/zinc/20/34/33/1315203433.db2.gz BDLJAAGRIQXINJ-QGZVFWFLSA-N -1 3 337.423 2.520 20 30 EFEDHM C=C(Cl)CN1CC[C@H](C2CCN(C(=O)c3ncccc3[O-])CC2)C1 ZINC001039126534 1315506855 /nfs/dbraw/zinc/50/68/55/1315506855.db2.gz HRMVAFLXCNCYRA-HNNXBMFYSA-N -1 3 349.862 2.714 20 30 EFEDHM CC(C)CN1c2ccccc2C(=N[N-]c2nncc(N)c2Cl)C1=O ZINC001253086592 1315564884 /nfs/dbraw/zinc/56/48/84/1315564884.db2.gz PDYQXQJQZUGWPI-UHFFFAOYSA-N -1 3 344.806 2.531 20 30 EFEDHM C=CCCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001056238279 1315611536 /nfs/dbraw/zinc/61/15/36/1315611536.db2.gz SSLODGWCYQWDSY-IRXDYDNUSA-N -1 3 342.439 2.954 20 30 EFEDHM C=CCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001056238056 1315611585 /nfs/dbraw/zinc/61/15/85/1315611585.db2.gz RGPPSERESCWFQN-CVEARBPZSA-N -1 3 328.412 2.564 20 30 EFEDHM C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001052034488 1315902035 /nfs/dbraw/zinc/90/20/35/1315902035.db2.gz QZRUISLYBLGJBF-LSDHHAIUSA-N -1 3 330.428 2.573 20 30 EFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC001256694002 1315983079 /nfs/dbraw/zinc/98/30/79/1315983079.db2.gz MXCJUNKNECMAEN-UHFFFAOYSA-N -1 3 330.287 2.649 20 30 EFEDHM CC(=O)c1ccnc(Cl)c1[N-]S(=O)(=O)c1ccccc1C#N ZINC001258201812 1316131054 /nfs/dbraw/zinc/13/10/54/1316131054.db2.gz LRTNJEIXZUCEAQ-UHFFFAOYSA-N -1 3 335.772 2.610 20 30 EFEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cnc1F ZINC001258214867 1316132091 /nfs/dbraw/zinc/13/20/91/1316132091.db2.gz TZICJBPMYJFBEN-UHFFFAOYSA-N -1 3 345.277 2.912 20 30 EFEDHM CC(C)C[C@](C)(C#N)[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC001258979684 1316198706 /nfs/dbraw/zinc/19/87/06/1316198706.db2.gz UBZONPIELLVRMS-XKQJLSEDSA-N -1 3 340.489 2.630 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(F)c1F ZINC001259090607 1316207548 /nfs/dbraw/zinc/20/75/48/1316207548.db2.gz HLASCCPPSMJJEN-UHFFFAOYSA-N -1 3 330.262 2.915 20 30 EFEDHM COc1ccc(Cl)cc1CC/N=C/c1c([O-])c(C)ncc1CO ZINC001318531090 1328631574 /nfs/dbraw/zinc/63/15/74/1328631574.db2.gz OTLDXPLQGJEUHC-DJKKODMXSA-N -1 3 334.803 2.912 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(F)c1F ZINC001259356691 1316232254 /nfs/dbraw/zinc/23/22/54/1316232254.db2.gz SNVRMWRGZVLRHA-UHFFFAOYSA-N -1 3 336.319 2.572 20 30 EFEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccccc1 ZINC001259390568 1316236184 /nfs/dbraw/zinc/23/61/84/1316236184.db2.gz LZGZKURKFQAACZ-CQSZACIVSA-N -1 3 329.406 2.839 20 30 EFEDHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(F)c1 ZINC001259417867 1316240167 /nfs/dbraw/zinc/24/01/67/1316240167.db2.gz UDOSZIDAZXBWTR-UHFFFAOYSA-N -1 3 336.319 2.840 20 30 EFEDHM N#Cc1csc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC001259473881 1316248353 /nfs/dbraw/zinc/24/83/53/1316248353.db2.gz QPBXNYYERZMTIF-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM N#Cc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC001259513790 1316254142 /nfs/dbraw/zinc/25/41/42/1316254142.db2.gz HMJGTRXYZLASJV-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#Cc1ccc(Br)c([N-]S(=O)(=O)c2cccnc2)c1 ZINC001259609103 1316261458 /nfs/dbraw/zinc/26/14/58/1316261458.db2.gz NZQFOBOIEZDTGL-UHFFFAOYSA-N -1 3 338.186 2.517 20 30 EFEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)CC1CCCCC1)[C@@H](C)CC ZINC001259621274 1316263282 /nfs/dbraw/zinc/26/32/82/1316263282.db2.gz WGDHHJBAYSAJJI-ZFWWWQNUSA-N -1 3 331.478 2.630 20 30 EFEDHM COC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(C)c2)ccc1C#N ZINC001259749865 1316272197 /nfs/dbraw/zinc/27/21/97/1316272197.db2.gz VFRFORNWNSOUBK-UHFFFAOYSA-N -1 3 344.392 2.595 20 30 EFEDHM COc1ccc(CS(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)cc1 ZINC001259893293 1316293941 /nfs/dbraw/zinc/29/39/41/1316293941.db2.gz TYOORDQAMGRVMS-UHFFFAOYSA-N -1 3 337.788 2.557 20 30 EFEDHM CC(=O)/C=C(/C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC001259984828 1316303632 /nfs/dbraw/zinc/30/36/32/1316303632.db2.gz IGOKRNKJGOBZCP-VURMDHGXSA-N -1 3 342.467 2.951 20 30 EFEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)Cc2ccccc2C)c1 ZINC001260022608 1316307762 /nfs/dbraw/zinc/30/77/62/1316307762.db2.gz FFRUDAQBMTZFLD-UHFFFAOYSA-N -1 3 344.392 2.595 20 30 EFEDHM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001260382048 1316336121 /nfs/dbraw/zinc/33/61/21/1316336121.db2.gz OZBLGTMXNDAGBT-GFCCVEGCSA-N -1 3 349.225 2.805 20 30 EFEDHM C=CCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001073338646 1316449614 /nfs/dbraw/zinc/44/96/14/1316449614.db2.gz LGKXNRSYTOROPX-MRXNPFEDSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001073448275 1316458577 /nfs/dbraw/zinc/45/85/77/1316458577.db2.gz PGOAHCZEYMGWQL-MRXNPFEDSA-N -1 3 344.455 2.961 20 30 EFEDHM C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001073996324 1316487145 /nfs/dbraw/zinc/48/71/45/1316487145.db2.gz JLQJDFOAVPETFP-GOEBONIOSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](CC(C)(C)C)C1 ZINC001262957052 1316508513 /nfs/dbraw/zinc/50/85/13/1316508513.db2.gz HLFWEATWGRZYRZ-ZDUSSCGKSA-N -1 3 342.447 2.889 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@H]1CC[C@H](SCC)C1 ZINC001262962688 1316509095 /nfs/dbraw/zinc/50/90/95/1316509095.db2.gz UEGRKYWOQYVAQD-RYUDHWBXSA-N -1 3 349.460 2.935 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H]1CCC ZINC001262987887 1316513108 /nfs/dbraw/zinc/51/31/08/1316513108.db2.gz IEQDHEXUUIZZLA-ZDUSSCGKSA-N -1 3 328.420 2.704 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C)C[C@H]1C ZINC001263285328 1316526732 /nfs/dbraw/zinc/52/67/32/1316526732.db2.gz DRCNAZXTQAPRAR-CHWSQXEVSA-N -1 3 342.447 2.950 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001263323593 1316530571 /nfs/dbraw/zinc/53/05/71/1316530571.db2.gz USIZDRIUEXNHPV-GFCCVEGCSA-N -1 3 341.371 2.802 20 30 EFEDHM C[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C#CC(C)(C)C ZINC001074830490 1316535453 /nfs/dbraw/zinc/53/54/53/1316535453.db2.gz HOUAHMOZKQLURH-HUUCEWRRSA-N -1 3 342.439 2.551 20 30 EFEDHM C[C@H]1C[C@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C#CC(C)(C)C ZINC001074830491 1316535545 /nfs/dbraw/zinc/53/55/45/1316535545.db2.gz HOUAHMOZKQLURH-LSDHHAIUSA-N -1 3 342.439 2.551 20 30 EFEDHM N#Cc1cccnc1N[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001041546900 1316585152 /nfs/dbraw/zinc/58/51/52/1316585152.db2.gz GQHWNTGQLHHCIK-IAGOWNOFSA-N -1 3 348.406 2.812 20 30 EFEDHM CC(=NNC(=S)NCc1cccnc1)c1cc(Cl)ccc1[O-] ZINC001317703249 1328308449 /nfs/dbraw/zinc/30/84/49/1328308449.db2.gz FUXAJOLJYYWCFK-UHFFFAOYSA-N -1 3 334.832 2.829 20 30 EFEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1N1CCCC1=O ZINC001317756054 1328354276 /nfs/dbraw/zinc/35/42/76/1328354276.db2.gz FRNHAKNJPKOSEH-UHFFFAOYSA-N -1 3 326.352 2.989 20 30 EFEDHM COC(=O)C[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccc(C)cc1 ZINC001317817852 1328397626 /nfs/dbraw/zinc/39/76/26/1328397626.db2.gz BAWGNVJWVJTSBN-HQOKVJKCSA-N -1 3 342.395 2.620 20 30 EFEDHM CC(=NNCC1CCOCC1)c1ccc(Br)cc1[O-] ZINC001322489470 1329462261 /nfs/dbraw/zinc/46/22/61/1329462261.db2.gz VWEBJJYDKIRJCR-UHFFFAOYSA-N -1 3 327.222 2.895 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)C(C)(C)C)ccc1F ZINC001327286324 1330452547 /nfs/dbraw/zinc/45/25/47/1330452547.db2.gz OXEPROZHQJQYJY-UHFFFAOYSA-N -1 3 342.436 2.551 20 30 EFEDHM O=C(Nc1ccc(SC(F)(F)F)cc1)N[C@@H]1CCCN([O-])C1=O ZINC001331098043 1330794435 /nfs/dbraw/zinc/79/44/35/1330794435.db2.gz KCJFJXVKSQMIGN-SNVBAGLBSA-N -1 3 349.334 2.800 20 30 EFEDHM C=C(C)CCC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC001337250294 1331553998 /nfs/dbraw/zinc/55/39/98/1331553998.db2.gz MVNDPXDFKUWPLB-UHFFFAOYSA-N -1 3 342.399 2.621 20 30 EFEDHM C=C(C)CCC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC001337250294 1331554001 /nfs/dbraw/zinc/55/40/01/1331554001.db2.gz MVNDPXDFKUWPLB-UHFFFAOYSA-N -1 3 342.399 2.621 20 30 EFEDHM C#CCN(c1nnc(-c2c[n-]oc2=O)n1C)[C@@H]1CCCc2ccccc21 ZINC001338302884 1331687776 /nfs/dbraw/zinc/68/77/76/1331687776.db2.gz USOQDCMOYXULMT-MRXNPFEDSA-N -1 3 349.394 2.693 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(Cc1ccco1)C(C)C ZINC001338885678 1331752684 /nfs/dbraw/zinc/75/26/84/1331752684.db2.gz SXICHYSXGOBKNV-UHFFFAOYSA-N -1 3 329.360 2.833 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001338885819 1331752760 /nfs/dbraw/zinc/75/27/60/1331752760.db2.gz UYIFJPUFNRZHSV-OBJOEFQTSA-N -1 3 329.404 2.840 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001338885827 1331752928 /nfs/dbraw/zinc/75/29/28/1331752928.db2.gz UYIFJPUFNRZHSV-SGMGOOAPSA-N -1 3 329.404 2.840 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001338963205 1331762394 /nfs/dbraw/zinc/76/23/94/1331762394.db2.gz HVICGCGMGDJOSI-AWEZNQCLSA-N -1 3 340.431 2.643 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001339194080 1331813969 /nfs/dbraw/zinc/81/39/69/1331813969.db2.gz BPAUGVQVHJCTQR-UKRRQHHQSA-N -1 3 340.431 2.704 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H](OC)C3)n2C)c1[O-] ZINC001339316828 1331841069 /nfs/dbraw/zinc/84/10/69/1331841069.db2.gz LWVHGMSZJVCNBO-AWEZNQCLSA-N -1 3 328.416 2.531 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](C(C)(C)C)C1 ZINC001339606337 1331910968 /nfs/dbraw/zinc/91/09/68/1331910968.db2.gz JHVXVFZDYRCFNL-CYBMUJFWSA-N -1 3 342.447 2.889 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H]1c1ccccc1 ZINC001340343582 1332177851 /nfs/dbraw/zinc/17/78/51/1332177851.db2.gz SAWPWPRQGWIIDF-INIZCTEOSA-N -1 3 348.410 2.968 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001340380720 1332184953 /nfs/dbraw/zinc/18/49/53/1332184953.db2.gz VYEYHCFNFYSMQA-CQSZACIVSA-N -1 3 337.383 2.819 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](CC(C)C)C1 ZINC001342026631 1332295827 /nfs/dbraw/zinc/29/58/27/1332295827.db2.gz ZXXBMQDMKDICCW-CQSZACIVSA-N -1 3 342.447 2.889 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)CC1CCCC1 ZINC001342025867 1332296008 /nfs/dbraw/zinc/29/60/08/1332296008.db2.gz URELPQIUXKBBGG-UHFFFAOYSA-N -1 3 328.420 2.643 20 30 EFEDHM Cn1ccnc1C(C#N)=C([O-])c1cnn(-c2ccccc2)c1C1CC1 ZINC001342173250 1332313008 /nfs/dbraw/zinc/31/30/08/1332313008.db2.gz KYDNJUFAALYCRB-OAHLLOKOSA-N -1 3 331.379 2.973 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1Cc2ccccc2[C@@H](C)C1 ZINC001342198673 1332316138 /nfs/dbraw/zinc/31/61/38/1332316138.db2.gz WYHVTFORSQWLQJ-LBPRGKRZSA-N -1 3 337.383 2.948 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001343581805 1332359954 /nfs/dbraw/zinc/35/99/54/1332359954.db2.gz VGTFNHADUGHRCE-HIFRSBDPSA-N -1 3 340.431 2.786 20 30 EFEDHM N#Cc1ccc(SCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC001349803037 1332999864 /nfs/dbraw/zinc/99/98/64/1332999864.db2.gz MJMHTGSBPIFIRC-UHFFFAOYSA-N -1 3 325.353 2.667 20 30 EFEDHM CC#CC[C@H](NCc1cc(C)c(F)cc1Br)C(=O)[O-] ZINC001350668545 1333111054 /nfs/dbraw/zinc/11/10/54/1333111054.db2.gz RWPJKEUVGCYBPC-ZDUSSCGKSA-N -1 3 328.181 2.853 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC)CCC1CC1 ZINC001352062511 1333369752 /nfs/dbraw/zinc/36/97/52/1333369752.db2.gz HIQMDPXXLMKNCV-UHFFFAOYSA-N -1 3 328.420 2.562 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@](C)(CC)C1 ZINC001352063382 1333369867 /nfs/dbraw/zinc/36/98/67/1333369867.db2.gz RKGPRFCHSBGUIJ-QGZVFWFLSA-N -1 3 328.420 2.562 20 30 EFEDHM CC1CC(C(=O)N[C@@H]2CCCN([O-])C2=O)(c2cccc(Cl)c2)C1 ZINC000848131387 1334344062 /nfs/dbraw/zinc/34/40/62/1334344062.db2.gz FBFXTENIVUEJAM-CHHLVHLRSA-N -1 3 336.819 2.504 20 30 EFEDHM CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc2ccccc2c1 ZINC000848135284 1334348480 /nfs/dbraw/zinc/34/84/80/1334348480.db2.gz BOTWRCWCBVIDJA-INIZCTEOSA-N -1 3 326.396 2.614 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1SCc1ccco1 ZINC000848137326 1334349788 /nfs/dbraw/zinc/34/97/88/1334349788.db2.gz DDZYRJUMEFARLS-AWEZNQCLSA-N -1 3 346.408 2.682 20 30 EFEDHM CCCCCCOc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848138993 1334350678 /nfs/dbraw/zinc/35/06/78/1334350678.db2.gz WEMRKUIDIAHFRC-MRXNPFEDSA-N -1 3 334.416 2.756 20 30 EFEDHM Cc1ccc(-c2ncc(C(=O)N[C@@H]3CCCN([O-])C3=O)s2)c(C)c1 ZINC000848139052 1334350726 /nfs/dbraw/zinc/35/07/26/1334350726.db2.gz RCPNDQPJLXYXJE-CYBMUJFWSA-N -1 3 345.424 2.537 20 30 EFEDHM CC(C)(C)c1ccc2cc(C(=O)N[C@H]3CCCN([O-])C3=O)[nH]c2c1 ZINC000848138721 1334351114 /nfs/dbraw/zinc/35/11/14/1334351114.db2.gz SWNVPLODLMEGPC-ZDUSSCGKSA-N -1 3 329.400 2.575 20 30 EFEDHM Cc1cc(Cl)cc(Cl)c1NC(=S)N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001200828741 1334623478 /nfs/dbraw/zinc/62/34/78/1334623478.db2.gz SSYFZEFGKATIFP-CPCISQLKSA-N -1 3 348.255 2.824 20 30 EFEDHM CCc1nocc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000848694210 1334845331 /nfs/dbraw/zinc/84/53/31/1334845331.db2.gz GXPLQUFVNINRDN-UHFFFAOYSA-N -1 3 329.356 2.502 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC[C@@H](CC)C1 ZINC001355957505 1334917677 /nfs/dbraw/zinc/91/76/77/1334917677.db2.gz HBHVZLYJWUUULT-CQSZACIVSA-N -1 3 342.447 2.952 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC001355969627 1334921188 /nfs/dbraw/zinc/92/11/88/1334921188.db2.gz WLPULNPMIHMOOB-QWHCGFSZSA-N -1 3 328.420 2.642 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001355969622 1334921248 /nfs/dbraw/zinc/92/12/48/1334921248.db2.gz WLPULNPMIHMOOB-CHWSQXEVSA-N -1 3 328.420 2.642 20 30 EFEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1C ZINC001356058536 1334943528 /nfs/dbraw/zinc/94/35/28/1334943528.db2.gz DADWWHTYQVDFCC-NSHDSACASA-N -1 3 330.775 2.597 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)C)n1 ZINC001356265502 1335005013 /nfs/dbraw/zinc/00/50/13/1335005013.db2.gz IZHWJWNUGYJYOJ-ZDUSSCGKSA-N -1 3 340.383 2.742 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](C2CCC2)C1 ZINC001356463525 1335040206 /nfs/dbraw/zinc/04/02/06/1335040206.db2.gz QQDNDEBVSDNXFP-ZDUSSCGKSA-N -1 3 329.404 2.841 20 30 EFEDHM CCn1ncc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)c1C ZINC001356567058 1335054122 /nfs/dbraw/zinc/05/41/22/1335054122.db2.gz KUIAKFKEKVZXGU-INIZCTEOSA-N -1 3 333.395 2.946 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](OC2CCCC2)C(F)(F)F)c1[O-] ZINC000849170084 1335563169 /nfs/dbraw/zinc/56/31/69/1335563169.db2.gz KUXATVAMNXRDHF-ZFDKXDDWSA-N -1 3 346.349 2.897 20 30 EFEDHM Cc1cc(NC(=O)c2cc([O-])cc(Br)c2)n(CCC#N)n1 ZINC001361845200 1336371783 /nfs/dbraw/zinc/37/17/83/1336371783.db2.gz XWNVORBHGFFALV-UHFFFAOYSA-N -1 3 349.188 2.826 20 30 EFEDHM N#Cc1ccc(CCNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001418427899 1374012451 /nfs/dbraw/zinc/01/24/51/1374012451.db2.gz UGRXUWBMNHWSOV-UHFFFAOYSA-N -1 3 345.196 2.999 20 30 EFEDHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1cccc(F)c1C#N ZINC001458453869 1395472497 /nfs/dbraw/zinc/47/24/97/1395472497.db2.gz DNDBKIHVMSLNCE-MNOVXSKESA-N -1 3 328.347 2.873 20 30 EFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N(CCC#N)CCC#N)s1 ZINC001464377983 1396569873 /nfs/dbraw/zinc/56/98/73/1396569873.db2.gz RIXBLUGAYRBZEL-UHFFFAOYSA-N -1 3 349.416 2.760 20 30 EFEDHM Cc1cccc([O-])c1C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001466801654 1396786276 /nfs/dbraw/zinc/78/62/76/1396786276.db2.gz BCOXDEYZOSDHCW-UHFFFAOYSA-N -1 3 346.390 2.903 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001557791670 1415146077 /nfs/dbraw/zinc/14/60/77/1415146077.db2.gz RUXQFVLAYKGXPC-LBPRGKRZSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001557791670 1415146082 /nfs/dbraw/zinc/14/60/82/1415146082.db2.gz RUXQFVLAYKGXPC-LBPRGKRZSA-N -1 3 332.367 2.556 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)c1ccccc1 ZINC001561626605 1415320539 /nfs/dbraw/zinc/32/05/39/1415320539.db2.gz DWWLTHVSHJMPRM-UHFFFAOYSA-N -1 3 349.799 2.868 20 30 EFEDHM N#Cc1ccc(CN(Cc2ccc(-c3nn[n-]n3)s2)C2CC2)cc1 ZINC000826384851 1426553339 /nfs/dbraw/zinc/55/33/39/1426553339.db2.gz LZBVVUCYWAASQV-UHFFFAOYSA-N -1 3 336.424 2.964 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824035244 1427980119 /nfs/dbraw/zinc/98/01/19/1427980119.db2.gz UZHHKHMEYCEVKU-AWEZNQCLSA-N -1 3 348.410 2.790 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824035244 1427980125 /nfs/dbraw/zinc/98/01/25/1427980125.db2.gz UZHHKHMEYCEVKU-AWEZNQCLSA-N -1 3 348.410 2.790 20 30 EFEDHM C=CCN(Cc1ccccc1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819745678 1441908402 /nfs/dbraw/zinc/90/84/02/1441908402.db2.gz OWLRVPMBQPZKDZ-SFHVURJKSA-N -1 3 335.411 2.588 20 30 EFEDHM C#CCN(CC)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823844601 1443110046 /nfs/dbraw/zinc/11/00/46/1443110046.db2.gz CSLCNBQJTNNITC-UHFFFAOYSA-N -1 3 347.422 2.901 20 30 EFEDHM C#CCN(CC)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823844601 1443110050 /nfs/dbraw/zinc/11/00/50/1443110050.db2.gz CSLCNBQJTNNITC-UHFFFAOYSA-N -1 3 347.422 2.901 20 30 EFEDHM C#CC[C@@H](NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823838325 1443668148 /nfs/dbraw/zinc/66/81/48/1443668148.db2.gz OCWDPSSBJGEGDV-QGZVFWFLSA-N -1 3 333.395 2.730 20 30 EFEDHM C#CC[C@@H](NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823838325 1443668150 /nfs/dbraw/zinc/66/81/50/1443668150.db2.gz OCWDPSSBJGEGDV-QGZVFWFLSA-N -1 3 333.395 2.730 20 30 EFEDHM COc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1-c1nn[n-]n1 ZINC000826201794 1443737484 /nfs/dbraw/zinc/73/74/84/1443737484.db2.gz DOHOBJCBNMZRSH-UHFFFAOYSA-N -1 3 346.394 2.526 20 30 EFEDHM COc1ccc(CNC2(c3cccc(C#N)c3)CC2)cc1-c1nnn[n-]1 ZINC000826201794 1443737487 /nfs/dbraw/zinc/73/74/87/1443737487.db2.gz DOHOBJCBNMZRSH-UHFFFAOYSA-N -1 3 346.394 2.526 20 30 EFEDHM C[C@@H]1CC(N=Nc2cccc(-c3nn[n-]n3)c2)CN1Cc1ccccc1 ZINC000820641629 1450084639 /nfs/dbraw/zinc/08/46/39/1450084639.db2.gz DQCMJIUMNMRHNM-CQSZACIVSA-N -1 3 347.426 2.929 20 30 EFEDHM C[C@@H]1CC(N=Nc2cccc(-c3nnn[n-]3)c2)CN1Cc1ccccc1 ZINC000820641629 1450084642 /nfs/dbraw/zinc/08/46/42/1450084642.db2.gz DQCMJIUMNMRHNM-CQSZACIVSA-N -1 3 347.426 2.929 20 30 EFEDHM C[C@H](NC(=O)c1ccccc1[O-])C1CN(Cc2ccc(C#N)s2)C1 ZINC000969308081 713030898 /nfs/dbraw/zinc/03/08/98/713030898.db2.gz MLTMBRUIAHKUNE-LBPRGKRZSA-N -1 3 341.436 2.576 20 30 EFEDHM C=CCOc1ccccc1CN/C=C1\C(=O)[N-]C(=O)c2ccccc21 ZINC000255032259 713334465 /nfs/dbraw/zinc/33/44/65/713334465.db2.gz UUQGLCFVUQBTMM-LGMDPLHJSA-N -1 3 334.375 2.652 20 30 EFEDHM COc1ccc(CNC(=O)C/N=C\c2cc(Cl)ccc2[O-])cc1 ZINC000255170017 714050038 /nfs/dbraw/zinc/05/00/38/714050038.db2.gz WPCDPIYQGQBRDO-GRSHGNNSSA-N -1 3 332.787 2.790 20 30 EFEDHM CC(C)(C)OCc1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000933200062 714541380 /nfs/dbraw/zinc/54/13/80/714541380.db2.gz MILONJGHWUMQPK-AWEZNQCLSA-N -1 3 335.404 2.503 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(CC(C)C)n2)cc1 ZINC000892503360 718001727 /nfs/dbraw/zinc/00/17/27/718001727.db2.gz FWNVNMSDKUXMBZ-HNNXBMFYSA-N -1 3 340.383 2.509 20 30 EFEDHM CSc1cncc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000891874242 715082407 /nfs/dbraw/zinc/08/24/07/715082407.db2.gz JOBGPGRFZHBTIT-UHFFFAOYSA-N -1 3 342.424 2.964 20 30 EFEDHM C[C@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000023416238 715461589 /nfs/dbraw/zinc/46/15/89/715461589.db2.gz GPMXAYUTMPIDRB-LLVKDONJSA-N -1 3 348.355 2.695 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccsc2)ccc1F ZINC000118677740 715463463 /nfs/dbraw/zinc/46/34/63/715463463.db2.gz PASLPRZDZRQQNZ-UHFFFAOYSA-N -1 3 340.401 2.604 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000975132222 715549799 /nfs/dbraw/zinc/54/97/99/715549799.db2.gz JICJSHOMRVMUGD-AWEZNQCLSA-N -1 3 330.428 2.573 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc2c(s1)CCCC2 ZINC000125122268 715984164 /nfs/dbraw/zinc/98/41/64/715984164.db2.gz XPACPXXVJNESDM-GFCCVEGCSA-N -1 3 325.393 2.983 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC000975877130 716012471 /nfs/dbraw/zinc/01/24/71/716012471.db2.gz FAHIWSSGRBUBKC-CQSZACIVSA-N -1 3 330.428 2.715 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC000977394335 716156750 /nfs/dbraw/zinc/15/67/50/716156750.db2.gz BNSVWTDWKVDUDR-KUHUBIRLSA-N -1 3 330.428 2.667 20 30 EFEDHM O=S(=O)([N-]C1CC1)c1cc(N=Cc2ccccc2O)ccc1F ZINC000255588864 716740937 /nfs/dbraw/zinc/74/09/37/716740937.db2.gz HRAYMFQZDFHOLJ-UHFFFAOYSA-N -1 3 334.372 2.723 20 30 EFEDHM O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc([O-])c1 ZINC000063428122 716910893 /nfs/dbraw/zinc/91/08/93/716910893.db2.gz VZPLZICGJXSALL-SNAWJCMRSA-N -1 3 327.292 2.968 20 30 EFEDHM N#Cc1nc(N[C@H]2CCN(C(=O)c3ccccc3[O-])C2)sc1Cl ZINC001058832318 717224613 /nfs/dbraw/zinc/22/46/13/717224613.db2.gz JEYMKTRUPMTRKM-VIFPVBQESA-N -1 3 348.815 2.700 20 30 EFEDHM CC1(C)CN(CC#Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000972815610 717356829 /nfs/dbraw/zinc/35/68/29/717356829.db2.gz VBPPAEKSONQEQD-FQEVSTJZSA-N -1 3 348.446 2.884 20 30 EFEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000177601136 718127468 /nfs/dbraw/zinc/12/74/68/718127468.db2.gz GYJYRGVYBGECOO-LLVKDONJSA-N -1 3 330.365 2.726 20 30 EFEDHM C[C@H](C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000023416281 718164492 /nfs/dbraw/zinc/16/44/92/718164492.db2.gz QVPBWQPBYSSGLT-LLVKDONJSA-N -1 3 348.355 2.695 20 30 EFEDHM C=CC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC000986481277 724696947 /nfs/dbraw/zinc/69/69/47/724696947.db2.gz QXRAPUYUIDVSSK-CABCVRRESA-N -1 3 342.439 2.525 20 30 EFEDHM Cc1ccc2c(c1)CC[C@@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)O2 ZINC000330003197 720827494 /nfs/dbraw/zinc/82/74/94/720827494.db2.gz BNTUFBUZJQHURL-NSHDSACASA-N -1 3 340.305 2.982 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC000983519185 722678095 /nfs/dbraw/zinc/67/80/95/722678095.db2.gz CTLLRXOHMGCLCR-HUUCEWRRSA-N -1 3 342.439 2.906 20 30 EFEDHM C[C@H](CN1CCCC1=O)/N=C\c1cc(Br)ccc1[O-] ZINC000917557258 728759832 /nfs/dbraw/zinc/75/98/32/728759832.db2.gz CSILOTIKHHQGNT-NUEDXCKTSA-N -1 3 325.206 2.585 20 30 EFEDHM O=C1OCCN1Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000917557502 728759848 /nfs/dbraw/zinc/75/98/48/728759848.db2.gz PMIMQAMTYQUQJO-UHFFFAOYSA-N -1 3 328.324 2.506 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196557 722887234 /nfs/dbraw/zinc/88/72/34/722887234.db2.gz XWUNKNZEQOTJRX-JKSUJKDBSA-N -1 3 344.455 2.963 20 30 EFEDHM O=C1[C@@H](NCc2oc3ccccc3c2Br)CCCN1[O-] ZINC000895158136 723485908 /nfs/dbraw/zinc/48/59/08/723485908.db2.gz XEISPYPBADIVHQ-JTQLQIEISA-N -1 3 339.189 2.665 20 30 EFEDHM O=C1[C@H](NCc2ccc(Br)c(Cl)c2)CCCN1[O-] ZINC000895161812 723493092 /nfs/dbraw/zinc/49/30/92/723493092.db2.gz URLODFHRUHZXDC-LLVKDONJSA-N -1 3 333.613 2.572 20 30 EFEDHM COc1cc(-c2ccccc2)ccc1CN[C@@H]1CCCN([O-])C1=O ZINC000895163082 723497701 /nfs/dbraw/zinc/49/77/01/723497701.db2.gz QPPOIHUNBZXRFJ-QGZVFWFLSA-N -1 3 326.396 2.832 20 30 EFEDHM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN[C@H]1CCCN([O-])C1=O ZINC000895164150 723502672 /nfs/dbraw/zinc/50/26/72/723502672.db2.gz DAYBYUCMNCGBBB-INIZCTEOSA-N -1 3 348.834 2.612 20 30 EFEDHM O=C1[C@H](NCc2ccccc2OCc2ccccc2)CCCN1[O-] ZINC000895164249 723503467 /nfs/dbraw/zinc/50/34/67/723503467.db2.gz BALQCOBLFWCSMQ-QGZVFWFLSA-N -1 3 326.396 2.735 20 30 EFEDHM O=C1[C@@H](NCc2ccccc2OCc2ccccc2)CCCN1[O-] ZINC000895164248 723503483 /nfs/dbraw/zinc/50/34/83/723503483.db2.gz BALQCOBLFWCSMQ-KRWDZBQOSA-N -1 3 326.396 2.735 20 30 EFEDHM COc1ccc([C@@H](NC(C)C)C(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000896821896 723509919 /nfs/dbraw/zinc/50/99/19/723509919.db2.gz XFMKRXIVWZHNLI-GOSISDBHSA-N -1 3 339.395 2.950 20 30 EFEDHM CCCOc1c(Cl)cc(CN[C@@H]2CCCN([O-])C2=O)cc1OC ZINC000895166618 723513950 /nfs/dbraw/zinc/51/39/50/723513950.db2.gz SXYSJBMTUDNWKE-CYBMUJFWSA-N -1 3 342.823 2.607 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(C)c(C)c1O ZINC000728156947 723796475 /nfs/dbraw/zinc/79/64/75/723796475.db2.gz PEIASJZUPJDMFU-UHFFFAOYSA-N -1 3 332.425 2.853 20 30 EFEDHM CC(C)(C)OC(=O)Nc1ccsc1CN[C@H]1CCCN([O-])C1=O ZINC000895197111 723863810 /nfs/dbraw/zinc/86/38/10/723863810.db2.gz PHKHRTRXWOESQM-NSHDSACASA-N -1 3 341.433 2.565 20 30 EFEDHM CC(C)(C/N=C\c1cc(Cl)ccc1[O-])[C@@H]1COCC12OCCO2 ZINC000840710433 723927630 /nfs/dbraw/zinc/92/76/30/723927630.db2.gz JKZJHZZIBBJHFQ-CPIUSTHESA-N -1 3 339.819 2.880 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2CC)C1 ZINC000985422645 724300299 /nfs/dbraw/zinc/30/02/99/724300299.db2.gz XLUOJSIWXGCXOF-JKSUJKDBSA-N -1 3 342.439 2.858 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnn(C(C)(C)C)c2)c1 ZINC000127191723 724322919 /nfs/dbraw/zinc/32/29/19/724322919.db2.gz KCOOOCBVUXLJBB-HNNXBMFYSA-N -1 3 340.383 2.608 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC([C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC000986944768 724976205 /nfs/dbraw/zinc/97/62/05/724976205.db2.gz CCXMKXHDUAECJH-AWEZNQCLSA-N -1 3 344.455 2.961 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccsc2)cc1OC ZINC000130056263 725476001 /nfs/dbraw/zinc/47/60/01/725476001.db2.gz OSAZTESPJZFCEP-GFCCVEGCSA-N -1 3 330.365 2.726 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cncc(F)c1 ZINC000151610050 725789472 /nfs/dbraw/zinc/78/94/72/725789472.db2.gz GDUUDLDVCBGBDG-CYBMUJFWSA-N -1 3 327.315 2.581 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC000988296038 726157827 /nfs/dbraw/zinc/15/78/27/726157827.db2.gz SXGAZOYBIYUELW-FOIQADDNSA-N -1 3 344.455 2.915 20 30 EFEDHM COc1cc(C=NOC[C@H]2CCOC2)cc(Br)c1[O-] ZINC000788035272 726863593 /nfs/dbraw/zinc/86/35/93/726863593.db2.gz ZAAOJKCURKHGDT-VIFPVBQESA-N -1 3 330.178 2.550 20 30 EFEDHM C=CCC[C@H](NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908884009 727281108 /nfs/dbraw/zinc/28/11/08/727281108.db2.gz GYKPKUVHKCOTPK-PVAVHDDUSA-N -1 3 345.443 2.541 20 30 EFEDHM C=CCC[C@@H](NC(=O)c1oc2ccccc2c1CN(C)C)C(=O)[O-] ZINC000909714490 727366470 /nfs/dbraw/zinc/36/64/70/727366470.db2.gz XSNNENAEEMATJN-CQSZACIVSA-N -1 3 330.384 2.644 20 30 EFEDHM C#CCN1CCC(C(=O)N[C@@H](CCC(=O)[O-])CC2CCCCC2)CC1 ZINC000909845284 727389430 /nfs/dbraw/zinc/38/94/30/727389430.db2.gz SKGLCIFUOMIAHW-SFHVURJKSA-N -1 3 348.487 2.652 20 30 EFEDHM C=C(C)C[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC000910291721 727430694 /nfs/dbraw/zinc/43/06/94/727430694.db2.gz ALXBAHHVAALTGD-KRWDZBQOSA-N -1 3 330.428 2.822 20 30 EFEDHM C=CCCC[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C(=O)[O-] ZINC000910914133 727471714 /nfs/dbraw/zinc/47/17/14/727471714.db2.gz CGOOILYRCKEPRV-KRWDZBQOSA-N -1 3 330.428 2.822 20 30 EFEDHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccn1 ZINC000911133995 727499969 /nfs/dbraw/zinc/49/99/69/727499969.db2.gz ZYVFFMKCSBFUSW-MRXNPFEDSA-N -1 3 338.411 2.871 20 30 EFEDHM Cc1cccc(NC(=S)NN=C2C(=O)Nc3cc([O-])ccc32)c1C ZINC000915937901 727643045 /nfs/dbraw/zinc/64/30/45/727643045.db2.gz OQPWTRPNMHFLGH-UHFFFAOYSA-N -1 3 340.408 2.652 20 30 EFEDHM [O-]c1c(Br)cccc1C=NNCCN1CCCCC1 ZINC000915974520 727644590 /nfs/dbraw/zinc/64/45/90/727644590.db2.gz HMQDXWKJLOYUEX-UHFFFAOYSA-N -1 3 326.238 2.564 20 30 EFEDHM Cc1ncc(CO)c(C=NNc2ccc(Cl)cc2[N+](=O)[O-])c1[O-] ZINC000915975495 727644614 /nfs/dbraw/zinc/64/46/14/727644614.db2.gz IQGCKHLVJZIVMP-UHFFFAOYSA-N -1 3 336.735 2.596 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1[O-] ZINC000915981501 727645026 /nfs/dbraw/zinc/64/50/26/727645026.db2.gz DNZIULFQRVFTHQ-CPOBKIPGSA-N -1 3 339.395 2.653 20 30 EFEDHM CCC(=O)Nc1cccc(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000915982771 727645435 /nfs/dbraw/zinc/64/54/35/727645435.db2.gz BSNLZZDSHKJYPS-GRSHGNNSSA-N -1 3 327.384 2.556 20 30 EFEDHM CC(=NNCc1ccccc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000916343837 727678226 /nfs/dbraw/zinc/67/82/26/727678226.db2.gz JHROCXIPTNWLMI-UHFFFAOYSA-N -1 3 339.439 2.738 20 30 EFEDHM CCCNC(=S)NN=C(C)c1cc(Br)ccc1[O-] ZINC000916358721 727679126 /nfs/dbraw/zinc/67/91/26/727679126.db2.gz PSNFEJWZEQSUCC-UHFFFAOYSA-N -1 3 330.251 2.753 20 30 EFEDHM O=C(Nc1nnc(C2CCCCC2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000029089441 727735469 /nfs/dbraw/zinc/73/54/69/727735469.db2.gz JOEXLWRYFAXMSJ-UHFFFAOYSA-N -1 3 349.372 2.819 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSCc1ccco1 ZINC000151029577 727769170 /nfs/dbraw/zinc/76/91/70/727769170.db2.gz MUXGUCODANVEQD-PPGNKHEKSA-N -1 3 327.365 2.769 20 30 EFEDHM Cn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000129676211 728035960 /nfs/dbraw/zinc/03/59/60/728035960.db2.gz GDQMOZXPQUNSPO-JTQLQIEISA-N -1 3 337.166 2.688 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060330538 728285452 /nfs/dbraw/zinc/28/54/52/728285452.db2.gz FCUGBFJUEYGMHK-YWZLYKJASA-N -1 3 344.455 2.963 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C(C)(C)C)c1 ZINC000130002946 728569603 /nfs/dbraw/zinc/56/96/03/728569603.db2.gz SWBKOEMITGGWRN-CYBMUJFWSA-N -1 3 340.383 2.608 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccs2)cc1OC ZINC000130030788 728642549 /nfs/dbraw/zinc/64/25/49/728642549.db2.gz AJHKWCMDUNEMKE-NSHDSACASA-N -1 3 330.365 2.726 20 30 EFEDHM C#C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000174472573 728666919 /nfs/dbraw/zinc/66/69/19/728666919.db2.gz XTXZTWBAKNDXMP-GFCCVEGCSA-N -1 3 347.367 2.805 20 30 EFEDHM CC(C)(C#N)CS(=O)(=O)[N-]CC(=O)c1cc2ccccc2s1 ZINC000919082172 728969325 /nfs/dbraw/zinc/96/93/25/728969325.db2.gz WJMDKKIEAIMCGZ-UHFFFAOYSA-N -1 3 336.438 2.553 20 30 EFEDHM CCOc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000920384336 729178009 /nfs/dbraw/zinc/17/80/09/729178009.db2.gz ZAQKCZLZAFKBOM-UHFFFAOYSA-N -1 3 332.425 2.929 20 30 EFEDHM COc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1F ZINC000920384248 729178196 /nfs/dbraw/zinc/17/81/96/729178196.db2.gz XOKXHQVTVDYHJI-UHFFFAOYSA-N -1 3 336.388 2.678 20 30 EFEDHM COc1cccc2cc(C=N[N-]S(=O)(=O)Cc3ccccc3)oc21 ZINC000920382960 729178257 /nfs/dbraw/zinc/17/82/57/729178257.db2.gz DLSPOODTVXLQSW-UHFFFAOYSA-N -1 3 344.392 2.895 20 30 EFEDHM CN1CCC(C#N)([N-]C(=O)C(F)(F)c2cccc(Cl)c2)CC1 ZINC000921076407 729257303 /nfs/dbraw/zinc/25/73/03/729257303.db2.gz VCWJERQQUVVDDE-UHFFFAOYSA-N -1 3 327.762 2.536 20 30 EFEDHM COc1ccc(CNC(=O)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000064359764 729473827 /nfs/dbraw/zinc/47/38/27/729473827.db2.gz WPCDPIYQGQBRDO-VXLYETTFSA-N -1 3 332.787 2.790 20 30 EFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000233898868 729515527 /nfs/dbraw/zinc/51/55/27/729515527.db2.gz XUJAWMFBEOQHJX-VIFPVBQESA-N -1 3 336.638 2.793 20 30 EFEDHM CN1CCCc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc21 ZINC000068239473 729648136 /nfs/dbraw/zinc/64/81/36/729648136.db2.gz QUIYUHQLWZCXDY-UHFFFAOYSA-N -1 3 327.409 2.741 20 30 EFEDHM C=CCCOCCCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823899149 946508947 /nfs/dbraw/zinc/50/89/47/946508947.db2.gz NPLBSOYATHUBOO-AWEZNQCLSA-N -1 3 343.431 2.807 20 30 EFEDHM C=CCCOCCCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823899149 946508957 /nfs/dbraw/zinc/50/89/57/946508957.db2.gz NPLBSOYATHUBOO-AWEZNQCLSA-N -1 3 343.431 2.807 20 30 EFEDHM C=CCSCCNc1ccc(Br)cc1-c1nnn[n-]1 ZINC000823937359 946523908 /nfs/dbraw/zinc/52/39/08/946523908.db2.gz UJUZGIDQFCHCRI-UHFFFAOYSA-N -1 3 340.250 2.960 20 30 EFEDHM C=CCSCCNc1ccc(Br)cc1-c1nn[n-]n1 ZINC000823937359 946523920 /nfs/dbraw/zinc/52/39/20/946523920.db2.gz UJUZGIDQFCHCRI-UHFFFAOYSA-N -1 3 340.250 2.960 20 30 EFEDHM C[C@H](C#N)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824034933 946561173 /nfs/dbraw/zinc/56/11/73/946561173.db2.gz QMVZRUNLKPSDHF-CHWSQXEVSA-N -1 3 346.394 2.871 20 30 EFEDHM C#Cc1ccc(NC(=O)N(C)Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC001573289821 946895986 /nfs/dbraw/zinc/89/59/86/946895986.db2.gz DKWKKALDDVYSPE-UHFFFAOYSA-N -1 3 338.396 2.573 20 30 EFEDHM C#Cc1ccc(NC(=O)N(C)Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC001573289821 946895992 /nfs/dbraw/zinc/89/59/92/946895992.db2.gz DKWKKALDDVYSPE-UHFFFAOYSA-N -1 3 338.396 2.573 20 30 EFEDHM C#CCOc1ccc(NC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)cc1 ZINC001573290535 946905945 /nfs/dbraw/zinc/90/59/45/946905945.db2.gz YQWJKOOXPLQMNL-UHFFFAOYSA-N -1 3 347.378 2.748 20 30 EFEDHM C#CCOc1ccc(NC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC001573290535 946905950 /nfs/dbraw/zinc/90/59/50/946905950.db2.gz YQWJKOOXPLQMNL-UHFFFAOYSA-N -1 3 347.378 2.748 20 30 EFEDHM C=CC[C@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001573318338 947307313 /nfs/dbraw/zinc/30/73/13/947307313.db2.gz ATLRFGIXOIARKK-HNNXBMFYSA-N -1 3 334.383 2.584 20 30 EFEDHM C=CC[C@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001573318338 947307319 /nfs/dbraw/zinc/30/73/19/947307319.db2.gz ATLRFGIXOIARKK-HNNXBMFYSA-N -1 3 334.383 2.584 20 30 EFEDHM C=CCCCC(=O)N[C@H](C)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573334108 947446815 /nfs/dbraw/zinc/44/68/15/947446815.db2.gz JRDKOGMOFZVDCX-NWDGAFQWSA-N -1 3 346.410 2.667 20 30 EFEDHM C=CCCCC(=O)N[C@H](C)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573334108 947446823 /nfs/dbraw/zinc/44/68/23/947446823.db2.gz JRDKOGMOFZVDCX-NWDGAFQWSA-N -1 3 346.410 2.667 20 30 EFEDHM C=CCCOCCCCC(=O)Oc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001573341343 947530742 /nfs/dbraw/zinc/53/07/42/947530742.db2.gz LPQCSIQDNUWSDU-UHFFFAOYSA-N -1 3 346.387 2.544 20 30 EFEDHM C=CCCOCCCCC(=O)Oc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001573341343 947530748 /nfs/dbraw/zinc/53/07/48/947530748.db2.gz LPQCSIQDNUWSDU-UHFFFAOYSA-N -1 3 346.387 2.544 20 30 EFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)[C@H](C)C(C)(C)C ZINC001573756721 948825981 /nfs/dbraw/zinc/82/59/81/948825981.db2.gz UNRGCMMYLIIYFN-QWRGUYRKSA-N -1 3 326.404 2.995 20 30 EFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)[C@H](C)C(C)(C)C ZINC001573756721 948826001 /nfs/dbraw/zinc/82/60/01/948826001.db2.gz UNRGCMMYLIIYFN-QWRGUYRKSA-N -1 3 326.404 2.995 20 30 EFEDHM CC[C@]1(C(=O)[O-])CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001589606297 949276816 /nfs/dbraw/zinc/27/68/16/949276816.db2.gz IXDDXHCSCGWDGB-SFHVURJKSA-N -1 3 340.383 2.685 20 30 EFEDHM C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C(=O)[O-] ZINC001589352813 954090892 /nfs/dbraw/zinc/09/08/92/954090892.db2.gz GCGVLYZJDJANDQ-SWLSCSKDSA-N -1 3 341.329 2.979 20 30 EFEDHM N#Cc1ccccc1NC(=O)CCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001594632167 956350243 /nfs/dbraw/zinc/35/02/43/956350243.db2.gz SBRXIZFADSAVIA-KRWDZBQOSA-N -1 3 349.390 2.571 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCCN(Cc3ccc(C(=O)[O-])s3)C2)nc1 ZINC000903709087 956906445 /nfs/dbraw/zinc/90/64/45/956906445.db2.gz ANLVINIQICJCAE-ZDUSSCGKSA-N -1 3 342.424 2.789 20 30 EFEDHM C=CCCSCCNCc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001588460712 958479878 /nfs/dbraw/zinc/47/98/78/958479878.db2.gz UNPPEODZBVWHGT-CQSZACIVSA-N -1 3 338.473 2.980 20 30 EFEDHM C[C@@H](NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1)c1ccc(C#N)cc1F ZINC001603248251 972411206 /nfs/dbraw/zinc/41/12/06/972411206.db2.gz VIFDQADKMIRGBC-ZHKKWPCLSA-N -1 3 332.375 2.760 20 30 EFEDHM C=CCOC[C@H](NCc1cccc(Br)c1Cl)C(=O)[O-] ZINC001573369772 963102990 /nfs/dbraw/zinc/10/29/90/963102990.db2.gz ZVYHSXABNIGUCA-NSHDSACASA-N -1 3 348.624 2.848 20 30 EFEDHM C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)NCc1ccc(C#N)s1 ZINC001592267266 977512917 /nfs/dbraw/zinc/51/29/17/977512917.db2.gz CJCFJOAJBFHDEZ-NSHDSACASA-N -1 3 343.408 2.825 20 30 EFEDHM C[C@H](CN(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1)C(=O)[O-] ZINC001592604450 978543625 /nfs/dbraw/zinc/54/36/25/978543625.db2.gz CCBFLSAZOQVHIX-OAHLLOKOSA-N -1 3 348.406 2.929 20 30 EFEDHM CC[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC001595276770 980301609 /nfs/dbraw/zinc/30/16/09/980301609.db2.gz KILIYZMPRRCNTP-RDJZCZTQSA-N -1 3 326.400 2.775 20 30 EFEDHM CC[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC001595276771 980301659 /nfs/dbraw/zinc/30/16/59/980301659.db2.gz KILIYZMPRRCNTP-WBVHZDCISA-N -1 3 326.400 2.775 20 30 EFEDHM CC[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC001595276769 980301807 /nfs/dbraw/zinc/30/18/07/980301807.db2.gz KILIYZMPRRCNTP-NVXWUHKLSA-N -1 3 326.400 2.775 20 30 EFEDHM C#CCCOc1ccc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000901785850 980515566 /nfs/dbraw/zinc/51/55/66/980515566.db2.gz FTRCCXKWNLKHLI-MRXNPFEDSA-N -1 3 341.329 2.928 20 30 EFEDHM C=CCOc1ccc(CN2CCSC[C@@H](C(=O)[O-])C2)cc1OC ZINC000901889479 980602861 /nfs/dbraw/zinc/60/28/61/980602861.db2.gz ACODYDDPXILIFF-AWEZNQCLSA-N -1 3 337.441 2.510 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCCN(Cc3ccc(C(=O)[O-])cc3)C2)nc1 ZINC000903709350 981017722 /nfs/dbraw/zinc/01/77/22/981017722.db2.gz GJBJPEAHVOYQLD-QGZVFWFLSA-N -1 3 336.395 2.728 20 30 EFEDHM CC[C@H](C)N[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccco1 ZINC001594994512 982877449 /nfs/dbraw/zinc/87/74/49/982877449.db2.gz NGBSRVSWDSVUCV-NHYWBVRUSA-N -1 3 328.372 2.786 20 30 EFEDHM C#CCOc1ccc(CNCc2ccc(O[C@H](C)C(=O)[O-])cc2)cc1 ZINC001588497350 983537868 /nfs/dbraw/zinc/53/78/68/983537868.db2.gz AAFZZORWDMDZJU-OAHLLOKOSA-N -1 3 339.391 2.840 20 30 EFEDHM C=CCCC[C@@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC001588797857 984231842 /nfs/dbraw/zinc/23/18/42/984231842.db2.gz MQBCLIUEDYLDCN-GOSISDBHSA-N -1 3 344.455 2.997 20 30 EFEDHM C=CCOC[C@@H](NCc1ccc(Oc2ccc(F)cc2)nc1)C(=O)[O-] ZINC001588865685 984419047 /nfs/dbraw/zinc/41/90/47/984419047.db2.gz AVLLILQACMOLJF-MRXNPFEDSA-N -1 3 346.358 2.758 20 30 EFEDHM C=CCOC[C@H](NCc1cccc(C)c1Br)C(=O)[O-] ZINC001588867020 984429852 /nfs/dbraw/zinc/42/98/52/984429852.db2.gz XQTAITRQKADYMG-LBPRGKRZSA-N -1 3 328.206 2.503 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC001589335365 986208818 /nfs/dbraw/zinc/20/88/18/986208818.db2.gz PBTUMUIOWPEQEP-YVEFUNNKSA-N -1 3 326.352 2.599 20 30 EFEDHM CN1CC[C@@H](NCc2cccc(C(=O)[O-])c2C#N)[C@@H]1c1ccccc1 ZINC001598588535 993418409 /nfs/dbraw/zinc/41/84/09/993418409.db2.gz ZNGQDIWCOOEFLX-MOPGFXCFSA-N -1 3 335.407 2.791 20 30 EFEDHM CN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC001598610778 993768648 /nfs/dbraw/zinc/76/86/48/993768648.db2.gz FECORNNZTKHUES-UXHICEINSA-N -1 3 349.434 2.543 20 30 EFEDHM COc1cc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1O ZINC001599406281 997307437 /nfs/dbraw/zinc/30/74/37/997307437.db2.gz XRXMXTUGJWXOLJ-KRWDZBQOSA-N -1 3 326.352 2.530 20 30 EFEDHM COc1cc(CN[C@@](C)(C(=O)[O-])c2ccc(F)cc2)ccc1C#N ZINC001599416377 997520223 /nfs/dbraw/zinc/52/02/23/997520223.db2.gz VVUNQVWEZFWENI-GOSISDBHSA-N -1 3 328.343 2.796 20 30 EFEDHM CO[C@@H]1CCC[C@@H]([C@H](NCC#Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001599109800 997544958 /nfs/dbraw/zinc/54/49/58/997544958.db2.gz KWIJBLAURHVCAM-OIISXLGYSA-N -1 3 335.831 2.940 20 30 EFEDHM COc1ccc([C@@H](N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C2CC2)cn1 ZINC001599529181 997618784 /nfs/dbraw/zinc/61/87/84/997618784.db2.gz VHCGPUXSROPMPV-ZWKOTPCHSA-N -1 3 337.379 2.828 20 30 EFEDHM CC1/C(=C\c2ccc(C(=O)[O-])cc2C(F)(F)F)C(=O)c2ncnn21 ZINC001594120554 998271884 /nfs/dbraw/zinc/27/18/84/998271884.db2.gz OQGHHXRMYWGRGF-KMFAHORVSA-N -1 3 337.257 2.836 20 30 EFEDHM CC1/C(=C/c2ccc(C(=O)[O-])cc2C(F)(F)F)C(=O)c2ncnn21 ZINC001594120552 998272185 /nfs/dbraw/zinc/27/21/85/998272185.db2.gz OQGHHXRMYWGRGF-GDRUQYFBSA-N -1 3 337.257 2.836 20 30 EFEDHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(CC#N)cc2)C1 ZINC001647163750 1089021563 /nfs/dbraw/zinc/02/15/63/1089021563.db2.gz XGDPHRRUAIDKHM-UHFFFAOYSA-N -1 3 341.436 2.541 20 30 EFEDHM CCCCCCCNC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001577504973 1090016580 /nfs/dbraw/zinc/01/65/80/1090016580.db2.gz HECBMMREUVRORZ-MRXNPFEDSA-N -1 3 342.447 2.604 20 30 EFEDHM CCCCCCCNC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001577504973 1090016593 /nfs/dbraw/zinc/01/65/93/1090016593.db2.gz HECBMMREUVRORZ-MRXNPFEDSA-N -1 3 342.447 2.604 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2coc(C#N)c2)c1-c1nnn[n-]1 ZINC001578492614 1090385643 /nfs/dbraw/zinc/38/56/43/1090385643.db2.gz BCZPOZVWTRDRKX-UHFFFAOYSA-N -1 3 328.357 2.516 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2coc(C#N)c2)c1-c1nn[n-]n1 ZINC001578492614 1090385651 /nfs/dbraw/zinc/38/56/51/1090385651.db2.gz BCZPOZVWTRDRKX-UHFFFAOYSA-N -1 3 328.357 2.516 20 30 EFEDHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)c(Cl)c1 ZINC001578926005 1090478605 /nfs/dbraw/zinc/47/86/05/1090478605.db2.gz FAXXVUUXKGGNOM-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)c(Cl)c1 ZINC001578926005 1090478610 /nfs/dbraw/zinc/47/86/10/1090478610.db2.gz FAXXVUUXKGGNOM-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM C[C@@H](OC(=O)Cc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001580310711 1090858114 /nfs/dbraw/zinc/85/81/14/1090858114.db2.gz IFTLJRYFVAGWDL-GFCCVEGCSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@@H](OC(=O)Cc1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001580310711 1090858119 /nfs/dbraw/zinc/85/81/19/1090858119.db2.gz IFTLJRYFVAGWDL-GFCCVEGCSA-N -1 3 333.351 2.585 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001580526210 1090934232 /nfs/dbraw/zinc/93/42/32/1090934232.db2.gz LOLBNYDKOIJZRM-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001580526210 1090934235 /nfs/dbraw/zinc/93/42/35/1090934235.db2.gz LOLBNYDKOIJZRM-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC001580612343 1090966796 /nfs/dbraw/zinc/96/67/96/1090966796.db2.gz MRARGFFDGBVVHW-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC001580612343 1090966800 /nfs/dbraw/zinc/96/68/00/1090966800.db2.gz MRARGFFDGBVVHW-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1cc(C#N)sc1[N+](=O)[O-] ZINC001580624347 1090971750 /nfs/dbraw/zinc/97/17/50/1090971750.db2.gz QLDZBZBNWCXLJR-UHFFFAOYSA-N -1 3 328.313 2.809 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1cc(C#N)sc1[N+](=O)[O-] ZINC001580624347 1090971754 /nfs/dbraw/zinc/97/17/54/1090971754.db2.gz QLDZBZBNWCXLJR-UHFFFAOYSA-N -1 3 328.313 2.809 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(C#N)cc2C2CC2)ncc1-c1nnn[n-]1 ZINC001580885022 1091034642 /nfs/dbraw/zinc/03/46/42/1091034642.db2.gz AKFZUSNOESJZNH-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(C#N)cc2C2CC2)ncc1-c1nn[n-]n1 ZINC001580885022 1091034646 /nfs/dbraw/zinc/03/46/46/1091034646.db2.gz AKFZUSNOESJZNH-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(C(C)C)n1 ZINC001581174574 1091085781 /nfs/dbraw/zinc/08/57/81/1091085781.db2.gz WVLXBHOITXUFDK-UHFFFAOYSA-N -1 3 347.382 2.818 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(C(C)C)n1 ZINC001581174574 1091085787 /nfs/dbraw/zinc/08/57/87/1091085787.db2.gz WVLXBHOITXUFDK-UHFFFAOYSA-N -1 3 347.382 2.818 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC001581873136 1091326913 /nfs/dbraw/zinc/32/69/13/1091326913.db2.gz RDRCSRRUBMGSPC-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC001581873136 1091326923 /nfs/dbraw/zinc/32/69/23/1091326923.db2.gz RDRCSRRUBMGSPC-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)cc1-c1nnn[n-]1 ZINC001581872618 1091327685 /nfs/dbraw/zinc/32/76/85/1091327685.db2.gz GAIIYQRUSTTXEY-QAPCUYQASA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@]2(F)c2ccccc2)cc1-c1nn[n-]n1 ZINC001581872618 1091327697 /nfs/dbraw/zinc/32/76/97/1091327697.db2.gz GAIIYQRUSTTXEY-QAPCUYQASA-N -1 3 348.341 2.562 20 30 EFEDHM COc1cccc(S([O-])=CC(=O)O[C@@H](CC#N)c2ccco2)c1 ZINC001649267912 1092284723 /nfs/dbraw/zinc/28/47/23/1092284723.db2.gz VWGPTCWPQJVZLC-NPMXOYFQSA-N -1 3 333.365 2.594 20 30 EFEDHM COc1cc(NC(=O)c2cnc3ccccc3c2[O-])c(F)cc1C#N ZINC001588232624 1092906009 /nfs/dbraw/zinc/90/60/09/1092906009.db2.gz OGSBCSMQEMQGIF-UHFFFAOYSA-N -1 3 337.310 2.800 20 30 EFEDHM C#C[C@H](CC)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588325980 1092922399 /nfs/dbraw/zinc/92/23/99/1092922399.db2.gz AWRUSSFVLCNELJ-LLVKDONJSA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@H](CC)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588325980 1092922405 /nfs/dbraw/zinc/92/24/05/1092922405.db2.gz AWRUSSFVLCNELJ-LLVKDONJSA-N -1 3 342.403 2.577 20 30 EFEDHM C#CCC(C)(C)COC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588331110 1092924708 /nfs/dbraw/zinc/92/47/08/1092924708.db2.gz KGHIYOHVXHCDIT-CYBMUJFWSA-N -1 3 326.400 2.638 20 30 EFEDHM C#CCC(C)(C)COC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588331110 1092924714 /nfs/dbraw/zinc/92/47/14/1092924714.db2.gz KGHIYOHVXHCDIT-CYBMUJFWSA-N -1 3 326.400 2.638 20 30 EFEDHM C#C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)cc1F ZINC001588328905 1092926163 /nfs/dbraw/zinc/92/61/63/1092926163.db2.gz TUUCMXPTFAJNNC-CYBMUJFWSA-N -1 3 328.738 2.841 20 30 EFEDHM C#C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)cc1F ZINC001588328905 1092926173 /nfs/dbraw/zinc/92/61/73/1092926173.db2.gz TUUCMXPTFAJNNC-CYBMUJFWSA-N -1 3 328.738 2.841 20 30 EFEDHM C#C[C@@H](CC)NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588326463 1092926228 /nfs/dbraw/zinc/92/62/28/1092926228.db2.gz MKBQUDYOJYGOMQ-VIFPVBQESA-N -1 3 332.433 2.759 20 30 EFEDHM C#C[C@@H](CC)NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588326463 1092926237 /nfs/dbraw/zinc/92/62/37/1092926237.db2.gz MKBQUDYOJYGOMQ-VIFPVBQESA-N -1 3 332.433 2.759 20 30 EFEDHM C#CC[C@@H](CCOC)Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588330789 1092926712 /nfs/dbraw/zinc/92/67/12/1092926712.db2.gz FBSFECHSRDUSAD-JTQLQIEISA-N -1 3 339.321 2.726 20 30 EFEDHM C#CC[C@@H](CCOC)Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588330789 1092926722 /nfs/dbraw/zinc/92/67/22/1092926722.db2.gz FBSFECHSRDUSAD-JTQLQIEISA-N -1 3 339.321 2.726 20 30 EFEDHM C#C[C@H](Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC001588329005 1092926951 /nfs/dbraw/zinc/92/69/51/1092926951.db2.gz VSXIPNNGSACOHX-AWEZNQCLSA-N -1 3 334.339 2.870 20 30 EFEDHM C#C[C@H](Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccccc1 ZINC001588329005 1092926959 /nfs/dbraw/zinc/92/69/59/1092926959.db2.gz VSXIPNNGSACOHX-AWEZNQCLSA-N -1 3 334.339 2.870 20 30 EFEDHM C#CC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC001588331121 1092926972 /nfs/dbraw/zinc/92/69/72/1092926972.db2.gz OHODTSDNIRSSCR-UHFFFAOYSA-N -1 3 338.802 2.918 20 30 EFEDHM C#CC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC001588331121 1092926979 /nfs/dbraw/zinc/92/69/79/1092926979.db2.gz OHODTSDNIRSSCR-UHFFFAOYSA-N -1 3 338.802 2.918 20 30 EFEDHM C#C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC001588329405 1092927256 /nfs/dbraw/zinc/92/72/56/1092927256.db2.gz FVPXCGWFVHIERQ-HNNXBMFYSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC001588329405 1092927263 /nfs/dbraw/zinc/92/72/63/1092927263.db2.gz FVPXCGWFVHIERQ-HNNXBMFYSA-N -1 3 336.330 2.502 20 30 EFEDHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001588337246 1092929451 /nfs/dbraw/zinc/92/94/51/1092929451.db2.gz LODCWJLOFWSBJV-GFCCVEGCSA-N -1 3 336.399 2.621 20 30 EFEDHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001588337246 1092929454 /nfs/dbraw/zinc/92/94/54/1092929454.db2.gz LODCWJLOFWSBJV-GFCCVEGCSA-N -1 3 336.399 2.621 20 30 EFEDHM C#CCCC[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588341306 1092929830 /nfs/dbraw/zinc/92/98/30/1092929830.db2.gz DHLJMZSVGGBBIH-CYBMUJFWSA-N -1 3 342.399 2.759 20 30 EFEDHM C#CCCC[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588341306 1092929833 /nfs/dbraw/zinc/92/98/33/1092929833.db2.gz DHLJMZSVGGBBIH-CYBMUJFWSA-N -1 3 342.399 2.759 20 30 EFEDHM C#CCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588341031 1092929876 /nfs/dbraw/zinc/92/98/76/1092929876.db2.gz RZJIJWIKORHUBU-UHFFFAOYSA-N -1 3 348.366 2.796 20 30 EFEDHM C#CCCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588341031 1092929887 /nfs/dbraw/zinc/92/98/87/1092929887.db2.gz RZJIJWIKORHUBU-UHFFFAOYSA-N -1 3 348.366 2.796 20 30 EFEDHM C#CC[C@H]1CCCN(C(=O)Nc2scc(C)c2-c2nnn[n-]2)C1 ZINC001588335406 1092930198 /nfs/dbraw/zinc/93/01/98/1092930198.db2.gz LUFAVGMXXCCRAG-NSHDSACASA-N -1 3 330.417 2.504 20 30 EFEDHM C#CC[C@H]1CCCN(C(=O)Nc2scc(C)c2-c2nn[n-]n2)C1 ZINC001588335406 1092930207 /nfs/dbraw/zinc/93/02/07/1092930207.db2.gz LUFAVGMXXCCRAG-NSHDSACASA-N -1 3 330.417 2.504 20 30 EFEDHM C#CCC1(C(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)CCCCC1 ZINC001588334677 1092930226 /nfs/dbraw/zinc/93/02/26/1092930226.db2.gz FYCIGPQXPGKWCK-QGZVFWFLSA-N -1 3 349.438 2.944 20 30 EFEDHM C#CCC1(C(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)CCCCC1 ZINC001588334677 1092930236 /nfs/dbraw/zinc/93/02/36/1092930236.db2.gz FYCIGPQXPGKWCK-QGZVFWFLSA-N -1 3 349.438 2.944 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001588334148 1092930258 /nfs/dbraw/zinc/93/02/58/1092930258.db2.gz PJGUSGXISHSGNO-MRXNPFEDSA-N -1 3 344.422 2.797 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001588334148 1092930270 /nfs/dbraw/zinc/93/02/70/1092930270.db2.gz PJGUSGXISHSGNO-MRXNPFEDSA-N -1 3 344.422 2.797 20 30 EFEDHM C#CCCCCCC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588344481 1092931259 /nfs/dbraw/zinc/93/12/59/1092931259.db2.gz RSODPLOWJAJZGH-CQSZACIVSA-N -1 3 325.416 2.970 20 30 EFEDHM C#CCCCCCC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588344481 1092931268 /nfs/dbraw/zinc/93/12/68/1092931268.db2.gz RSODPLOWJAJZGH-CQSZACIVSA-N -1 3 325.416 2.970 20 30 EFEDHM C#CCCOc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001588347845 1092931938 /nfs/dbraw/zinc/93/19/38/1092931938.db2.gz XWKWVUFIGACCFH-UHFFFAOYSA-N -1 3 333.351 2.521 20 30 EFEDHM C#CCCOc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001588347845 1092931945 /nfs/dbraw/zinc/93/19/45/1092931945.db2.gz XWKWVUFIGACCFH-UHFFFAOYSA-N -1 3 333.351 2.521 20 30 EFEDHM C#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001588345178 1092932338 /nfs/dbraw/zinc/93/23/38/1092932338.db2.gz UBURWYIGOCVRAT-UHFFFAOYSA-N -1 3 338.415 2.963 20 30 EFEDHM C#CCOc1ccc(COC(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC001588362030 1092933051 /nfs/dbraw/zinc/93/30/51/1092933051.db2.gz PDVVAUDGNQMMPE-UHFFFAOYSA-N -1 3 348.362 2.544 20 30 EFEDHM C#CCOc1ccc(COC(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC001588362030 1092933059 /nfs/dbraw/zinc/93/30/59/1092933059.db2.gz PDVVAUDGNQMMPE-UHFFFAOYSA-N -1 3 348.362 2.544 20 30 EFEDHM C#Cc1cc(F)c(NCc2cccc(-c3nnn[n-]3)c2F)c(F)c1 ZINC001588364358 1092933893 /nfs/dbraw/zinc/93/38/93/1092933893.db2.gz BRESYRDJCXEKTK-UHFFFAOYSA-N -1 3 329.285 2.877 20 30 EFEDHM C#Cc1cc(F)c(NCc2cccc(-c3nn[n-]n3)c2F)c(F)c1 ZINC001588364358 1092933900 /nfs/dbraw/zinc/93/39/00/1092933900.db2.gz BRESYRDJCXEKTK-UHFFFAOYSA-N -1 3 329.285 2.877 20 30 EFEDHM C#Cc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)c(Cl)c1 ZINC001588374927 1092934306 /nfs/dbraw/zinc/93/43/06/1092934306.db2.gz WPZNRCUDJYIDDD-UHFFFAOYSA-N -1 3 329.772 2.815 20 30 EFEDHM C#Cc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)c(Cl)c1 ZINC001588374927 1092934314 /nfs/dbraw/zinc/93/43/14/1092934314.db2.gz WPZNRCUDJYIDDD-UHFFFAOYSA-N -1 3 329.772 2.815 20 30 EFEDHM C#Cc1ccc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC001588373432 1092935201 /nfs/dbraw/zinc/93/52/01/1092935201.db2.gz JOWYPPCFUNCQKW-UHFFFAOYSA-N -1 3 329.363 2.518 20 30 EFEDHM C#Cc1ccc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC001588373432 1092935212 /nfs/dbraw/zinc/93/52/12/1092935212.db2.gz JOWYPPCFUNCQKW-UHFFFAOYSA-N -1 3 329.363 2.518 20 30 EFEDHM C#C[C@H]1CC[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001588364549 1092935297 /nfs/dbraw/zinc/93/52/97/1092935297.db2.gz GCIANGUDFAPQGP-MGCOHNPYSA-N -1 3 330.323 2.518 20 30 EFEDHM C#C[C@H]1CC[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001588364549 1092935305 /nfs/dbraw/zinc/93/53/05/1092935305.db2.gz GCIANGUDFAPQGP-MGCOHNPYSA-N -1 3 330.323 2.518 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588376890 1092935395 /nfs/dbraw/zinc/93/53/95/1092935395.db2.gz MEZTZQXLMWYYHR-UHFFFAOYSA-N -1 3 337.770 2.683 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588376890 1092935407 /nfs/dbraw/zinc/93/54/07/1092935407.db2.gz MEZTZQXLMWYYHR-UHFFFAOYSA-N -1 3 337.770 2.683 20 30 EFEDHM C(=NOCC1CCC1)c1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001588384302 1092938930 /nfs/dbraw/zinc/93/89/30/1092938930.db2.gz DLVDTTLTFRJMNN-UHFFFAOYSA-N -1 3 336.399 2.867 20 30 EFEDHM C(=NOCC1CCC1)c1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001588384302 1092938939 /nfs/dbraw/zinc/93/89/39/1092938939.db2.gz DLVDTTLTFRJMNN-UHFFFAOYSA-N -1 3 336.399 2.867 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588400695 1092939903 /nfs/dbraw/zinc/93/99/03/1092939903.db2.gz DRJKSMRVSQKZKD-MFKMUULPSA-N -1 3 334.811 2.617 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588400695 1092939912 /nfs/dbraw/zinc/93/99/12/1092939912.db2.gz DRJKSMRVSQKZKD-MFKMUULPSA-N -1 3 334.811 2.617 20 30 EFEDHM C=C(C)C(C)(C)C(=O)NCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588394425 1092940724 /nfs/dbraw/zinc/94/07/24/1092940724.db2.gz CSVORZAEXQKYSI-UHFFFAOYSA-N -1 3 346.410 2.526 20 30 EFEDHM C=C(C)C(C)(C)C(=O)NCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588394425 1092940732 /nfs/dbraw/zinc/94/07/32/1092940732.db2.gz CSVORZAEXQKYSI-UHFFFAOYSA-N -1 3 346.410 2.526 20 30 EFEDHM C=C(C)CCC(=O)N[C@@H](C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588416686 1092942107 /nfs/dbraw/zinc/94/21/07/1092942107.db2.gz YKOQYVJVRUXEKM-LBPRGKRZSA-N -1 3 346.410 2.669 20 30 EFEDHM C=C(C)CCC(=O)N[C@@H](C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588416686 1092942122 /nfs/dbraw/zinc/94/21/22/1092942122.db2.gz YKOQYVJVRUXEKM-LBPRGKRZSA-N -1 3 346.410 2.669 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588401637 1092943047 /nfs/dbraw/zinc/94/30/47/1092943047.db2.gz WDTGQBKZPFDJIC-CYBMUJFWSA-N -1 3 325.416 2.960 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588401637 1092943058 /nfs/dbraw/zinc/94/30/58/1092943058.db2.gz WDTGQBKZPFDJIC-CYBMUJFWSA-N -1 3 325.416 2.960 20 30 EFEDHM C=C(C)CN(CC)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588426586 1092943920 /nfs/dbraw/zinc/94/39/20/1092943920.db2.gz ZWHQELVQRDDSDF-INIZCTEOSA-N -1 3 340.431 2.852 20 30 EFEDHM C=C(C)CN(CC)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588426586 1092943926 /nfs/dbraw/zinc/94/39/26/1092943926.db2.gz ZWHQELVQRDDSDF-INIZCTEOSA-N -1 3 340.431 2.852 20 30 EFEDHM C=C(C)CNC(=S)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588431298 1092943969 /nfs/dbraw/zinc/94/39/69/1092943969.db2.gz YSTJIGLJUVEMKG-UHFFFAOYSA-N -1 3 330.461 2.529 20 30 EFEDHM C=C(C)CNC(=S)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588431298 1092943979 /nfs/dbraw/zinc/94/39/79/1092943979.db2.gz YSTJIGLJUVEMKG-UHFFFAOYSA-N -1 3 330.461 2.529 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588425744 1092944062 /nfs/dbraw/zinc/94/40/62/1092944062.db2.gz RVMNAAXEAVVDDU-MRXNPFEDSA-N -1 3 343.431 2.695 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588425744 1092944071 /nfs/dbraw/zinc/94/40/71/1092944071.db2.gz RVMNAAXEAVVDDU-MRXNPFEDSA-N -1 3 343.431 2.695 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC001588425711 1092944436 /nfs/dbraw/zinc/94/44/36/1092944436.db2.gz PZBBNSWJHLKZOQ-NSHDSACASA-N -1 3 349.435 2.911 20 30 EFEDHM C=C(C)CN(CC)C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588425621 1092945877 /nfs/dbraw/zinc/94/58/77/1092945877.db2.gz KHKDJIPVWQHJOD-UHFFFAOYSA-N -1 3 331.395 2.708 20 30 EFEDHM C=C(C)CN(CC)C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588425621 1092945888 /nfs/dbraw/zinc/94/58/88/1092945888.db2.gz KHKDJIPVWQHJOD-UHFFFAOYSA-N -1 3 331.395 2.708 20 30 EFEDHM C=C(CC(C)C)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588442732 1092946887 /nfs/dbraw/zinc/94/68/87/1092946887.db2.gz QYFQGTIAFYLRNJ-UHFFFAOYSA-N -1 3 325.416 2.964 20 30 EFEDHM C=C(CC(C)C)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588442732 1092946895 /nfs/dbraw/zinc/94/68/95/1092946895.db2.gz QYFQGTIAFYLRNJ-UHFFFAOYSA-N -1 3 325.416 2.964 20 30 EFEDHM C=C(CNc1nnc(CC)c(CC)c1-c1nnn[n-]1)c1ccccc1 ZINC001588444126 1092946971 /nfs/dbraw/zinc/94/69/71/1092946971.db2.gz LPYKMAGJRRGXNW-UHFFFAOYSA-N -1 3 335.415 2.907 20 30 EFEDHM C=C(CNc1nnc(CC)c(CC)c1-c1nn[n-]n1)c1ccccc1 ZINC001588444126 1092946981 /nfs/dbraw/zinc/94/69/81/1092946981.db2.gz LPYKMAGJRRGXNW-UHFFFAOYSA-N -1 3 335.415 2.907 20 30 EFEDHM C=C1CC(C)(c2noc(C3(c4ccc(-c5nnn[n-]5)cc4)CC3)n2)C1 ZINC001588456330 1092947271 /nfs/dbraw/zinc/94/72/71/1092947271.db2.gz LNCYWTSZAZQUDN-UHFFFAOYSA-N -1 3 334.383 2.937 20 30 EFEDHM C=C1CC(C)(c2noc(C3(c4ccc(-c5nn[n-]n5)cc4)CC3)n2)C1 ZINC001588456330 1092947281 /nfs/dbraw/zinc/94/72/81/1092947281.db2.gz LNCYWTSZAZQUDN-UHFFFAOYSA-N -1 3 334.383 2.937 20 30 EFEDHM C=C1CC(c2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC001588456904 1092947362 /nfs/dbraw/zinc/94/73/62/1092947362.db2.gz ZOXJDHQOPKNSTB-UHFFFAOYSA-N -1 3 326.385 2.976 20 30 EFEDHM C=C1CC(c2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC001588456904 1092947372 /nfs/dbraw/zinc/94/73/72/1092947372.db2.gz ZOXJDHQOPKNSTB-UHFFFAOYSA-N -1 3 326.385 2.976 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001588442536 1092948163 /nfs/dbraw/zinc/94/81/63/1092948163.db2.gz IQGZGOACLMMLTD-KBPBESRZSA-N -1 3 348.790 2.545 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001588442536 1092948171 /nfs/dbraw/zinc/94/81/71/1092948171.db2.gz IQGZGOACLMMLTD-KBPBESRZSA-N -1 3 348.790 2.545 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588487451 1092950957 /nfs/dbraw/zinc/95/09/57/1092950957.db2.gz RGUYSVHPHAZYTP-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588487451 1092950968 /nfs/dbraw/zinc/95/09/68/1092950968.db2.gz RGUYSVHPHAZYTP-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CC(C)(C)CCNC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588487556 1092951411 /nfs/dbraw/zinc/95/14/11/1092951411.db2.gz USOPSYUNNYAJOK-UHFFFAOYSA-N -1 3 348.838 2.922 20 30 EFEDHM C=CC(C)(C)CCNC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588487556 1092951422 /nfs/dbraw/zinc/95/14/22/1092951422.db2.gz USOPSYUNNYAJOK-UHFFFAOYSA-N -1 3 348.838 2.922 20 30 EFEDHM C=CC(C)(C)CNc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001588488602 1092951548 /nfs/dbraw/zinc/95/15/48/1092951548.db2.gz JZPSOYNYNAFLHS-UHFFFAOYSA-N -1 3 348.332 2.878 20 30 EFEDHM C=CC(C)(C)CNc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001588488602 1092951558 /nfs/dbraw/zinc/95/15/58/1092951558.db2.gz JZPSOYNYNAFLHS-UHFFFAOYSA-N -1 3 348.332 2.878 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588498476 1092952232 /nfs/dbraw/zinc/95/22/32/1092952232.db2.gz ADICVILYXHEVIT-OAHLLOKOSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588498476 1092952242 /nfs/dbraw/zinc/95/22/42/1092952242.db2.gz ADICVILYXHEVIT-OAHLLOKOSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001588518501 1092953870 /nfs/dbraw/zinc/95/38/70/1092953870.db2.gz DSRFPCQYTQMMKM-GFCCVEGCSA-N -1 3 339.424 2.904 20 30 EFEDHM C=CCC(C)(C)c1noc(CNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001588539389 1092954694 /nfs/dbraw/zinc/95/46/94/1092954694.db2.gz JHQNDCMTWDFENG-UHFFFAOYSA-N -1 3 325.376 2.716 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588541768 1092955112 /nfs/dbraw/zinc/95/51/12/1092955112.db2.gz RVIONWAQNFGSRJ-CZUORRHYSA-N -1 3 343.431 2.741 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588541768 1092955122 /nfs/dbraw/zinc/95/51/22/1092955122.db2.gz RVIONWAQNFGSRJ-CZUORRHYSA-N -1 3 343.431 2.741 20 30 EFEDHM C=CC[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001588530433 1092955278 /nfs/dbraw/zinc/95/52/78/1092955278.db2.gz LSWNRBNUJQLVBX-AWEZNQCLSA-N -1 3 339.424 2.904 20 30 EFEDHM C=CC[C@@H](C(=O)Nc1cc(-c2nnn[n-]2)cc(C)n1)c1ccccc1 ZINC001588532362 1092955820 /nfs/dbraw/zinc/95/58/20/1092955820.db2.gz SYOLMISRSDSRGW-OAHLLOKOSA-N -1 3 334.383 2.869 20 30 EFEDHM C=CC[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1)c1ccccc1 ZINC001588532362 1092955826 /nfs/dbraw/zinc/95/58/26/1092955826.db2.gz SYOLMISRSDSRGW-OAHLLOKOSA-N -1 3 334.383 2.869 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588546025 1092957279 /nfs/dbraw/zinc/95/72/79/1092957279.db2.gz VBHOKWSIZAQUFY-SFHVURJKSA-N -1 3 347.422 2.713 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588546025 1092957283 /nfs/dbraw/zinc/95/72/83/1092957283.db2.gz VBHOKWSIZAQUFY-SFHVURJKSA-N -1 3 347.422 2.713 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588545906 1092957302 /nfs/dbraw/zinc/95/73/02/1092957302.db2.gz RBHAFZWSHOFPSR-OAHLLOKOSA-N -1 3 349.398 2.571 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588545906 1092957305 /nfs/dbraw/zinc/95/73/05/1092957305.db2.gz RBHAFZWSHOFPSR-OAHLLOKOSA-N -1 3 349.398 2.571 20 30 EFEDHM C=CCC(F)(F)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588545252 1092957458 /nfs/dbraw/zinc/95/74/58/1092957458.db2.gz BYKBTPXXWOOJDR-UHFFFAOYSA-N -1 3 333.342 2.574 20 30 EFEDHM C=CCC(F)(F)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588545252 1092957464 /nfs/dbraw/zinc/95/74/64/1092957464.db2.gz BYKBTPXXWOOJDR-UHFFFAOYSA-N -1 3 333.342 2.574 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588545771 1092957478 /nfs/dbraw/zinc/95/74/78/1092957478.db2.gz NPNREIMEEGRKLR-UHFFFAOYSA-N -1 3 337.330 2.804 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588545771 1092957481 /nfs/dbraw/zinc/95/74/81/1092957481.db2.gz NPNREIMEEGRKLR-UHFFFAOYSA-N -1 3 337.330 2.804 20 30 EFEDHM C=CC[C@H](CCc1ccccc1)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588544568 1092958332 /nfs/dbraw/zinc/95/83/32/1092958332.db2.gz LKWSUABAGGUALM-OAHLLOKOSA-N -1 3 337.383 2.929 20 30 EFEDHM C=CC[C@H](CCc1ccccc1)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588544568 1092958337 /nfs/dbraw/zinc/95/83/37/1092958337.db2.gz LKWSUABAGGUALM-OAHLLOKOSA-N -1 3 337.383 2.929 20 30 EFEDHM C=CCC1(NC(=O)NCCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588557229 1092958385 /nfs/dbraw/zinc/95/83/85/1092958385.db2.gz IJGKEMHFDDCTAD-UHFFFAOYSA-N -1 3 340.431 2.597 20 30 EFEDHM C=CCC1(NC(=O)NCCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588557229 1092958391 /nfs/dbraw/zinc/95/83/91/1092958391.db2.gz IJGKEMHFDDCTAD-UHFFFAOYSA-N -1 3 340.431 2.597 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588546024 1092958913 /nfs/dbraw/zinc/95/89/13/1092958913.db2.gz VBHOKWSIZAQUFY-GOSISDBHSA-N -1 3 347.422 2.713 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588546024 1092958921 /nfs/dbraw/zinc/95/89/21/1092958921.db2.gz VBHOKWSIZAQUFY-GOSISDBHSA-N -1 3 347.422 2.713 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588563873 1092959851 /nfs/dbraw/zinc/95/98/51/1092959851.db2.gz DAZJNORVNJWOOI-ZDUSSCGKSA-N -1 3 342.403 2.836 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588563873 1092959860 /nfs/dbraw/zinc/95/98/60/1092959860.db2.gz DAZJNORVNJWOOI-ZDUSSCGKSA-N -1 3 342.403 2.836 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588561191 1092960066 /nfs/dbraw/zinc/96/00/66/1092960066.db2.gz YMASULDXIBQYMY-AWEZNQCLSA-N -1 3 339.443 2.959 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588561191 1092960075 /nfs/dbraw/zinc/96/00/75/1092960075.db2.gz YMASULDXIBQYMY-AWEZNQCLSA-N -1 3 339.443 2.959 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588561289 1092960531 /nfs/dbraw/zinc/96/05/31/1092960531.db2.gz ZATWJTXPLAAULO-OAHLLOKOSA-N -1 3 325.416 2.614 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588561289 1092960539 /nfs/dbraw/zinc/96/05/39/1092960539.db2.gz ZATWJTXPLAAULO-OAHLLOKOSA-N -1 3 325.416 2.614 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588563964 1092960783 /nfs/dbraw/zinc/96/07/83/1092960783.db2.gz GXPDUJUOGLYCFT-ZDUSSCGKSA-N -1 3 342.403 2.836 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588563964 1092960790 /nfs/dbraw/zinc/96/07/90/1092960790.db2.gz GXPDUJUOGLYCFT-ZDUSSCGKSA-N -1 3 342.403 2.836 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588561273 1092961001 /nfs/dbraw/zinc/96/10/01/1092961001.db2.gz YTOFBHPWTXJKRD-GOEBONIOSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588561273 1092961009 /nfs/dbraw/zinc/96/10/09/1092961009.db2.gz YTOFBHPWTXJKRD-GOEBONIOSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2CC)CCOCC1 ZINC001588557993 1092961305 /nfs/dbraw/zinc/96/13/05/1092961305.db2.gz YKOZTWQWGDSPCS-UHFFFAOYSA-N -1 3 342.399 2.707 20 30 EFEDHM C=CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2CC)CCOCC1 ZINC001588557993 1092961310 /nfs/dbraw/zinc/96/13/10/1092961310.db2.gz YKOZTWQWGDSPCS-UHFFFAOYSA-N -1 3 342.399 2.707 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588579910 1092963817 /nfs/dbraw/zinc/96/38/17/1092963817.db2.gz VJLHZWCDRYCFQV-AWEZNQCLSA-N -1 3 344.394 2.646 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588579910 1092963826 /nfs/dbraw/zinc/96/38/26/1092963826.db2.gz VJLHZWCDRYCFQV-AWEZNQCLSA-N -1 3 344.394 2.646 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588580022 1092964574 /nfs/dbraw/zinc/96/45/74/1092964574.db2.gz XOYHSJHZIZXSKM-DZGCQCFKSA-N -1 3 341.415 2.591 20 30 EFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001588593758 1092965547 /nfs/dbraw/zinc/96/55/47/1092965547.db2.gz IRLXFDGZPFFTFE-UHFFFAOYSA-N -1 3 349.460 2.542 20 30 EFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001588593758 1092965556 /nfs/dbraw/zinc/96/55/56/1092965556.db2.gz IRLXFDGZPFFTFE-UHFFFAOYSA-N -1 3 349.460 2.542 20 30 EFEDHM C=CCCCCCCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588594735 1092966099 /nfs/dbraw/zinc/96/60/99/1092966099.db2.gz ZXHXPAZNMPUYQU-UHFFFAOYSA-N -1 3 334.811 2.781 20 30 EFEDHM C=CCCCCCCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588594735 1092966109 /nfs/dbraw/zinc/96/61/09/1092966109.db2.gz ZXHXPAZNMPUYQU-UHFFFAOYSA-N -1 3 334.811 2.781 20 30 EFEDHM C=CCCCN(CC)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588601238 1092966400 /nfs/dbraw/zinc/96/64/00/1092966400.db2.gz FWEJLUARICOMSA-MRXNPFEDSA-N -1 3 340.431 2.852 20 30 EFEDHM C=CCCCN(CC)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588601238 1092966405 /nfs/dbraw/zinc/96/64/05/1092966405.db2.gz FWEJLUARICOMSA-MRXNPFEDSA-N -1 3 340.431 2.852 20 30 EFEDHM C=CCCCCCNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588596700 1092967716 /nfs/dbraw/zinc/96/77/16/1092967716.db2.gz YGLYGAUUNIAMOP-UHFFFAOYSA-N -1 3 325.416 2.761 20 30 EFEDHM C=CCCCCCNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588596700 1092967721 /nfs/dbraw/zinc/96/77/21/1092967721.db2.gz YGLYGAUUNIAMOP-UHFFFAOYSA-N -1 3 325.416 2.761 20 30 EFEDHM C=CCCCCNC(=O)NC(C)(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588596252 1092968377 /nfs/dbraw/zinc/96/83/77/1092968377.db2.gz KWUBGKDCUVTKLW-UHFFFAOYSA-N -1 3 342.447 2.843 20 30 EFEDHM C=CCCCCNC(=O)NC(C)(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588596252 1092968389 /nfs/dbraw/zinc/96/83/89/1092968389.db2.gz KWUBGKDCUVTKLW-UHFFFAOYSA-N -1 3 342.447 2.843 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)OCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001588610991 1092968934 /nfs/dbraw/zinc/96/89/34/1092968934.db2.gz PFDQHGCVXLQDLP-JTQLQIEISA-N -1 3 336.779 2.545 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)OCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001588610991 1092968940 /nfs/dbraw/zinc/96/89/40/1092968940.db2.gz PFDQHGCVXLQDLP-JTQLQIEISA-N -1 3 336.779 2.545 20 30 EFEDHM C=CCCn1cc(CSc2ccc(-c3nnn[n-]3)c(C)c2)nn1 ZINC001588626148 1092970544 /nfs/dbraw/zinc/97/05/44/1092970544.db2.gz UTGPLWRTLWWSKI-UHFFFAOYSA-N -1 3 327.417 2.635 20 30 EFEDHM C=CCCn1cc(CSc2ccc(-c3nn[n-]n3)c(C)c2)nn1 ZINC001588626148 1092970552 /nfs/dbraw/zinc/97/05/52/1092970552.db2.gz UTGPLWRTLWWSKI-UHFFFAOYSA-N -1 3 327.417 2.635 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)C1CCC1 ZINC001588638406 1092971628 /nfs/dbraw/zinc/97/16/28/1092971628.db2.gz CAEZEEIQBIVULU-CYBMUJFWSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)C1CCC1 ZINC001588638406 1092971635 /nfs/dbraw/zinc/97/16/35/1092971635.db2.gz CAEZEEIQBIVULU-CYBMUJFWSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CC(C)(C)C1 ZINC001588639166 1092971951 /nfs/dbraw/zinc/97/19/51/1092971951.db2.gz OQCABYAETMALHH-UHFFFAOYSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CC(C)(C)C1 ZINC001588639166 1092971958 /nfs/dbraw/zinc/97/19/58/1092971958.db2.gz OQCABYAETMALHH-UHFFFAOYSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@@H]1C ZINC001588640085 1092971975 /nfs/dbraw/zinc/97/19/75/1092971975.db2.gz JQLCSXRAEPACHG-AWEZNQCLSA-N -1 3 340.431 2.849 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@@H]1C ZINC001588640085 1092971986 /nfs/dbraw/zinc/97/19/86/1092971986.db2.gz JQLCSXRAEPACHG-AWEZNQCLSA-N -1 3 340.431 2.849 20 30 EFEDHM C=CCN(CCC#N)Cc1ccc(Br)cc1-c1nnn[n-]1 ZINC001588632464 1092973549 /nfs/dbraw/zinc/97/35/49/1092973549.db2.gz RWPBYSLQKFNCCA-UHFFFAOYSA-N -1 3 347.220 2.531 20 30 EFEDHM C=CCN(CCC#N)Cc1ccc(Br)cc1-c1nn[n-]n1 ZINC001588632464 1092973554 /nfs/dbraw/zinc/97/35/54/1092973554.db2.gz RWPBYSLQKFNCCA-UHFFFAOYSA-N -1 3 347.220 2.531 20 30 EFEDHM C=CCN(Cc1cn(C)nc1C1CC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588648064 1092976931 /nfs/dbraw/zinc/97/69/31/1092976931.db2.gz FUBXDOFBWCMFBS-UHFFFAOYSA-N -1 3 349.442 2.666 20 30 EFEDHM C=CCOCCCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001588681695 1092977522 /nfs/dbraw/zinc/97/75/22/1092977522.db2.gz FTNFGARTZWGPIK-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=CCOCCCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001588681695 1092977531 /nfs/dbraw/zinc/97/75/31/1092977531.db2.gz FTNFGARTZWGPIK-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=CCO[C@H]1CCN(c2cc(-c3nnn[n-]3)ccc2C(F)(F)F)C1 ZINC001588665149 1092978230 /nfs/dbraw/zinc/97/82/30/1092978230.db2.gz GKXIHSUTYQFCDJ-NSHDSACASA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCO[C@H]1CCN(c2cc(-c3nn[n-]n3)ccc2C(F)(F)F)C1 ZINC001588665149 1092978242 /nfs/dbraw/zinc/97/82/42/1092978242.db2.gz GKXIHSUTYQFCDJ-NSHDSACASA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCNC(=O)c1ccccc1N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588663918 1092978780 /nfs/dbraw/zinc/97/87/80/1092978780.db2.gz QPNNXGNOZPEHFL-ZDUSSCGKSA-N -1 3 348.410 2.956 20 30 EFEDHM C=CCNC(=O)c1ccccc1N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588663918 1092978790 /nfs/dbraw/zinc/97/87/90/1092978790.db2.gz QPNNXGNOZPEHFL-ZDUSSCGKSA-N -1 3 348.410 2.956 20 30 EFEDHM C=CCn1c(C)cc(C(=O)COc2ccccc2-c2nnn[n-]2)c1C ZINC001588704037 1092979912 /nfs/dbraw/zinc/97/99/12/1092979912.db2.gz WFBMQGJYSQZAPA-UHFFFAOYSA-N -1 3 337.383 2.733 20 30 EFEDHM C=CCn1c(C)cc(C(=O)COc2ccccc2-c2nn[n-]n2)c1C ZINC001588704037 1092979930 /nfs/dbraw/zinc/97/99/30/1092979930.db2.gz WFBMQGJYSQZAPA-UHFFFAOYSA-N -1 3 337.383 2.733 20 30 EFEDHM C=CCOc1ccccc1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588690338 1092981394 /nfs/dbraw/zinc/98/13/94/1092981394.db2.gz ZFBKVVMIBXBABO-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCOc1ccccc1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588690338 1092981405 /nfs/dbraw/zinc/98/14/05/1092981405.db2.gz ZFBKVVMIBXBABO-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC001588780700 1092991260 /nfs/dbraw/zinc/99/12/60/1092991260.db2.gz KAQMWDWKEWFVQT-SNVBAGLBSA-N -1 3 340.309 2.710 20 30 EFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC001588780700 1092991271 /nfs/dbraw/zinc/99/12/71/1092991271.db2.gz KAQMWDWKEWFVQT-SNVBAGLBSA-N -1 3 340.309 2.710 20 30 EFEDHM Cc1nc(C#N)c(N=NC(C)c2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC001588781492 1092991554 /nfs/dbraw/zinc/99/15/54/1092991554.db2.gz FIFIPSOEFJEVHO-UHFFFAOYSA-N -1 3 342.750 2.524 20 30 EFEDHM Cc1nc(C#N)c(N=NC(C)c2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC001588781492 1092991566 /nfs/dbraw/zinc/99/15/66/1092991566.db2.gz FIFIPSOEFJEVHO-UHFFFAOYSA-N -1 3 342.750 2.524 20 30 EFEDHM CC(N=Nc1nccnc1C1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001588781312 1092992281 /nfs/dbraw/zinc/99/22/81/1092992281.db2.gz TVIVPDXUYSHINE-UHFFFAOYSA-N -1 3 334.387 2.760 20 30 EFEDHM CC(N=Nc1nccnc1C1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001588781312 1092992289 /nfs/dbraw/zinc/99/22/89/1092992289.db2.gz TVIVPDXUYSHINE-UHFFFAOYSA-N -1 3 334.387 2.760 20 30 EFEDHM CC(=NNCc1ccc(F)c(F)c1)c1ccccc1-c1nnn[n-]1 ZINC001588777145 1092993781 /nfs/dbraw/zinc/99/37/81/1092993781.db2.gz HBHXENBAIKHCTG-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1ccc(F)c(F)c1)c1ccccc1-c1nn[n-]n1 ZINC001588777145 1092993789 /nfs/dbraw/zinc/99/37/89/1092993789.db2.gz HBHXENBAIKHCTG-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM C[C@H](C#N)N(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC001588934402 1093013467 /nfs/dbraw/zinc/01/34/67/1093013467.db2.gz LGJAVEOXWTULBP-SECBINFHSA-N -1 3 347.220 2.506 20 30 EFEDHM C[C@H](C#N)N(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC001588934402 1093013471 /nfs/dbraw/zinc/01/34/71/1093013471.db2.gz LGJAVEOXWTULBP-SECBINFHSA-N -1 3 347.220 2.506 20 30 EFEDHM C[C@@H](C#N)Oc1ccccc1NCc1cccc(F)c1-c1nnn[n-]1 ZINC001588937387 1093016199 /nfs/dbraw/zinc/01/61/99/1093016199.db2.gz ZWRXWPQQUZAKPN-NSHDSACASA-N -1 3 338.346 2.909 20 30 EFEDHM C[C@@H](C#N)Oc1ccccc1NCc1cccc(F)c1-c1nn[n-]n1 ZINC001588937387 1093016207 /nfs/dbraw/zinc/01/62/07/1093016207.db2.gz ZWRXWPQQUZAKPN-NSHDSACASA-N -1 3 338.346 2.909 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589033846 1093019333 /nfs/dbraw/zinc/01/93/33/1093019333.db2.gz LDJKGKAGYFAVRX-UHFFFAOYSA-N -1 3 339.399 2.771 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589033846 1093019342 /nfs/dbraw/zinc/01/93/42/1093019342.db2.gz LDJKGKAGYFAVRX-UHFFFAOYSA-N -1 3 339.399 2.771 20 30 EFEDHM CC(C)(C#N)CCOc1cc(Br)ccc1-c1nnn[n-]1 ZINC001589033262 1093019962 /nfs/dbraw/zinc/01/99/62/1093019962.db2.gz CJXVYPZNSCSWID-UHFFFAOYSA-N -1 3 336.193 2.948 20 30 EFEDHM CC(C)(C#N)CCOc1cc(Br)ccc1-c1nn[n-]n1 ZINC001589033262 1093019966 /nfs/dbraw/zinc/01/99/66/1093019966.db2.gz CJXVYPZNSCSWID-UHFFFAOYSA-N -1 3 336.193 2.948 20 30 EFEDHM CC(C)(C)c1cnc(C=CC(=O)c2cc(-c3nnn[n-]3)ccn2)s1 ZINC001589231866 1093052315 /nfs/dbraw/zinc/05/23/15/1093052315.db2.gz HFJVZWLJXYRLJL-PLNGDYQASA-N -1 3 340.412 2.912 20 30 EFEDHM CC(C)(C)c1cnc(C=CC(=O)c2cc(-c3nn[n-]n3)ccn2)s1 ZINC001589231866 1093052322 /nfs/dbraw/zinc/05/23/22/1093052322.db2.gz HFJVZWLJXYRLJL-PLNGDYQASA-N -1 3 340.412 2.912 20 30 EFEDHM CC(C)[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CS1 ZINC001589499867 1093095005 /nfs/dbraw/zinc/09/50/05/1093095005.db2.gz UWXZUZUKLYTLLT-SNVBAGLBSA-N -1 3 337.840 2.845 20 30 EFEDHM CC(C)[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CS1 ZINC001589499867 1093095012 /nfs/dbraw/zinc/09/50/12/1093095012.db2.gz UWXZUZUKLYTLLT-SNVBAGLBSA-N -1 3 337.840 2.845 20 30 EFEDHM C#Cc1nc(Br)cnc1Nc1cc(F)c([O-])c(F)c1 ZINC001213373631 1093116206 /nfs/dbraw/zinc/11/62/06/1093116206.db2.gz PHJSSIAVXHKMML-UHFFFAOYSA-N -1 3 326.100 2.948 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC(C)(C)C#N ZINC001589621731 1093118805 /nfs/dbraw/zinc/11/88/05/1093118805.db2.gz NVVBMAFUTASHIW-UHFFFAOYSA-N -1 3 340.431 2.791 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC(C)(C)C#N ZINC001589621731 1093118811 /nfs/dbraw/zinc/11/88/11/1093118811.db2.gz NVVBMAFUTASHIW-UHFFFAOYSA-N -1 3 340.431 2.791 20 30 EFEDHM CC(C)O[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1(C)C ZINC001589738370 1093129636 /nfs/dbraw/zinc/12/96/36/1093129636.db2.gz VOUUZDGEGUYADE-NSHDSACASA-N -1 3 349.826 2.907 20 30 EFEDHM CC(C)O[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1(C)C ZINC001589738370 1093129644 /nfs/dbraw/zinc/12/96/44/1093129644.db2.gz VOUUZDGEGUYADE-NSHDSACASA-N -1 3 349.826 2.907 20 30 EFEDHM CC(C)Oc1ccc(NC(=O)C#CC(C)(C)C)cc1-c1nnn[n-]1 ZINC001589754584 1093134067 /nfs/dbraw/zinc/13/40/67/1093134067.db2.gz MWPIODITVWEYMV-UHFFFAOYSA-N -1 3 327.388 2.642 20 30 EFEDHM CC(C)Oc1ccc(NC(=O)C#CC(C)(C)C)cc1-c1nn[n-]n1 ZINC001589754584 1093134069 /nfs/dbraw/zinc/13/40/69/1093134069.db2.gz MWPIODITVWEYMV-UHFFFAOYSA-N -1 3 327.388 2.642 20 30 EFEDHM CC(C)c1nn(C)c(Cl)c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001589777633 1093144806 /nfs/dbraw/zinc/14/48/06/1093144806.db2.gz GCUKORKWPRBWDG-UHFFFAOYSA-N -1 3 344.810 2.823 20 30 EFEDHM CC(C)n1nccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589785748 1093147073 /nfs/dbraw/zinc/14/70/73/1093147073.db2.gz XLPGKIZDRQWCHU-UHFFFAOYSA-N -1 3 330.783 2.744 20 30 EFEDHM CC(C)n1nccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589785748 1093147077 /nfs/dbraw/zinc/14/70/77/1093147077.db2.gz XLPGKIZDRQWCHU-UHFFFAOYSA-N -1 3 330.783 2.744 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1C#N ZINC001589898032 1093170231 /nfs/dbraw/zinc/17/02/31/1093170231.db2.gz SBXJFIUNWOVSEH-LBPRGKRZSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1C#N ZINC001589898032 1093170234 /nfs/dbraw/zinc/17/02/34/1093170234.db2.gz SBXJFIUNWOVSEH-LBPRGKRZSA-N -1 3 332.367 2.556 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001589904443 1093176891 /nfs/dbraw/zinc/17/68/91/1093176891.db2.gz SDZVSLBGDJFBBF-UHFFFAOYSA-N -1 3 339.403 2.581 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NOCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001589904443 1093176896 /nfs/dbraw/zinc/17/68/96/1093176896.db2.gz SDZVSLBGDJFBBF-UHFFFAOYSA-N -1 3 339.403 2.581 20 30 EFEDHM C[C@H](F)CCNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589911284 1093177674 /nfs/dbraw/zinc/17/76/74/1093177674.db2.gz JZPRVFUJVXQUPR-NSHDSACASA-N -1 3 343.410 2.952 20 30 EFEDHM C[C@H](F)CCNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589911284 1093177679 /nfs/dbraw/zinc/17/76/79/1093177679.db2.gz JZPRVFUJVXQUPR-NSHDSACASA-N -1 3 343.410 2.952 20 30 EFEDHM C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589918000 1093178367 /nfs/dbraw/zinc/17/83/67/1093178367.db2.gz IIAJRDBVUOAZQL-DYVFJYSZSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589918000 1093178368 /nfs/dbraw/zinc/17/83/68/1093178368.db2.gz IIAJRDBVUOAZQL-DYVFJYSZSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@@H](O)C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001589996539 1093213557 /nfs/dbraw/zinc/21/35/57/1093213557.db2.gz HTZBEAQPFQUGMV-CZUORRHYSA-N -1 3 348.410 2.705 20 30 EFEDHM C[C@@H](O)C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001589996539 1093213565 /nfs/dbraw/zinc/21/35/65/1093213565.db2.gz HTZBEAQPFQUGMV-CZUORRHYSA-N -1 3 348.410 2.705 20 30 EFEDHM C[C@@H](OC(=O)CC#Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001590008050 1093218487 /nfs/dbraw/zinc/21/84/87/1093218487.db2.gz UACOWLWMBRTJSB-CQSZACIVSA-N -1 3 332.363 2.913 20 30 EFEDHM C[C@@H](OC(=O)CC#Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001590008050 1093218496 /nfs/dbraw/zinc/21/84/96/1093218496.db2.gz UACOWLWMBRTJSB-CQSZACIVSA-N -1 3 332.363 2.913 20 30 EFEDHM C[C@@H](OC(=O)c1cccc(F)c1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590011590 1093220934 /nfs/dbraw/zinc/22/09/34/1093220934.db2.gz VXMNACQRBMOFRF-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1cccc(F)c1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590011590 1093220939 /nfs/dbraw/zinc/22/09/39/1093220939.db2.gz VXMNACQRBMOFRF-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](OC(=O)c1cccc(F)c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001590011210 1093221781 /nfs/dbraw/zinc/22/17/81/1093221781.db2.gz RIJYUDMZBGRNFV-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](OC(=O)c1cccc(F)c1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001590011210 1093221784 /nfs/dbraw/zinc/22/17/84/1093221784.db2.gz RIJYUDMZBGRNFV-JTQLQIEISA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](OC(=O)c1cscc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590014988 1093222932 /nfs/dbraw/zinc/22/29/32/1093222932.db2.gz AXLBPRMQDWDPOM-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](OC(=O)c1cscc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590014988 1093222938 /nfs/dbraw/zinc/22/29/38/1093222938.db2.gz AXLBPRMQDWDPOM-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C1CCCCC1 ZINC001590038187 1093231709 /nfs/dbraw/zinc/23/17/09/1093231709.db2.gz ZZSZZBDVOVUXEO-SECBINFHSA-N -1 3 329.433 2.776 20 30 EFEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)C1CCCCC1 ZINC001590038187 1093231713 /nfs/dbraw/zinc/23/17/13/1093231713.db2.gz ZZSZZBDVOVUXEO-SECBINFHSA-N -1 3 329.433 2.776 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCC(C)(C)CC#N ZINC001590041442 1093235646 /nfs/dbraw/zinc/23/56/46/1093235646.db2.gz BAHHFRGIWDUJKJ-LBPRGKRZSA-N -1 3 341.419 2.509 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCC(C)(C)CC#N ZINC001590041442 1093235654 /nfs/dbraw/zinc/23/56/54/1093235654.db2.gz BAHHFRGIWDUJKJ-LBPRGKRZSA-N -1 3 341.419 2.509 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(CC#N)cc1 ZINC001590044590 1093237844 /nfs/dbraw/zinc/23/78/44/1093237844.db2.gz WNYMQGBRTPOUBA-CYBMUJFWSA-N -1 3 346.394 2.766 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(CC#N)cc1 ZINC001590044590 1093237849 /nfs/dbraw/zinc/23/78/49/1093237849.db2.gz WNYMQGBRTPOUBA-CYBMUJFWSA-N -1 3 346.394 2.766 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cscc1C#N ZINC001590044912 1093238071 /nfs/dbraw/zinc/23/80/71/1093238071.db2.gz YSRVYMFFKYALSF-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cscc1C#N ZINC001590044912 1093238077 /nfs/dbraw/zinc/23/80/77/1093238077.db2.gz YSRVYMFFKYALSF-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM CC1(C#N)CCN(c2cccc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC001590056609 1093249779 /nfs/dbraw/zinc/24/97/79/1093249779.db2.gz NUKFOQBURZAYFS-UHFFFAOYSA-N -1 3 333.399 2.787 20 30 EFEDHM CC1(C#N)CCN(c2cccc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC001590056609 1093249785 /nfs/dbraw/zinc/24/97/85/1093249785.db2.gz NUKFOQBURZAYFS-UHFFFAOYSA-N -1 3 333.399 2.787 20 30 EFEDHM CC1(C)CC2(CC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)C2)CO1 ZINC001590088165 1093260616 /nfs/dbraw/zinc/26/06/16/1093260616.db2.gz RYOXFJUENDJVDQ-UHFFFAOYSA-N -1 3 347.810 2.662 20 30 EFEDHM CC1(C)CC2(CC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)C2)CO1 ZINC001590088165 1093260621 /nfs/dbraw/zinc/26/06/21/1093260621.db2.gz RYOXFJUENDJVDQ-UHFFFAOYSA-N -1 3 347.810 2.662 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC001650453340 1093263631 /nfs/dbraw/zinc/26/36/31/1093263631.db2.gz KWBBWVKDDVEXLZ-GXSJLCMTSA-N -1 3 342.804 2.561 20 30 EFEDHM CC1(C)CCCN(C(=O)c2cc(-c3nnn[n-]3)ccc2Cl)[C@@H]1C#N ZINC001590096812 1093267269 /nfs/dbraw/zinc/26/72/69/1093267269.db2.gz MEMHQVSFHWAJHZ-CYBMUJFWSA-N -1 3 344.806 2.674 20 30 EFEDHM CC1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)ccc2Cl)[C@@H]1C#N ZINC001590096812 1093267276 /nfs/dbraw/zinc/26/72/76/1093267276.db2.gz MEMHQVSFHWAJHZ-CYBMUJFWSA-N -1 3 344.806 2.674 20 30 EFEDHM C[C@@H]1C[C@H]1CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001590218491 1093308274 /nfs/dbraw/zinc/30/82/74/1093308274.db2.gz GXOHZUFRHNPXSO-NEPJUHHUSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@@H]1C[C@H]1CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001590218491 1093308279 /nfs/dbraw/zinc/30/82/79/1093308279.db2.gz GXOHZUFRHNPXSO-NEPJUHHUSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@@H]1C[C@H]1CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001590217485 1093308748 /nfs/dbraw/zinc/30/87/48/1093308748.db2.gz CEYMXAVNZYVHGQ-NEPJUHHUSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@@H]1C[C@H]1CNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001590217485 1093308754 /nfs/dbraw/zinc/30/87/54/1093308754.db2.gz CEYMXAVNZYVHGQ-NEPJUHHUSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@H]1C[C@@H]1CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001590217492 1093309717 /nfs/dbraw/zinc/30/97/17/1093309717.db2.gz CEYMXAVNZYVHGQ-NWDGAFQWSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@H]1C[C@@H]1CNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001590217492 1093309723 /nfs/dbraw/zinc/30/97/23/1093309723.db2.gz CEYMXAVNZYVHGQ-NWDGAFQWSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@H]1CCc2nc(C=NNc3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC001590280698 1093359411 /nfs/dbraw/zinc/35/94/11/1093359411.db2.gz DKONHMYSRQLGKX-JTQLQIEISA-N -1 3 339.428 2.894 20 30 EFEDHM C[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCc2ccccc21 ZINC001590312681 1093369460 /nfs/dbraw/zinc/36/94/60/1093369460.db2.gz LJAFPORYKSWMRS-ZDUSSCGKSA-N -1 3 330.395 2.905 20 30 EFEDHM C[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCc2ccccc21 ZINC001590312681 1093369466 /nfs/dbraw/zinc/36/94/66/1093369466.db2.gz LJAFPORYKSWMRS-ZDUSSCGKSA-N -1 3 330.395 2.905 20 30 EFEDHM C[C@@H]1Cc2ccccc2N1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590330865 1093377499 /nfs/dbraw/zinc/37/74/99/1093377499.db2.gz GDEPFBVQTBJWNS-CYBMUJFWSA-N -1 3 345.410 2.601 20 30 EFEDHM C[C@@H]1Cc2ccccc2N1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590330865 1093377510 /nfs/dbraw/zinc/37/75/10/1093377510.db2.gz GDEPFBVQTBJWNS-CYBMUJFWSA-N -1 3 345.410 2.601 20 30 EFEDHM C[C@@H]1OCC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]1C ZINC001590333637 1093380252 /nfs/dbraw/zinc/38/02/52/1093380252.db2.gz GJWLPXMBPHVVIA-SFYZADRCSA-N -1 3 340.309 2.708 20 30 EFEDHM C[C@@H]1OCC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H]1C ZINC001590333637 1093380260 /nfs/dbraw/zinc/38/02/60/1093380260.db2.gz GJWLPXMBPHVVIA-SFYZADRCSA-N -1 3 340.309 2.708 20 30 EFEDHM CCC(N=Nc1cncc(Cl)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359146 1093390264 /nfs/dbraw/zinc/39/02/64/1093390264.db2.gz PJZYIZYVRQIZQF-UHFFFAOYSA-N -1 3 328.767 2.536 20 30 EFEDHM CCC(N=Nc1cncc(Cl)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359146 1093390273 /nfs/dbraw/zinc/39/02/73/1093390273.db2.gz PJZYIZYVRQIZQF-UHFFFAOYSA-N -1 3 328.767 2.536 20 30 EFEDHM CC[C@@H](C#N)N(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001590367910 1093391741 /nfs/dbraw/zinc/39/17/41/1093391741.db2.gz NKVRBROVNGAUNN-ZDUSSCGKSA-N -1 3 346.394 2.908 20 30 EFEDHM CC[C@@H](C#N)N(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001590367910 1093391753 /nfs/dbraw/zinc/39/17/53/1093391753.db2.gz NKVRBROVNGAUNN-ZDUSSCGKSA-N -1 3 346.394 2.908 20 30 EFEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590582532 1093500342 /nfs/dbraw/zinc/50/03/42/1093500342.db2.gz QRSPFFVTADPVTE-AWEZNQCLSA-N -1 3 348.382 2.916 20 30 EFEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590582532 1093500349 /nfs/dbraw/zinc/50/03/49/1093500349.db2.gz QRSPFFVTADPVTE-AWEZNQCLSA-N -1 3 348.382 2.916 20 30 EFEDHM CCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001590592220 1093502212 /nfs/dbraw/zinc/50/22/12/1093502212.db2.gz IPMVANCJOXUPSH-UHFFFAOYSA-N -1 3 331.420 2.966 20 30 EFEDHM CCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001590592220 1093502219 /nfs/dbraw/zinc/50/22/19/1093502219.db2.gz IPMVANCJOXUPSH-UHFFFAOYSA-N -1 3 331.420 2.966 20 30 EFEDHM CCN(C(=O)c1cc(C#N)[nH]c1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590673345 1093542216 /nfs/dbraw/zinc/54/22/16/1093542216.db2.gz AKAFZHGHAMFORW-GFCCVEGCSA-N -1 3 349.398 2.598 20 30 EFEDHM CCN(C(=O)c1cc(C#N)[nH]c1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590673345 1093542223 /nfs/dbraw/zinc/54/22/23/1093542223.db2.gz AKAFZHGHAMFORW-GFCCVEGCSA-N -1 3 349.398 2.598 20 30 EFEDHM CCN(C(=O)c1coc(C#N)c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590676437 1093544296 /nfs/dbraw/zinc/54/42/96/1093544296.db2.gz NWRSHHSLFUUEIA-LLVKDONJSA-N -1 3 336.355 2.555 20 30 EFEDHM CCN(C(=O)c1coc(C#N)c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590676437 1093544300 /nfs/dbraw/zinc/54/43/00/1093544300.db2.gz NWRSHHSLFUUEIA-LLVKDONJSA-N -1 3 336.355 2.555 20 30 EFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(C#N)c1C ZINC001590747876 1093561023 /nfs/dbraw/zinc/56/10/23/1093561023.db2.gz SVNHMTLWBJYIQS-UHFFFAOYSA-N -1 3 347.382 2.731 20 30 EFEDHM CCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C#N)Cc1ccccc1 ZINC001590834212 1093586919 /nfs/dbraw/zinc/58/69/19/1093586919.db2.gz XMGDXSWMFQXMGR-OAHLLOKOSA-N -1 3 334.383 2.812 20 30 EFEDHM CCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C#N)Cc1ccccc1 ZINC001590834212 1093586923 /nfs/dbraw/zinc/58/69/23/1093586923.db2.gz XMGDXSWMFQXMGR-OAHLLOKOSA-N -1 3 334.383 2.812 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C)c(C#N)c2)s1 ZINC001590876124 1093610022 /nfs/dbraw/zinc/61/00/22/1093610022.db2.gz QOBNIDYZZRYTLJ-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C)c(C#N)c2)s1 ZINC001590876124 1093610028 /nfs/dbraw/zinc/61/00/28/1093610028.db2.gz QOBNIDYZZRYTLJ-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001590886058 1093614974 /nfs/dbraw/zinc/61/49/74/1093614974.db2.gz BHJHJLLMGOPIMV-QGZVFWFLSA-N -1 3 346.394 2.732 20 30 EFEDHM CCc1ccc([C@@H](C#N)NC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001590886058 1093614984 /nfs/dbraw/zinc/61/49/84/1093614984.db2.gz BHJHJLLMGOPIMV-QGZVFWFLSA-N -1 3 346.394 2.732 20 30 EFEDHM CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590978634 1093645040 /nfs/dbraw/zinc/64/50/40/1093645040.db2.gz UURIGVJPZVAZLU-INIZCTEOSA-N -1 3 346.394 2.917 20 30 EFEDHM CN(C(=O)C[C@H](CC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590978634 1093645042 /nfs/dbraw/zinc/64/50/42/1093645042.db2.gz UURIGVJPZVAZLU-INIZCTEOSA-N -1 3 346.394 2.917 20 30 EFEDHM CN(C(=O)c1cc(-c2nnn[n-]2)ccc1Cl)c1ccc(C#N)cc1 ZINC001590991092 1093648862 /nfs/dbraw/zinc/64/88/62/1093648862.db2.gz OKRCNUPRCYYIOV-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1cc(-c2nn[n-]n2)ccc1Cl)c1ccc(C#N)cc1 ZINC001590991092 1093648865 /nfs/dbraw/zinc/64/88/65/1093648865.db2.gz OKRCNUPRCYYIOV-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(CC(C)(C)C#N)c1c(Br)cccc1-c1nnn[n-]1 ZINC001591042614 1093656941 /nfs/dbraw/zinc/65/69/41/1093656941.db2.gz NYNXFDFBTIQCKI-UHFFFAOYSA-N -1 3 335.209 2.615 20 30 EFEDHM CN(CC(C)(C)C#N)c1c(Br)cccc1-c1nn[n-]n1 ZINC001591042614 1093656943 /nfs/dbraw/zinc/65/69/43/1093656943.db2.gz NYNXFDFBTIQCKI-UHFFFAOYSA-N -1 3 335.209 2.615 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1Br)CC(C)(C)C#N ZINC001591137331 1093669856 /nfs/dbraw/zinc/66/98/56/1093669856.db2.gz ZVRSPPPKQMMIAV-UHFFFAOYSA-N -1 3 349.236 2.611 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1Br)CC(C)(C)C#N ZINC001591137331 1093669861 /nfs/dbraw/zinc/66/98/61/1093669861.db2.gz ZVRSPPPKQMMIAV-UHFFFAOYSA-N -1 3 349.236 2.611 20 30 EFEDHM CN1CCc2cc(C=C3Cc4ccc(-c5nnn[n-]5)cc4C3=O)ccc21 ZINC001591195926 1093677834 /nfs/dbraw/zinc/67/78/34/1093677834.db2.gz FELWBFWZYAJIPE-CXUHLZMHSA-N -1 3 343.390 2.681 20 30 EFEDHM CN1CCc2cc(C=C3Cc4ccc(-c5nn[n-]n5)cc4C3=O)ccc21 ZINC001591195926 1093677837 /nfs/dbraw/zinc/67/78/37/1093677837.db2.gz FELWBFWZYAJIPE-CXUHLZMHSA-N -1 3 343.390 2.681 20 30 EFEDHM COC[C@@H](C)CN=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001591372948 1093708282 /nfs/dbraw/zinc/70/82/82/1093708282.db2.gz RJPHYTHAKQNKGW-QMMMGPOBSA-N -1 3 328.298 2.566 20 30 EFEDHM COC[C@@H](C)CN=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001591372948 1093708290 /nfs/dbraw/zinc/70/82/90/1093708290.db2.gz RJPHYTHAKQNKGW-QMMMGPOBSA-N -1 3 328.298 2.566 20 30 EFEDHM COCc1cc(C#N)ccc1N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001591462009 1093729763 /nfs/dbraw/zinc/72/97/63/1093729763.db2.gz SCIZGWDGYQWMOH-GOSISDBHSA-N -1 3 346.394 2.984 20 30 EFEDHM COCc1cc(C#N)ccc1N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001591462009 1093729769 /nfs/dbraw/zinc/72/97/69/1093729769.db2.gz SCIZGWDGYQWMOH-GOSISDBHSA-N -1 3 346.394 2.984 20 30 EFEDHM COc1cc(C#N)ccc1NC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001591509419 1093745355 /nfs/dbraw/zinc/74/53/55/1093745355.db2.gz WTXZNKXXIWVUPA-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(C#N)ccc1NC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001591509419 1093745358 /nfs/dbraw/zinc/74/53/58/1093745358.db2.gz WTXZNKXXIWVUPA-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1 ZINC001591522178 1093749773 /nfs/dbraw/zinc/74/97/73/1093749773.db2.gz CECBVAILGXDEHI-VOTSOKGWSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc(OC)c1 ZINC001591522178 1093749777 /nfs/dbraw/zinc/74/97/77/1093749777.db2.gz CECBVAILGXDEHI-VOTSOKGWSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1C ZINC001591523261 1093750725 /nfs/dbraw/zinc/75/07/25/1093750725.db2.gz UBKCQRNVUXKDSV-UHFFFAOYSA-N -1 3 343.778 2.678 20 30 EFEDHM COc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1C ZINC001591523261 1093750730 /nfs/dbraw/zinc/75/07/30/1093750730.db2.gz UBKCQRNVUXKDSV-UHFFFAOYSA-N -1 3 343.778 2.678 20 30 EFEDHM COc1cc(C=NNc2cccc(F)c2F)ccc1-c1nnn[n-]1 ZINC001591523663 1093751308 /nfs/dbraw/zinc/75/13/08/1093751308.db2.gz YYWFISZHMAPVOX-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1cc(C=NNc2cccc(F)c2F)ccc1-c1nn[n-]n1 ZINC001591523663 1093751311 /nfs/dbraw/zinc/75/13/11/1093751311.db2.gz YYWFISZHMAPVOX-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1cc(C=NNc2c(C)cccc2F)ccc1-c1nnn[n-]1 ZINC001591523665 1093752131 /nfs/dbraw/zinc/75/21/31/1093752131.db2.gz ZAEHYAUSTQJUGQ-UHFFFAOYSA-N -1 3 326.335 2.769 20 30 EFEDHM COc1cc(C=NNc2c(C)cccc2F)ccc1-c1nn[n-]n1 ZINC001591523665 1093752135 /nfs/dbraw/zinc/75/21/35/1093752135.db2.gz ZAEHYAUSTQJUGQ-UHFFFAOYSA-N -1 3 326.335 2.769 20 30 EFEDHM COc1cc(F)ccc1NN=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001591540680 1093759151 /nfs/dbraw/zinc/75/91/51/1093759151.db2.gz GNNCAUFMLDSITO-UHFFFAOYSA-N -1 3 326.335 2.769 20 30 EFEDHM COc1cc(F)ccc1NN=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001591540680 1093759157 /nfs/dbraw/zinc/75/91/57/1093759157.db2.gz GNNCAUFMLDSITO-UHFFFAOYSA-N -1 3 326.335 2.769 20 30 EFEDHM COc1cc(OCc2c(C)cc(-c3nnn[n-]3)cc2C)ccc1C#N ZINC001591552466 1093765450 /nfs/dbraw/zinc/76/54/50/1093765450.db2.gz ALNPABYXAMWBDX-UHFFFAOYSA-N -1 3 335.367 2.943 20 30 EFEDHM COc1cc(OCc2c(C)cc(-c3nn[n-]n3)cc2C)ccc1C#N ZINC001591552466 1093765455 /nfs/dbraw/zinc/76/54/55/1093765455.db2.gz ALNPABYXAMWBDX-UHFFFAOYSA-N -1 3 335.367 2.943 20 30 EFEDHM COc1cc(OCc2cc(Cl)cc(-c3nnn[n-]3)c2)ccc1C#N ZINC001591553122 1093767047 /nfs/dbraw/zinc/76/70/47/1093767047.db2.gz WAMFWNKMGFKSKC-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(OCc2cc(Cl)cc(-c3nn[n-]n3)c2)ccc1C#N ZINC001591553122 1093767057 /nfs/dbraw/zinc/76/70/57/1093767057.db2.gz WAMFWNKMGFKSKC-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c(OC)c1 ZINC001591582885 1093780173 /nfs/dbraw/zinc/78/01/73/1093780173.db2.gz RQKCSMSWTWHENI-ZSOIEALJSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c(OC)c1 ZINC001591582885 1093780179 /nfs/dbraw/zinc/78/01/79/1093780179.db2.gz RQKCSMSWTWHENI-ZSOIEALJSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c(C)c1OC ZINC001591582347 1093781772 /nfs/dbraw/zinc/78/17/72/1093781772.db2.gz MEACNEXUVYKFKK-UHFFFAOYSA-N -1 3 338.371 2.638 20 30 EFEDHM COc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c(C)c1OC ZINC001591582347 1093781782 /nfs/dbraw/zinc/78/17/82/1093781782.db2.gz MEACNEXUVYKFKK-UHFFFAOYSA-N -1 3 338.371 2.638 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591619819 1093800116 /nfs/dbraw/zinc/80/01/16/1093800116.db2.gz XNUKWUJWIZHBQS-UITAMQMPSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591619819 1093800127 /nfs/dbraw/zinc/80/01/27/1093800127.db2.gz XNUKWUJWIZHBQS-UITAMQMPSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cccc([C@@H]2C[C@H]2CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001591642339 1093812824 /nfs/dbraw/zinc/81/28/24/1093812824.db2.gz KYJXUNAWWJKSAC-YOEHRIQHSA-N -1 3 346.394 2.963 20 30 EFEDHM COc1cccc([C@@H]2C[C@H]2CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001591642339 1093812826 /nfs/dbraw/zinc/81/28/26/1093812826.db2.gz KYJXUNAWWJKSAC-YOEHRIQHSA-N -1 3 346.394 2.963 20 30 EFEDHM CSC(C)(C)CCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001591685047 1093824558 /nfs/dbraw/zinc/82/45/58/1093824558.db2.gz PJNOPOBVDFDZMQ-UHFFFAOYSA-N -1 3 325.829 2.845 20 30 EFEDHM CSC(C)(C)CCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001591685047 1093824563 /nfs/dbraw/zinc/82/45/63/1093824563.db2.gz PJNOPOBVDFDZMQ-UHFFFAOYSA-N -1 3 325.829 2.845 20 30 EFEDHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001591771604 1093853735 /nfs/dbraw/zinc/85/37/35/1093853735.db2.gz ULACYAKGWJAGTN-LBPRGKRZSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001591771604 1093853739 /nfs/dbraw/zinc/85/37/39/1093853739.db2.gz ULACYAKGWJAGTN-LBPRGKRZSA-N -1 3 333.351 2.585 20 30 EFEDHM Cc1c2ccccc2nc(N2CCC(C)(C#N)CC2)c1-c1nnn[n-]1 ZINC001591795257 1093861082 /nfs/dbraw/zinc/86/10/82/1093861082.db2.gz MBRXWGBULCYHPV-UHFFFAOYSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1c2ccccc2nc(N2CCC(C)(C#N)CC2)c1-c1nn[n-]n1 ZINC001591795257 1093861084 /nfs/dbraw/zinc/86/10/84/1093861084.db2.gz MBRXWGBULCYHPV-UHFFFAOYSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC001591801645 1093863129 /nfs/dbraw/zinc/86/31/29/1093863129.db2.gz ITBOEKRVEWTELX-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC001591801645 1093863139 /nfs/dbraw/zinc/86/31/39/1093863139.db2.gz ITBOEKRVEWTELX-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001591800248 1093863580 /nfs/dbraw/zinc/86/35/80/1093863580.db2.gz ZWLQXOTWYZQZPF-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001591800248 1093863583 /nfs/dbraw/zinc/86/35/83/1093863583.db2.gz ZWLQXOTWYZQZPF-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001591802143 1093863626 /nfs/dbraw/zinc/86/36/26/1093863626.db2.gz RJAHGOZQOFEILS-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001591802143 1093863629 /nfs/dbraw/zinc/86/36/29/1093863629.db2.gz RJAHGOZQOFEILS-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001591799428 1093863707 /nfs/dbraw/zinc/86/37/07/1093863707.db2.gz JNQIZLSFZSWAOG-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001591799428 1093863711 /nfs/dbraw/zinc/86/37/11/1093863711.db2.gz JNQIZLSFZSWAOG-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccn1C(C)C ZINC001591810816 1093866710 /nfs/dbraw/zinc/86/67/10/1093866710.db2.gz FYGXLXUVRMSSBC-UHFFFAOYSA-N -1 3 335.371 2.682 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccn1C(C)C ZINC001591810816 1093866715 /nfs/dbraw/zinc/86/67/15/1093866715.db2.gz FYGXLXUVRMSSBC-UHFFFAOYSA-N -1 3 335.371 2.682 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=CC(=O)c1cn2c(n1)CCCC2 ZINC001591839604 1093879243 /nfs/dbraw/zinc/87/92/43/1093879243.db2.gz NPHFVEOJMKMASE-SREVYHEPSA-N -1 3 348.410 2.912 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=CC(=O)c1cn2c(n1)CCCC2 ZINC001591839604 1093879250 /nfs/dbraw/zinc/87/92/50/1093879250.db2.gz NPHFVEOJMKMASE-SREVYHEPSA-N -1 3 348.410 2.912 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(NC(C)(C)Cc2ccc(C#N)cc2)n1 ZINC001591859671 1093896873 /nfs/dbraw/zinc/89/68/73/1093896873.db2.gz WPLRQEIWZGWOLZ-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(NC(C)(C)Cc2ccc(C#N)cc2)n1 ZINC001591859671 1093896882 /nfs/dbraw/zinc/89/68/82/1093896882.db2.gz WPLRQEIWZGWOLZ-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC001591861669 1093898703 /nfs/dbraw/zinc/89/87/03/1093898703.db2.gz SCPZRITXEDHTBM-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC001591861669 1093898707 /nfs/dbraw/zinc/89/87/07/1093898707.db2.gz SCPZRITXEDHTBM-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CC#Cc1ccccc1 ZINC001591868539 1093903686 /nfs/dbraw/zinc/90/36/86/1093903686.db2.gz MJBLCOWPUDMBHO-UHFFFAOYSA-N -1 3 332.363 2.660 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)CC#Cc1ccccc1 ZINC001591868539 1093903691 /nfs/dbraw/zinc/90/36/91/1093903691.db2.gz MJBLCOWPUDMBHO-UHFFFAOYSA-N -1 3 332.363 2.660 20 30 EFEDHM Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)cc(C)c1-c1nnn[n-]1 ZINC001591908247 1093914241 /nfs/dbraw/zinc/91/42/41/1093914241.db2.gz RXYHDSNWQFIWJG-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)cc(C)c1-c1nn[n-]n1 ZINC001591908247 1093914247 /nfs/dbraw/zinc/91/42/47/1093914247.db2.gz RXYHDSNWQFIWJG-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc(C)c1-c1nnn[n-]1 ZINC001591918906 1093916159 /nfs/dbraw/zinc/91/61/59/1093916159.db2.gz MGLCQBWNIJNSRV-KRWDZBQOSA-N -1 3 326.404 2.542 20 30 EFEDHM Cc1cc(C(=O)N[C@@](C)(C#N)C(C)(C)C)cc(C)c1-c1nn[n-]n1 ZINC001591918906 1093916165 /nfs/dbraw/zinc/91/61/65/1093916165.db2.gz MGLCQBWNIJNSRV-KRWDZBQOSA-N -1 3 326.404 2.542 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)cc(C)c1-c1nnn[n-]1 ZINC001591933740 1093921513 /nfs/dbraw/zinc/92/15/13/1093921513.db2.gz ZXKFPSCZJWVLID-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(F)c(C#N)c2)cc(C)c1-c1nn[n-]n1 ZINC001591933740 1093921518 /nfs/dbraw/zinc/92/15/18/1093921518.db2.gz ZXKFPSCZJWVLID-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(NC(=O)CC2(C#N)CCCCC2)n1 ZINC001591938519 1093923288 /nfs/dbraw/zinc/92/32/88/1093923288.db2.gz AVKGPVSLYDGCPU-UHFFFAOYSA-N -1 3 339.403 2.681 20 30 EFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(NC(=O)CC2(C#N)CCCCC2)n1 ZINC001591938519 1093923295 /nfs/dbraw/zinc/92/32/95/1093923295.db2.gz AVKGPVSLYDGCPU-UHFFFAOYSA-N -1 3 339.403 2.681 20 30 EFEDHM Cc1cc(CN=Nc2ncnc3sccc32)ccc1-c1nnn[n-]1 ZINC001591958686 1093933460 /nfs/dbraw/zinc/93/34/60/1093933460.db2.gz JZUBJJDQFQSLOY-UHFFFAOYSA-N -1 3 336.384 2.626 20 30 EFEDHM Cc1cc(CN=Nc2ncnc3sccc32)ccc1-c1nn[n-]n1 ZINC001591958686 1093933463 /nfs/dbraw/zinc/93/34/63/1093933463.db2.gz JZUBJJDQFQSLOY-UHFFFAOYSA-N -1 3 336.384 2.626 20 30 EFEDHM Cc1cc(Cl)cc(-c2nnn[n-]2)c1OCc1nc(C#N)cs1 ZINC001591975478 1093941591 /nfs/dbraw/zinc/94/15/91/1093941591.db2.gz LAHKLCRHOAWTTA-UHFFFAOYSA-N -1 3 332.776 2.736 20 30 EFEDHM Cc1cc(Cl)cc(-c2nn[n-]n2)c1OCc1nc(C#N)cs1 ZINC001591975478 1093941595 /nfs/dbraw/zinc/94/15/95/1093941595.db2.gz LAHKLCRHOAWTTA-UHFFFAOYSA-N -1 3 332.776 2.736 20 30 EFEDHM Cc1cc(Cl)cc(-c2nnn[n-]2)c1OCc1cc(C#N)ccn1 ZINC001591975486 1093941734 /nfs/dbraw/zinc/94/17/34/1093941734.db2.gz LGZCRHYOPHAVIW-UHFFFAOYSA-N -1 3 326.747 2.674 20 30 EFEDHM Cc1cc(Cl)cc(-c2nn[n-]n2)c1OCc1cc(C#N)ccn1 ZINC001591975486 1093941736 /nfs/dbraw/zinc/94/17/36/1093941736.db2.gz LGZCRHYOPHAVIW-UHFFFAOYSA-N -1 3 326.747 2.674 20 30 EFEDHM Cc1cc(F)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(F)c1 ZINC001591988176 1093948646 /nfs/dbraw/zinc/94/86/46/1093948646.db2.gz LHPCXXZPXBGPJP-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(F)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(F)c1 ZINC001591988176 1093948650 /nfs/dbraw/zinc/94/86/50/1093948650.db2.gz LHPCXXZPXBGPJP-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(NCCc2ccc(C#N)cc2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592050693 1093967142 /nfs/dbraw/zinc/96/71/42/1093967142.db2.gz BSEYAIPWCKVXGQ-UHFFFAOYSA-N -1 3 349.354 2.610 20 30 EFEDHM Cc1cc(NCCc2ccc(C#N)cc2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592050693 1093967145 /nfs/dbraw/zinc/96/71/45/1093967145.db2.gz BSEYAIPWCKVXGQ-UHFFFAOYSA-N -1 3 349.354 2.610 20 30 EFEDHM Cc1cc(OCCCOc2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001592059171 1093970684 /nfs/dbraw/zinc/97/06/84/1093970684.db2.gz MMHMAACXWNRCDM-UHFFFAOYSA-N -1 3 335.367 2.895 20 30 EFEDHM Cc1cc(OC(=O)c2cscc2C#N)c(C)c(C)c1-c1nn[n-]n1 ZINC001592059430 1093970833 /nfs/dbraw/zinc/97/08/33/1093970833.db2.gz FVKZMNRFTRNLCY-UHFFFAOYSA-N -1 3 339.380 2.944 20 30 EFEDHM Cc1cc(Sc2ncc([N+](=O)[O-])cc2C#N)ccc1-c1nnn[n-]1 ZINC001592067772 1093973063 /nfs/dbraw/zinc/97/30/63/1093973063.db2.gz CNFUVEKWSKTXHL-UHFFFAOYSA-N -1 3 339.340 2.501 20 30 EFEDHM Cc1cc(Sc2ncc([N+](=O)[O-])cc2C#N)ccc1-c1nn[n-]n1 ZINC001592067772 1093973064 /nfs/dbraw/zinc/97/30/64/1093973064.db2.gz CNFUVEKWSKTXHL-UHFFFAOYSA-N -1 3 339.340 2.501 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC001592096977 1093977997 /nfs/dbraw/zinc/97/79/97/1093977997.db2.gz MGHHOBCYDPGQKN-GOSISDBHSA-N -1 3 338.415 2.768 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC001592096977 1093978002 /nfs/dbraw/zinc/97/80/02/1093978002.db2.gz MGHHOBCYDPGQKN-GOSISDBHSA-N -1 3 338.415 2.768 20 30 EFEDHM Cc1ccc(C#N)c(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001592113472 1093984661 /nfs/dbraw/zinc/98/46/61/1093984661.db2.gz NQWDDHPAFTYHPI-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1ccc(C#N)c(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001592113472 1093984664 /nfs/dbraw/zinc/98/46/64/1093984664.db2.gz NQWDDHPAFTYHPI-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1ccc(Br)c(N2CC[C@@](C)(C#N)C2)c1-c1nnn[n-]1 ZINC001592111876 1093985300 /nfs/dbraw/zinc/98/53/00/1093985300.db2.gz DLEBYBVFIOVEDN-AWEZNQCLSA-N -1 3 347.220 2.678 20 30 EFEDHM Cc1ccc(Br)c(N2CC[C@@](C)(C#N)C2)c1-c1nn[n-]n1 ZINC001592111876 1093985302 /nfs/dbraw/zinc/98/53/02/1093985302.db2.gz DLEBYBVFIOVEDN-AWEZNQCLSA-N -1 3 347.220 2.678 20 30 EFEDHM Cc1ccc(C(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)cc1C#N ZINC001592120456 1093987409 /nfs/dbraw/zinc/98/74/09/1093987409.db2.gz YROGCESNCNJYDM-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1ccc(C(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)cc1C#N ZINC001592120456 1093987412 /nfs/dbraw/zinc/98/74/12/1093987412.db2.gz YROGCESNCNJYDM-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1-c1nnn[n-]1 ZINC001592133732 1093991646 /nfs/dbraw/zinc/99/16/46/1093991646.db2.gz VWAHLDFRDKGZMJ-UHFFFAOYSA-N -1 3 333.351 2.598 20 30 EFEDHM Cc1ccc(C(=O)OCc2ccc(CC#N)cc2)cc1-c1nn[n-]n1 ZINC001592133732 1093991649 /nfs/dbraw/zinc/99/16/49/1093991649.db2.gz VWAHLDFRDKGZMJ-UHFFFAOYSA-N -1 3 333.351 2.598 20 30 EFEDHM Cc1ccc(COC(=O)[C@]2(C#N)CC23CCCC3)cc1-c1nnn[n-]1 ZINC001592167806 1094012539 /nfs/dbraw/zinc/01/25/39/1094012539.db2.gz UEHDBLTUHHSICL-GOSISDBHSA-N -1 3 337.383 2.692 20 30 EFEDHM Cc1ccc(COC(=O)[C@]2(C#N)CC23CCCC3)cc1-c1nn[n-]n1 ZINC001592167806 1094012543 /nfs/dbraw/zinc/01/25/43/1094012543.db2.gz UEHDBLTUHHSICL-GOSISDBHSA-N -1 3 337.383 2.692 20 30 EFEDHM Cc1ccc(CSc2nnc(C)c(C)c2C#N)cc1-c1nnn[n-]1 ZINC001592169590 1094014506 /nfs/dbraw/zinc/01/45/06/1094014506.db2.gz VKGWAWNTSFRBIT-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1ccc(CSc2nnc(C)c(C)c2C#N)cc1-c1nn[n-]n1 ZINC001592169590 1094014512 /nfs/dbraw/zinc/01/45/12/1094014512.db2.gz VKGWAWNTSFRBIT-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@H](CC#N)C3)c2c1 ZINC001592207736 1094031704 /nfs/dbraw/zinc/03/17/04/1094031704.db2.gz NIZOEWWUQAMYIF-CYBMUJFWSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@H](CC#N)C3)c2c1 ZINC001592207736 1094031711 /nfs/dbraw/zinc/03/17/11/1094031711.db2.gz NIZOEWWUQAMYIF-CYBMUJFWSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1cccc(O[C@@H](C)CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001592237463 1094044135 /nfs/dbraw/zinc/04/41/35/1094044135.db2.gz XUXIYTZYSAFJAP-ZDUSSCGKSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1cccc(O[C@@H](C)CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001592237463 1094044143 /nfs/dbraw/zinc/04/41/43/1094044143.db2.gz XUXIYTZYSAFJAP-ZDUSSCGKSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1cccc(OCCN(C)c2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001592237821 1094045564 /nfs/dbraw/zinc/04/55/64/1094045564.db2.gz AUJCIXGTFSIDLR-UHFFFAOYSA-N -1 3 334.383 2.562 20 30 EFEDHM Cc1cccc(OCCN(C)c2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001592237821 1094045570 /nfs/dbraw/zinc/04/55/70/1094045570.db2.gz AUJCIXGTFSIDLR-UHFFFAOYSA-N -1 3 334.383 2.562 20 30 EFEDHM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001592249321 1094048417 /nfs/dbraw/zinc/04/84/17/1094048417.db2.gz OCEIJTPENVNOPO-GFCCVEGCSA-N -1 3 332.367 2.789 20 30 EFEDHM Cc1ccccc1[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001592249321 1094048424 /nfs/dbraw/zinc/04/84/24/1094048424.db2.gz OCEIJTPENVNOPO-GFCCVEGCSA-N -1 3 332.367 2.789 20 30 EFEDHM Cc1ccnc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1C#N ZINC001592273034 1094060946 /nfs/dbraw/zinc/06/09/46/1094060946.db2.gz PQZABMXSMMBDEE-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccnc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1C#N ZINC001592273034 1094060951 /nfs/dbraw/zinc/06/09/51/1094060951.db2.gz PQZABMXSMMBDEE-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2c(C)cc(-c3nn[nH]n3)cc2C)n1 ZINC001592314464 1094073186 /nfs/dbraw/zinc/07/31/86/1094073186.db2.gz KGLVMZNKFGSUQC-GFCCVEGCSA-N -1 3 338.396 2.739 20 30 EFEDHM Cc1sc(NC(=O)c2sccc2C#N)c(-c2nnn[n-]2)c1C ZINC001592519611 1094117773 /nfs/dbraw/zinc/11/77/73/1094117773.db2.gz HRAZWTQSMHMAPB-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Cc1sc(NC(=O)c2sccc2C#N)c(-c2nn[n-]n2)c1C ZINC001592519611 1094117775 /nfs/dbraw/zinc/11/77/75/1094117775.db2.gz HRAZWTQSMHMAPB-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Cc1sc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(-c2nnn[n-]2)c1C ZINC001592518390 1094118365 /nfs/dbraw/zinc/11/83/65/1094118365.db2.gz ANBMBSSZBHDKOA-INIZCTEOSA-N -1 3 342.428 2.958 20 30 EFEDHM Cc1sc(NC(=O)[C@@]2(C#N)CC23CCCC3)c(-c2nn[n-]n2)c1C ZINC001592518390 1094118369 /nfs/dbraw/zinc/11/83/69/1094118369.db2.gz ANBMBSSZBHDKOA-INIZCTEOSA-N -1 3 342.428 2.958 20 30 EFEDHM Clc1ccc2nc(C=NNc3cccc(-c4nnn[n-]4)c3)cn2c1 ZINC001592533382 1094128222 /nfs/dbraw/zinc/12/82/22/1094128222.db2.gz RUAQHHYFSPJVCS-UHFFFAOYSA-N -1 3 338.762 2.614 20 30 EFEDHM Clc1ccc2nc(C=NNc3cccc(-c4nn[n-]n4)c3)cn2c1 ZINC001592533382 1094128229 /nfs/dbraw/zinc/12/82/29/1094128229.db2.gz RUAQHHYFSPJVCS-UHFFFAOYSA-N -1 3 338.762 2.614 20 30 EFEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C2CC2)n1 ZINC001592567025 1094135005 /nfs/dbraw/zinc/13/50/05/1094135005.db2.gz NUBHQYWETOPRNL-LCYFTJDESA-N -1 3 346.394 2.690 20 30 EFEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C2CC2)n1 ZINC001592567025 1094135009 /nfs/dbraw/zinc/13/50/09/1094135009.db2.gz NUBHQYWETOPRNL-LCYFTJDESA-N -1 3 346.394 2.690 20 30 EFEDHM Cn1ccc(CN=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC001592580064 1094136400 /nfs/dbraw/zinc/13/64/00/1094136400.db2.gz KZTPAORIOYESEJ-UHFFFAOYSA-N -1 3 335.293 2.670 20 30 EFEDHM Cn1cnc2cc(C=CC(=O)c3ccccc3-c3nnn[n-]3)ccc21 ZINC001592589052 1094137964 /nfs/dbraw/zinc/13/79/64/1094137964.db2.gz QSSCRBCIISAWMZ-VQHVLOKHSA-N -1 3 330.351 2.650 20 30 EFEDHM Cn1cnc2cc(C=CC(=O)c3ccccc3-c3nn[n-]n3)ccc21 ZINC001592589052 1094137966 /nfs/dbraw/zinc/13/79/66/1094137966.db2.gz QSSCRBCIISAWMZ-VQHVLOKHSA-N -1 3 330.351 2.650 20 30 EFEDHM FC(F)c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592626996 1094145459 /nfs/dbraw/zinc/14/54/59/1094145459.db2.gz OIDBZKQMWHNAKX-UHFFFAOYSA-N -1 3 328.326 2.928 20 30 EFEDHM FC(F)c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592626996 1094145463 /nfs/dbraw/zinc/14/54/63/1094145463.db2.gz OIDBZKQMWHNAKX-UHFFFAOYSA-N -1 3 328.326 2.928 20 30 EFEDHM FC1(F)CCC[C@H]1CNN=Cc1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001592627997 1094146800 /nfs/dbraw/zinc/14/68/00/1094146800.db2.gz KUVWFPTZBAVBEL-NSHDSACASA-N -1 3 345.357 2.707 20 30 EFEDHM FC1(F)CCC[C@H]1CNN=Cc1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001592627997 1094146802 /nfs/dbraw/zinc/14/68/02/1094146802.db2.gz KUVWFPTZBAVBEL-NSHDSACASA-N -1 3 345.357 2.707 20 30 EFEDHM N#CC1(CNc2cc(-c3nnn[n-]3)c(Br)cn2)CCCC1 ZINC001592669980 1094172802 /nfs/dbraw/zinc/17/28/02/1094172802.db2.gz PZYPNELJTOCMFA-UHFFFAOYSA-N -1 3 348.208 2.520 20 30 EFEDHM N#CC1(CNc2cc(-c3nn[n-]n3)c(Br)cn2)CCCC1 ZINC001592669980 1094172804 /nfs/dbraw/zinc/17/28/04/1094172804.db2.gz PZYPNELJTOCMFA-UHFFFAOYSA-N -1 3 348.208 2.520 20 30 EFEDHM N#CC1(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001592666120 1094172907 /nfs/dbraw/zinc/17/29/07/1094172907.db2.gz AURKTWVXLICVRX-UHFFFAOYSA-N -1 3 343.362 2.913 20 30 EFEDHM N#CC1(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001592666120 1094172911 /nfs/dbraw/zinc/17/29/11/1094172911.db2.gz AURKTWVXLICVRX-UHFFFAOYSA-N -1 3 343.362 2.913 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1CCCCC1 ZINC001592669126 1094172958 /nfs/dbraw/zinc/17/29/58/1094172958.db2.gz QBJWIOCRUGOUQE-MRXNPFEDSA-N -1 3 339.399 2.672 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1CCCCC1 ZINC001592669126 1094172960 /nfs/dbraw/zinc/17/29/60/1094172960.db2.gz QBJWIOCRUGOUQE-MRXNPFEDSA-N -1 3 339.399 2.672 20 30 EFEDHM N#CC1(CC(=O)OCc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001592666891 1094173365 /nfs/dbraw/zinc/17/33/65/1094173365.db2.gz MOPARLWOIDLKOJ-UHFFFAOYSA-N -1 3 325.372 2.774 20 30 EFEDHM N#CC1(CC(=O)OCc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001592666891 1094173370 /nfs/dbraw/zinc/17/33/70/1094173370.db2.gz MOPARLWOIDLKOJ-UHFFFAOYSA-N -1 3 325.372 2.774 20 30 EFEDHM N#CCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001592674844 1094174664 /nfs/dbraw/zinc/17/46/64/1094174664.db2.gz KXXMSKDUUSUYAM-UHFFFAOYSA-N -1 3 349.354 2.686 20 30 EFEDHM N#CCCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001592674844 1094174666 /nfs/dbraw/zinc/17/46/66/1094174666.db2.gz KXXMSKDUUSUYAM-UHFFFAOYSA-N -1 3 349.354 2.686 20 30 EFEDHM N#C[C@@]1(F)CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC001592670932 1094175140 /nfs/dbraw/zinc/17/51/40/1094175140.db2.gz VPVSSQNPJLAGKF-HNNXBMFYSA-N -1 3 343.753 2.510 20 30 EFEDHM N#C[C@@]1(F)CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC001592670932 1094175143 /nfs/dbraw/zinc/17/51/43/1094175143.db2.gz VPVSSQNPJLAGKF-HNNXBMFYSA-N -1 3 343.753 2.510 20 30 EFEDHM N#C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)C1 ZINC001592673205 1094175269 /nfs/dbraw/zinc/17/52/69/1094175269.db2.gz VQPYMSYALYZPAD-SNVBAGLBSA-N -1 3 339.790 2.808 20 30 EFEDHM N#C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)C1 ZINC001592673205 1094175275 /nfs/dbraw/zinc/17/52/75/1094175275.db2.gz VQPYMSYALYZPAD-SNVBAGLBSA-N -1 3 339.790 2.808 20 30 EFEDHM N#C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001592672035 1094175322 /nfs/dbraw/zinc/17/53/22/1094175322.db2.gz BCFWJYPPQUDSHG-ONGXEEELSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001592672035 1094175330 /nfs/dbraw/zinc/17/53/30/1094175330.db2.gz BCFWJYPPQUDSHG-ONGXEEELSA-N -1 3 331.763 2.759 20 30 EFEDHM N#CCCCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001592676081 1094175415 /nfs/dbraw/zinc/17/54/15/1094175415.db2.gz AADGWJYCNJNHPO-UHFFFAOYSA-N -1 3 336.403 2.508 20 30 EFEDHM N#CCCCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001592676081 1094175419 /nfs/dbraw/zinc/17/54/19/1094175419.db2.gz AADGWJYCNJNHPO-UHFFFAOYSA-N -1 3 336.403 2.508 20 30 EFEDHM N#CCCN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001592676927 1094176167 /nfs/dbraw/zinc/17/61/67/1094176167.db2.gz JXESYFPBTKNMRC-UHFFFAOYSA-N -1 3 349.320 2.515 20 30 EFEDHM N#CCCN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001592676927 1094176170 /nfs/dbraw/zinc/17/61/70/1094176170.db2.gz JXESYFPBTKNMRC-UHFFFAOYSA-N -1 3 349.320 2.515 20 30 EFEDHM N#CCCc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592677470 1094176506 /nfs/dbraw/zinc/17/65/06/1094176506.db2.gz BIJUTVICPJPEGW-UHFFFAOYSA-N -1 3 347.382 2.645 20 30 EFEDHM N#CCCc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592677470 1094176509 /nfs/dbraw/zinc/17/65/09/1094176509.db2.gz BIJUTVICPJPEGW-UHFFFAOYSA-N -1 3 347.382 2.645 20 30 EFEDHM N#Cc1cc(Cl)ccc1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001592688281 1094177265 /nfs/dbraw/zinc/17/72/65/1094177265.db2.gz MTVQSFNVQDXMJO-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(Cl)ccc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001592688281 1094177267 /nfs/dbraw/zinc/17/72/67/1094177267.db2.gz MTVQSFNVQDXMJO-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(C3CC3)cc2)ccc1-c1nnn[n-]1 ZINC001592690111 1094177901 /nfs/dbraw/zinc/17/79/01/1094177901.db2.gz LWZABVKTAWZMCC-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(C3CC3)cc2)ccc1-c1nn[n-]n1 ZINC001592690111 1094177903 /nfs/dbraw/zinc/17/79/03/1094177903.db2.gz LWZABVKTAWZMCC-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cc(Cl)ccc1CN1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001592688379 1094177976 /nfs/dbraw/zinc/17/79/76/1094177976.db2.gz VEBMAAWQMBOGIS-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cc(Cl)ccc1CN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001592688379 1094177981 /nfs/dbraw/zinc/17/79/81/1094177981.db2.gz VEBMAAWQMBOGIS-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1ccc(C2(C(=O)OCc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC001592691441 1094179429 /nfs/dbraw/zinc/17/94/29/1094179429.db2.gz VWVOOEHDYSDXAE-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM N#Cc1ccc(C2(C(=O)OCc3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC001592691441 1094179434 /nfs/dbraw/zinc/17/94/34/1094179434.db2.gz VWVOOEHDYSDXAE-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM N#Cc1ccc([C@H](O)COc2cc(Cl)cc(-c3nnn[n-]3)c2)cc1 ZINC001592691346 1094179470 /nfs/dbraw/zinc/17/94/70/1094179470.db2.gz POMDCJLLHBKROD-OAHLLOKOSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1ccc([C@H](O)COc2cc(Cl)cc(-c3nn[n-]n3)c2)cc1 ZINC001592691346 1094179473 /nfs/dbraw/zinc/17/94/73/1094179473.db2.gz POMDCJLLHBKROD-OAHLLOKOSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592697656 1094179942 /nfs/dbraw/zinc/17/99/42/1094179942.db2.gz MAVIILNDVJJSHB-CQSZACIVSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592697656 1094179945 /nfs/dbraw/zinc/17/99/45/1094179945.db2.gz MAVIILNDVJJSHB-CQSZACIVSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2CCOc1ccccc1-c1nnn[n-]1 ZINC001592698220 1094180361 /nfs/dbraw/zinc/18/03/61/1094180361.db2.gz PHLWOARFFWWFPF-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2CCOc1ccccc1-c1nn[n-]n1 ZINC001592698220 1094180366 /nfs/dbraw/zinc/18/03/66/1094180366.db2.gz PHLWOARFFWWFPF-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccccc2OC2CC2)cc1-c1nnn[n-]1 ZINC001592696168 1094180516 /nfs/dbraw/zinc/18/05/16/1094180516.db2.gz MDEOIHFWPCLJEL-UHFFFAOYSA-N -1 3 346.350 2.532 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccccc2OC2CC2)cc1-c1nn[n-]n1 ZINC001592696168 1094180520 /nfs/dbraw/zinc/18/05/20/1094180520.db2.gz MDEOIHFWPCLJEL-UHFFFAOYSA-N -1 3 346.350 2.532 20 30 EFEDHM N#Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001592697447 1094180574 /nfs/dbraw/zinc/18/05/74/1094180574.db2.gz IHFLKCWKGZPYEG-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001592697447 1094180576 /nfs/dbraw/zinc/18/05/76/1094180576.db2.gz IHFLKCWKGZPYEG-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592697793 1094180599 /nfs/dbraw/zinc/18/05/99/1094180599.db2.gz SHGFESALZPOFAN-KRWDZBQOSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592697793 1094180602 /nfs/dbraw/zinc/18/06/02/1094180602.db2.gz SHGFESALZPOFAN-KRWDZBQOSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c([N+](=O)[O-])c1 ZINC001592696261 1094180614 /nfs/dbraw/zinc/18/06/14/1094180614.db2.gz UJEIEFWCJQJXLP-CQSZACIVSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c([N+](=O)[O-])c1 ZINC001592696261 1094180615 /nfs/dbraw/zinc/18/06/15/1094180615.db2.gz UJEIEFWCJQJXLP-CQSZACIVSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(OCCCOc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001592695877 1094180653 /nfs/dbraw/zinc/18/06/53/1094180653.db2.gz QFWYXVNVOWJTPL-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1ccc(OCCCOc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001592695877 1094180655 /nfs/dbraw/zinc/18/06/55/1094180655.db2.gz QFWYXVNVOWJTPL-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1ccc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c(F)c1 ZINC001592696712 1094180678 /nfs/dbraw/zinc/18/06/78/1094180678.db2.gz SFGLPFWXTGBZMM-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1ccc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(F)c1 ZINC001592696712 1094180679 /nfs/dbraw/zinc/18/06/79/1094180679.db2.gz SFGLPFWXTGBZMM-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1ccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1-c1nnn[n-]1 ZINC001592695544 1094180696 /nfs/dbraw/zinc/18/06/96/1094180696.db2.gz UNMNJZPSXURPDK-KBPBESRZSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc(NC(=O)C2[C@H]3CCCCCC[C@H]23)cc1-c1nn[n-]n1 ZINC001592695544 1094180697 /nfs/dbraw/zinc/18/06/97/1094180697.db2.gz UNMNJZPSXURPDK-KBPBESRZSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1SC1CCC2(CC1)OCCO2 ZINC001592700737 1094181354 /nfs/dbraw/zinc/18/13/54/1094181354.db2.gz RUASTFZAIXWUHJ-UHFFFAOYSA-N -1 3 343.412 2.516 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1SC1CCC2(CC1)OCCO2 ZINC001592700737 1094181362 /nfs/dbraw/zinc/18/13/62/1094181362.db2.gz RUASTFZAIXWUHJ-UHFFFAOYSA-N -1 3 343.412 2.516 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1cccc2ncccc12 ZINC001592699944 1094181424 /nfs/dbraw/zinc/18/14/24/1094181424.db2.gz UBIMOWXJDKJJQB-UHFFFAOYSA-N -1 3 327.351 2.899 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1cccc2ncccc12 ZINC001592699944 1094181426 /nfs/dbraw/zinc/18/14/26/1094181426.db2.gz UBIMOWXJDKJJQB-UHFFFAOYSA-N -1 3 327.351 2.899 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCOc1ccc(F)cc1 ZINC001592699957 1094181703 /nfs/dbraw/zinc/18/17/03/1094181703.db2.gz UNQWNBRVOFOIMA-UHFFFAOYSA-N -1 3 338.346 2.758 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCOc1ccc(F)cc1 ZINC001592699957 1094181705 /nfs/dbraw/zinc/18/17/05/1094181705.db2.gz UNQWNBRVOFOIMA-UHFFFAOYSA-N -1 3 338.346 2.758 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCSC2(CCCCC2)C1 ZINC001592698911 1094182134 /nfs/dbraw/zinc/18/21/34/1094182134.db2.gz LWFZSWSGVICVGY-UHFFFAOYSA-N -1 3 340.456 2.994 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCSC2(CCCCC2)C1 ZINC001592698911 1094182136 /nfs/dbraw/zinc/18/21/36/1094182136.db2.gz LWFZSWSGVICVGY-UHFFFAOYSA-N -1 3 340.456 2.994 20 30 EFEDHM N#Cc1cscc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001592706510 1094183091 /nfs/dbraw/zinc/18/30/91/1094183091.db2.gz VARSBHJWBDNDND-UHFFFAOYSA-N -1 3 345.771 2.810 20 30 EFEDHM N#Cc1cscc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001592706510 1094183094 /nfs/dbraw/zinc/18/30/94/1094183094.db2.gz VARSBHJWBDNDND-UHFFFAOYSA-N -1 3 345.771 2.810 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccnn1C1CCC1 ZINC001592790980 1094186821 /nfs/dbraw/zinc/18/68/21/1094186821.db2.gz BGDIPSCZLZWJMG-XQRVVYSFSA-N -1 3 326.385 2.746 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cccn2)cc1 ZINC001592793406 1094187716 /nfs/dbraw/zinc/18/77/16/1094187716.db2.gz BXXNYLCBUJBMDK-BJMVGYQFSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC001592793406 1094187718 /nfs/dbraw/zinc/18/77/18/1094187718.db2.gz BXXNYLCBUJBMDK-BJMVGYQFSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1csc(-c2nnn[n-]2)c1)c1cnn(CC2CCC2)c1 ZINC001592804052 1094191764 /nfs/dbraw/zinc/19/17/64/1094191764.db2.gz SZMHRJPGDHIOPI-SNAWJCMRSA-N -1 3 340.412 2.821 20 30 EFEDHM O=C(C=Cc1nccn1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001592803307 1094191793 /nfs/dbraw/zinc/19/17/93/1094191793.db2.gz LAMJRRUBWMHKBP-KTKRTIGZSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1nccn1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001592803307 1094191795 /nfs/dbraw/zinc/19/17/95/1094191795.db2.gz LAMJRRUBWMHKBP-KTKRTIGZSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCC#CC1CCCCC1 ZINC001592849738 1094197327 /nfs/dbraw/zinc/19/73/27/1094197327.db2.gz FILCDZUOGNLJCA-UHFFFAOYSA-N -1 3 338.411 2.926 20 30 EFEDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCC#CC1CCCCC1 ZINC001592849738 1094197329 /nfs/dbraw/zinc/19/73/29/1094197329.db2.gz FILCDZUOGNLJCA-UHFFFAOYSA-N -1 3 338.411 2.926 20 30 EFEDHM O=C(OCC#Cc1ccccc1)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001593280505 1094263058 /nfs/dbraw/zinc/26/30/58/1094263058.db2.gz KCPSAXISCOVCBF-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM O=C(OCC#Cc1ccccc1)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001593280505 1094263063 /nfs/dbraw/zinc/26/30/63/1094263063.db2.gz KCPSAXISCOVCBF-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM O=C(c1cccc(-c2nnn[n-]2)c1)N(O)CCCCc1ccccc1 ZINC001593349215 1094295469 /nfs/dbraw/zinc/29/54/69/1094295469.db2.gz IVWAYSLOLVHGOQ-UHFFFAOYSA-N -1 3 337.383 2.721 20 30 EFEDHM O=C(c1cccc(-c2nn[n-]n2)c1)N(O)CCCCc1ccccc1 ZINC001593349215 1094295478 /nfs/dbraw/zinc/29/54/78/1094295478.db2.gz IVWAYSLOLVHGOQ-UHFFFAOYSA-N -1 3 337.383 2.721 20 30 EFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC001593380086 1094302935 /nfs/dbraw/zinc/30/29/35/1094302935.db2.gz MOBYQTJAVCEYJR-WZUFQYTHSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC001593380086 1094302944 /nfs/dbraw/zinc/30/29/44/1094302944.db2.gz MOBYQTJAVCEYJR-WZUFQYTHSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Oc2cc(F)cc(F)c21 ZINC001593376455 1094303535 /nfs/dbraw/zinc/30/35/35/1094303535.db2.gz OADFIMWXSMVADC-BJMVGYQFSA-N -1 3 332.291 2.823 20 30 EFEDHM OCCC[C@@H]1CCCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001593530463 1094348505 /nfs/dbraw/zinc/34/85/05/1094348505.db2.gz GXGGNBDMQDSFJE-JTQLQIEISA-N -1 3 349.826 2.646 20 30 EFEDHM OCCC[C@@H]1CCCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001593530463 1094348507 /nfs/dbraw/zinc/34/85/07/1094348507.db2.gz GXGGNBDMQDSFJE-JTQLQIEISA-N -1 3 349.826 2.646 20 30 EFEDHM Oc1cccc(C=NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c1O ZINC001593540320 1094352939 /nfs/dbraw/zinc/35/29/39/1094352939.db2.gz SUWHEAANMPAQOS-CAOOACKPSA-N -1 3 329.747 2.550 20 30 EFEDHM Oc1cccc(C=NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c1O ZINC001593540320 1094352954 /nfs/dbraw/zinc/35/29/54/1094352954.db2.gz SUWHEAANMPAQOS-CAOOACKPSA-N -1 3 329.747 2.550 20 30 EFEDHM c1cc2ncnc(N=NC3CCc4ccc(-c5nnn[n-]5)cc43)c2s1 ZINC001593590735 1094402643 /nfs/dbraw/zinc/40/26/43/1094402643.db2.gz DFMUOVXDLPNDDC-UHFFFAOYSA-N -1 3 348.395 2.634 20 30 EFEDHM c1cc2ncnc(N=NC3CCc4ccc(-c5nn[n-]n5)cc43)c2s1 ZINC001593590735 1094402650 /nfs/dbraw/zinc/40/26/50/1094402650.db2.gz DFMUOVXDLPNDDC-UHFFFAOYSA-N -1 3 348.395 2.634 20 30 EFEDHM Cc1c(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC001600011655 1094718899 /nfs/dbraw/zinc/71/88/99/1094718899.db2.gz KYPVZMMUIZOXBS-MRXNPFEDSA-N -1 3 325.324 2.690 20 30 EFEDHM Cc1ccccc1[C@@H](C(=O)[O-])N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001600567490 1095170870 /nfs/dbraw/zinc/17/08/70/1095170870.db2.gz NTRYJVUBBQRIPB-FQEVSTJZSA-N -1 3 349.434 2.810 20 30 EFEDHM N#CC1(C(=O)[O-])CCN(CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001601052607 1095481757 /nfs/dbraw/zinc/48/17/57/1095481757.db2.gz UFHLZXJMSXVHRD-UHFFFAOYSA-N -1 3 342.317 2.818 20 30 EFEDHM N#C[C@@H]1CC[C@H](N[C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)C1 ZINC001601060121 1095486314 /nfs/dbraw/zinc/48/63/14/1095486314.db2.gz XFDCUIVDKSWPQY-NRUUGDAUSA-N -1 3 328.290 2.993 20 30 EFEDHM N#CCc1cccc2c1CCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001601077481 1095493334 /nfs/dbraw/zinc/49/33/34/1095493334.db2.gz CKTKKOASDVUFBA-IBGZPJMESA-N -1 3 331.375 2.808 20 30 EFEDHM CC(C)(C)[C@@H](CNc1ccc(C#N)cn1)NC(=O)c1ccccc1[O-] ZINC001125810931 1095499231 /nfs/dbraw/zinc/49/92/31/1095499231.db2.gz HXNOTIOEXADTKP-MRXNPFEDSA-N -1 3 338.411 2.915 20 30 EFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC001601094172 1095504435 /nfs/dbraw/zinc/50/44/35/1095504435.db2.gz HUTWUZUAILNEFL-BRWVUGGUSA-N -1 3 326.396 2.717 20 30 EFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC001601095112 1095507059 /nfs/dbraw/zinc/50/70/59/1095507059.db2.gz HQWUGVRCXHMXRD-ZWKOTPCHSA-N -1 3 348.406 2.564 20 30 EFEDHM N#Cc1ccc(CN(CCc2ccccc2)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC001601097354 1095509928 /nfs/dbraw/zinc/50/99/28/1095509928.db2.gz CBSCDYMWYRPVOM-UHFFFAOYSA-N -1 3 339.351 2.596 20 30 EFEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2Cc3cccnc3N3CCC[C@H]3C2)c1 ZINC001601117915 1095523685 /nfs/dbraw/zinc/52/36/85/1095523685.db2.gz GKCKRBFHJXRESA-ROUUACIJSA-N -1 3 348.406 2.564 20 30 EFEDHM N#Cc1cccc(C2(NCc3ccoc3C(=O)[O-])CCOCC2)c1 ZINC001601120463 1095525263 /nfs/dbraw/zinc/52/52/63/1095525263.db2.gz VUWYBBZZXYJNRC-UHFFFAOYSA-N -1 3 326.352 2.645 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602696835 1096352579 /nfs/dbraw/zinc/35/25/79/1096352579.db2.gz FVVQBGYOCRDFHM-HNNXBMFYSA-N -1 3 348.366 2.821 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602696835 1096352586 /nfs/dbraw/zinc/35/25/86/1096352586.db2.gz FVVQBGYOCRDFHM-HNNXBMFYSA-N -1 3 348.366 2.821 20 30 EFEDHM C#CCC1(C(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)CCCCC1 ZINC001602699176 1096353632 /nfs/dbraw/zinc/35/36/32/1096353632.db2.gz DYXAWHOABBEFMF-UHFFFAOYSA-N -1 3 335.411 2.730 20 30 EFEDHM C#CCC1(C(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)CCCCC1 ZINC001602699176 1096353639 /nfs/dbraw/zinc/35/36/39/1096353639.db2.gz DYXAWHOABBEFMF-UHFFFAOYSA-N -1 3 335.411 2.730 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001602696916 1096353651 /nfs/dbraw/zinc/35/36/51/1096353651.db2.gz HJSNWUHYCMJEDD-CQSZACIVSA-N -1 3 338.392 2.720 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001602696916 1096353658 /nfs/dbraw/zinc/35/36/58/1096353658.db2.gz HJSNWUHYCMJEDD-CQSZACIVSA-N -1 3 338.392 2.720 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001602697944 1096353737 /nfs/dbraw/zinc/35/37/37/1096353737.db2.gz WJVPDNZUEWIEKB-QGZVFWFLSA-N -1 3 345.406 2.540 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001602697944 1096353743 /nfs/dbraw/zinc/35/37/43/1096353743.db2.gz WJVPDNZUEWIEKB-QGZVFWFLSA-N -1 3 345.406 2.540 20 30 EFEDHM C#CC[C@H](CCOC)Nc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001602697750 1096353775 /nfs/dbraw/zinc/35/37/75/1096353775.db2.gz QXWLRKDVRTUSAV-LLVKDONJSA-N -1 3 339.321 2.726 20 30 EFEDHM C#CC[C@H](CCOC)Nc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001602697750 1096353776 /nfs/dbraw/zinc/35/37/76/1096353776.db2.gz QXWLRKDVRTUSAV-LLVKDONJSA-N -1 3 339.321 2.726 20 30 EFEDHM C#CCCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001602711143 1096355670 /nfs/dbraw/zinc/35/56/70/1096355670.db2.gz JPOOEKGGKYGGRO-UHFFFAOYSA-N -1 3 332.433 2.761 20 30 EFEDHM C#CCCCNC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001602711143 1096355675 /nfs/dbraw/zinc/35/56/75/1096355675.db2.gz JPOOEKGGKYGGRO-UHFFFAOYSA-N -1 3 332.433 2.761 20 30 EFEDHM C#CCCCCNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602711245 1096355762 /nfs/dbraw/zinc/35/57/62/1096355762.db2.gz OIRGSTYBCIEJBC-UHFFFAOYSA-N -1 3 337.427 2.598 20 30 EFEDHM C#CCCCCNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602711245 1096355765 /nfs/dbraw/zinc/35/57/65/1096355765.db2.gz OIRGSTYBCIEJBC-UHFFFAOYSA-N -1 3 337.427 2.598 20 30 EFEDHM C#CCN1CCC(C(=O)Nc2c(C)cc(Cl)cc2C(=O)[O-])CC1 ZINC001602720736 1096357183 /nfs/dbraw/zinc/35/71/83/1096357183.db2.gz FITDWVPFLLQHMW-UHFFFAOYSA-N -1 3 334.803 2.630 20 30 EFEDHM C#CCOc1cccc(NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)c1 ZINC001602732296 1096357695 /nfs/dbraw/zinc/35/76/95/1096357695.db2.gz VQKSFWVLNKPFQW-UHFFFAOYSA-N -1 3 347.378 2.748 20 30 EFEDHM C#CCOc1cccc(NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)c1 ZINC001602732296 1096357699 /nfs/dbraw/zinc/35/76/99/1096357699.db2.gz VQKSFWVLNKPFQW-UHFFFAOYSA-N -1 3 347.378 2.748 20 30 EFEDHM C#CCc1c(C)nn(-c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1C ZINC001602732819 1096357779 /nfs/dbraw/zinc/35/77/79/1096357779.db2.gz IVVZWSKFLBVYDF-UHFFFAOYSA-N -1 3 346.316 2.864 20 30 EFEDHM C#CCc1c(C)nn(-c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1C ZINC001602732819 1096357786 /nfs/dbraw/zinc/35/77/86/1096357786.db2.gz IVVZWSKFLBVYDF-UHFFFAOYSA-N -1 3 346.316 2.864 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001602741556 1096360028 /nfs/dbraw/zinc/36/00/28/1096360028.db2.gz NRVLFAYHDAHSQT-GFCCVEGCSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602741556 1096360036 /nfs/dbraw/zinc/36/00/36/1096360036.db2.gz NRVLFAYHDAHSQT-GFCCVEGCSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC001602741297 1096360169 /nfs/dbraw/zinc/36/01/69/1096360169.db2.gz DWDUNAXPOAOCIO-UHFFFAOYSA-N -1 3 348.366 2.525 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC001602741297 1096360174 /nfs/dbraw/zinc/36/01/74/1096360174.db2.gz DWDUNAXPOAOCIO-UHFFFAOYSA-N -1 3 348.366 2.525 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001602741557 1096360459 /nfs/dbraw/zinc/36/04/59/1096360459.db2.gz NRVLFAYHDAHSQT-LBPRGKRZSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602741557 1096360467 /nfs/dbraw/zinc/36/04/67/1096360467.db2.gz NRVLFAYHDAHSQT-LBPRGKRZSA-N -1 3 332.367 2.731 20 30 EFEDHM C=C(C)[C@H](CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21)OCC ZINC001602753749 1096363899 /nfs/dbraw/zinc/36/38/99/1096363899.db2.gz SYRVQYZOWNNUSN-INIZCTEOSA-N -1 3 341.415 2.517 20 30 EFEDHM C=C(C)[C@H](CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21)OCC ZINC001602753749 1096363903 /nfs/dbraw/zinc/36/39/03/1096363903.db2.gz SYRVQYZOWNNUSN-INIZCTEOSA-N -1 3 341.415 2.517 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001602752319 1096364031 /nfs/dbraw/zinc/36/40/31/1096364031.db2.gz AXHHIOAAQNPXDX-LLVKDONJSA-N -1 3 326.404 2.681 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001602752319 1096364040 /nfs/dbraw/zinc/36/40/40/1096364040.db2.gz AXHHIOAAQNPXDX-LLVKDONJSA-N -1 3 326.404 2.681 20 30 EFEDHM C=C(C)CCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602758847 1096364562 /nfs/dbraw/zinc/36/45/62/1096364562.db2.gz RJDBGBSAXLBYAE-UHFFFAOYSA-N -1 3 338.415 2.632 20 30 EFEDHM C=C(C)CCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602758847 1096364570 /nfs/dbraw/zinc/36/45/70/1096364570.db2.gz RJDBGBSAXLBYAE-UHFFFAOYSA-N -1 3 338.415 2.632 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CC1 ZINC001602762588 1096365890 /nfs/dbraw/zinc/36/58/90/1096365890.db2.gz ZUMYWWZKSMCBEI-UHFFFAOYSA-N -1 3 349.406 2.615 20 30 EFEDHM C=C(C)Cn1c(-c2cccc(-c3nnn[n-]3)c2)nnc1N(C)CCC ZINC001602763641 1096366579 /nfs/dbraw/zinc/36/65/79/1096366579.db2.gz VVNZLCNCGJXBAV-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=C(C)Cn1c(-c2cccc(-c3nn[n-]n3)c2)nnc1N(C)CCC ZINC001602763641 1096366590 /nfs/dbraw/zinc/36/65/90/1096366590.db2.gz VVNZLCNCGJXBAV-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=C(CC(C)C)C(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc21 ZINC001602769609 1096367540 /nfs/dbraw/zinc/36/75/40/1096367540.db2.gz BHGVFAMMIFKGMY-UHFFFAOYSA-N -1 3 325.376 2.592 20 30 EFEDHM C=C(CC(C)C)C(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc21 ZINC001602769609 1096367548 /nfs/dbraw/zinc/36/75/48/1096367548.db2.gz BHGVFAMMIFKGMY-UHFFFAOYSA-N -1 3 325.376 2.592 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ncc(Br)cc1-c1nnn[n-]1 ZINC001602773187 1096368151 /nfs/dbraw/zinc/36/81/51/1096368151.db2.gz OWYWICZNYVQNAR-PHIMTYICSA-N -1 3 347.220 2.712 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ncc(Br)cc1-c1nn[n-]n1 ZINC001602773187 1096368159 /nfs/dbraw/zinc/36/81/59/1096368159.db2.gz OWYWICZNYVQNAR-PHIMTYICSA-N -1 3 347.220 2.712 20 30 EFEDHM C=C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001602780425 1096369288 /nfs/dbraw/zinc/36/92/88/1096369288.db2.gz MVFDDMAUSPHKHP-ZDUSSCGKSA-N -1 3 325.397 2.514 20 30 EFEDHM C=CC(C)(C)CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001602786802 1096370129 /nfs/dbraw/zinc/37/01/29/1096370129.db2.gz KLISNWQGMVRJST-UHFFFAOYSA-N -1 3 326.404 2.681 20 30 EFEDHM C=CC(C)(C)CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001602786802 1096370138 /nfs/dbraw/zinc/37/01/38/1096370138.db2.gz KLISNWQGMVRJST-UHFFFAOYSA-N -1 3 326.404 2.681 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602786944 1096370192 /nfs/dbraw/zinc/37/01/92/1096370192.db2.gz RGBXAZAEMHIYDE-ZHACJKMWSA-N -1 3 325.416 2.989 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602786944 1096370202 /nfs/dbraw/zinc/37/02/02/1096370202.db2.gz RGBXAZAEMHIYDE-ZHACJKMWSA-N -1 3 325.416 2.989 20 30 EFEDHM C=CC(C)(C)CCNC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602787024 1096370831 /nfs/dbraw/zinc/37/08/31/1096370831.db2.gz VUMNDVKLGCWGOI-UHFFFAOYSA-N -1 3 327.432 2.863 20 30 EFEDHM C=CC(C)(C)CCNC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602787024 1096370836 /nfs/dbraw/zinc/37/08/36/1096370836.db2.gz VUMNDVKLGCWGOI-UHFFFAOYSA-N -1 3 327.432 2.863 20 30 EFEDHM C=C[C@@H](CC(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001602799479 1096371562 /nfs/dbraw/zinc/37/15/62/1096371562.db2.gz BVZHRBWZWHUOBW-ZDUSSCGKSA-N -1 3 334.383 2.584 20 30 EFEDHM C=C[C@@H](CC(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001602799479 1096371567 /nfs/dbraw/zinc/37/15/67/1096371567.db2.gz BVZHRBWZWHUOBW-ZDUSSCGKSA-N -1 3 334.383 2.584 20 30 EFEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602801828 1096371863 /nfs/dbraw/zinc/37/18/63/1096371863.db2.gz WWMNQRINKWTQAB-VXGBXAGGSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@H](CC)CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602801828 1096371872 /nfs/dbraw/zinc/37/18/72/1096371872.db2.gz WWMNQRINKWTQAB-VXGBXAGGSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602801823 1096372232 /nfs/dbraw/zinc/37/22/32/1096372232.db2.gz WWMNQRINKWTQAB-NWDGAFQWSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@H](CC)CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602801823 1096372238 /nfs/dbraw/zinc/37/22/38/1096372238.db2.gz WWMNQRINKWTQAB-NWDGAFQWSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001602800056 1096372431 /nfs/dbraw/zinc/37/24/31/1096372431.db2.gz IXSMNQFADSGJPX-LBPRGKRZSA-N -1 3 346.410 2.526 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001602800056 1096372439 /nfs/dbraw/zinc/37/24/39/1096372439.db2.gz IXSMNQFADSGJPX-LBPRGKRZSA-N -1 3 346.410 2.526 20 30 EFEDHM C=C[C@](C)(CC)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC001602795408 1096372643 /nfs/dbraw/zinc/37/26/43/1096372643.db2.gz RKDUOEJXIMONDW-QGZVFWFLSA-N -1 3 339.403 2.777 20 30 EFEDHM C=C[C@](C)(CC)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC001602795408 1096372649 /nfs/dbraw/zinc/37/26/49/1096372649.db2.gz RKDUOEJXIMONDW-QGZVFWFLSA-N -1 3 339.403 2.777 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001602803164 1096373485 /nfs/dbraw/zinc/37/34/85/1096373485.db2.gz ICZBSORLMRINRX-SNVBAGLBSA-N -1 3 346.366 2.587 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001602803164 1096373489 /nfs/dbraw/zinc/37/34/89/1096373489.db2.gz ICZBSORLMRINRX-SNVBAGLBSA-N -1 3 346.366 2.587 20 30 EFEDHM C=C[C@H](CC)CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC001602804668 1096374339 /nfs/dbraw/zinc/37/43/39/1096374339.db2.gz VUPSTLOCONPRIR-GFCCVEGCSA-N -1 3 337.387 2.593 20 30 EFEDHM C=CCC1(NC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)CCCCC1 ZINC001602818267 1096374982 /nfs/dbraw/zinc/37/49/82/1096374982.db2.gz JYHVXKLJJLLCBY-UHFFFAOYSA-N -1 3 326.404 2.579 20 30 EFEDHM C=CCC1(NC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)CCCCC1 ZINC001602818267 1096374988 /nfs/dbraw/zinc/37/49/88/1096374988.db2.gz JYHVXKLJJLLCBY-UHFFFAOYSA-N -1 3 326.404 2.579 20 30 EFEDHM C=CCC1(C(=O)Nc2cc(OC)c(-c3nnn[n-]3)cc2F)CCC1 ZINC001602818813 1096375281 /nfs/dbraw/zinc/37/52/81/1096375281.db2.gz XKGBMJFPKNEZMR-UHFFFAOYSA-N -1 3 331.351 2.699 20 30 EFEDHM C=CCC1(C(=O)Nc2cc(OC)c(-c3nn[n-]n3)cc2F)CCC1 ZINC001602818813 1096375291 /nfs/dbraw/zinc/37/52/91/1096375291.db2.gz XKGBMJFPKNEZMR-UHFFFAOYSA-N -1 3 331.351 2.699 20 30 EFEDHM C=CCC1(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCCC1 ZINC001602818402 1096375469 /nfs/dbraw/zinc/37/54/69/1096375469.db2.gz QDDLKNLNQDJDLY-UHFFFAOYSA-N -1 3 344.394 2.694 20 30 EFEDHM C=CCC1(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCCC1 ZINC001602818402 1096375475 /nfs/dbraw/zinc/37/54/75/1096375475.db2.gz QDDLKNLNQDJDLY-UHFFFAOYSA-N -1 3 344.394 2.694 20 30 EFEDHM C=CCC(C)(C)CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602808880 1096376083 /nfs/dbraw/zinc/37/60/83/1096376083.db2.gz MHXJYZQXWOURPS-UHFFFAOYSA-N -1 3 330.392 2.599 20 30 EFEDHM C=CCC(C)(C)CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602808880 1096376091 /nfs/dbraw/zinc/37/60/91/1096376091.db2.gz MHXJYZQXWOURPS-UHFFFAOYSA-N -1 3 330.392 2.599 20 30 EFEDHM C=CCC(CC=C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602816970 1096376523 /nfs/dbraw/zinc/37/65/23/1096376523.db2.gz XPFPYMANTFYIPV-UHFFFAOYSA-N -1 3 343.343 2.587 20 30 EFEDHM C=CCC(CC=C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602816970 1096376528 /nfs/dbraw/zinc/37/65/28/1096376528.db2.gz XPFPYMANTFYIPV-UHFFFAOYSA-N -1 3 343.343 2.587 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602823002 1096377025 /nfs/dbraw/zinc/37/70/25/1096377025.db2.gz HIBNOGLDBDCEIX-DGCLKSJQSA-N -1 3 327.392 2.518 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602823002 1096377033 /nfs/dbraw/zinc/37/70/33/1096377033.db2.gz HIBNOGLDBDCEIX-DGCLKSJQSA-N -1 3 327.392 2.518 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602823001 1096377272 /nfs/dbraw/zinc/37/72/72/1096377272.db2.gz HIBNOGLDBDCEIX-AAEUAGOBSA-N -1 3 327.392 2.518 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602823001 1096377278 /nfs/dbraw/zinc/37/72/78/1096377278.db2.gz HIBNOGLDBDCEIX-AAEUAGOBSA-N -1 3 327.392 2.518 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602834173 1096378740 /nfs/dbraw/zinc/37/87/40/1096378740.db2.gz JIIFFGJDUDUTHZ-LLVKDONJSA-N -1 3 332.383 2.550 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602834173 1096378747 /nfs/dbraw/zinc/37/87/47/1096378747.db2.gz JIIFFGJDUDUTHZ-LLVKDONJSA-N -1 3 332.383 2.550 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001602833821 1096379293 /nfs/dbraw/zinc/37/92/93/1096379293.db2.gz WLIPANZVZNRVLF-INIZCTEOSA-N -1 3 340.431 2.549 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001602833821 1096379305 /nfs/dbraw/zinc/37/93/05/1096379305.db2.gz WLIPANZVZNRVLF-INIZCTEOSA-N -1 3 340.431 2.549 20 30 EFEDHM C=CCCCC(=O)N1CCC(Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001602831987 1096379472 /nfs/dbraw/zinc/37/94/72/1096379472.db2.gz JMOAOSREIXGESY-UHFFFAOYSA-N -1 3 340.431 2.626 20 30 EFEDHM C=CCCCC(=O)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001602831987 1096379476 /nfs/dbraw/zinc/37/94/76/1096379476.db2.gz JMOAOSREIXGESY-UHFFFAOYSA-N -1 3 340.431 2.626 20 30 EFEDHM C=CCCC(C)(C)NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602833398 1096380173 /nfs/dbraw/zinc/38/01/73/1096380173.db2.gz LKQIWTXDLAEEBY-CYBMUJFWSA-N -1 3 327.432 2.906 20 30 EFEDHM C=CCCC(C)(C)NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602833398 1096380183 /nfs/dbraw/zinc/38/01/83/1096380183.db2.gz LKQIWTXDLAEEBY-CYBMUJFWSA-N -1 3 327.432 2.906 20 30 EFEDHM C=CCCCCCCNS(=O)(=O)c1c(C)cccc1-c1nnn[n-]1 ZINC001602838499 1096380907 /nfs/dbraw/zinc/38/09/07/1096380907.db2.gz ZTBPTPMAVCNKFH-UHFFFAOYSA-N -1 3 349.460 2.590 20 30 EFEDHM C=CCCCCCCNS(=O)(=O)c1c(C)cccc1-c1nn[n-]n1 ZINC001602838499 1096380914 /nfs/dbraw/zinc/38/09/14/1096380914.db2.gz ZTBPTPMAVCNKFH-UHFFFAOYSA-N -1 3 349.460 2.590 20 30 EFEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC001602847182 1096382870 /nfs/dbraw/zinc/38/28/70/1096382870.db2.gz KZMJSNPIISEECC-UHFFFAOYSA-N -1 3 335.367 2.708 20 30 EFEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC001602847182 1096382878 /nfs/dbraw/zinc/38/28/78/1096382878.db2.gz KZMJSNPIISEECC-UHFFFAOYSA-N -1 3 335.367 2.708 20 30 EFEDHM C=CCCSCCNc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001602846283 1096383401 /nfs/dbraw/zinc/38/34/01/1096383401.db2.gz HHJXALCPVHMWGN-UHFFFAOYSA-N -1 3 327.417 2.531 20 30 EFEDHM C=CCCSCCNc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001602846283 1096383409 /nfs/dbraw/zinc/38/34/09/1096383409.db2.gz HHJXALCPVHMWGN-UHFFFAOYSA-N -1 3 327.417 2.531 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](CCCC)C(=O)OC ZINC001602858287 1096386943 /nfs/dbraw/zinc/38/69/43/1096386943.db2.gz NCSQBQJNLOLZAJ-MRXNPFEDSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](CCCC)C(=O)OC ZINC001602858287 1096386952 /nfs/dbraw/zinc/38/69/52/1096386952.db2.gz NCSQBQJNLOLZAJ-MRXNPFEDSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1nccn1C1CC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602860034 1096388287 /nfs/dbraw/zinc/38/82/87/1096388287.db2.gz RURJBGAOHSWJCX-UHFFFAOYSA-N -1 3 335.415 2.586 20 30 EFEDHM C=CCN(Cc1nccn1C1CC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602860034 1096388295 /nfs/dbraw/zinc/38/82/95/1096388295.db2.gz RURJBGAOHSWJCX-UHFFFAOYSA-N -1 3 335.415 2.586 20 30 EFEDHM C=CCOc1ccc(CNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC001602871245 1096390357 /nfs/dbraw/zinc/39/03/57/1096390357.db2.gz WEDDMMXELIEODH-UHFFFAOYSA-N -1 3 347.382 2.691 20 30 EFEDHM C=CCOc1ccc(CNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC001602871245 1096390364 /nfs/dbraw/zinc/39/03/64/1096390364.db2.gz WEDDMMXELIEODH-UHFFFAOYSA-N -1 3 347.382 2.691 20 30 EFEDHM C=CCn1c(C)cc(C(=O)COc2cccc(-c3nnn[n-]3)c2)c1C ZINC001602879556 1096391317 /nfs/dbraw/zinc/39/13/17/1096391317.db2.gz JTHOZKZRGIZLRY-UHFFFAOYSA-N -1 3 337.383 2.733 20 30 EFEDHM C=CCn1c(C)cc(C(=O)COc2cccc(-c3nn[n-]n3)c2)c1C ZINC001602879556 1096391324 /nfs/dbraw/zinc/39/13/24/1096391324.db2.gz JTHOZKZRGIZLRY-UHFFFAOYSA-N -1 3 337.383 2.733 20 30 EFEDHM CC#CCCCC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602892699 1096394199 /nfs/dbraw/zinc/39/41/99/1096394199.db2.gz XOKPROSFHPZXKT-CQSZACIVSA-N -1 3 325.416 2.970 20 30 EFEDHM CC#CCCCC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602892699 1096394205 /nfs/dbraw/zinc/39/42/05/1096394205.db2.gz XOKPROSFHPZXKT-CQSZACIVSA-N -1 3 325.416 2.970 20 30 EFEDHM CC(=NNC(=S)Nc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001602906318 1096397346 /nfs/dbraw/zinc/39/73/46/1096397346.db2.gz KXRXXUXDVLRHRP-UHFFFAOYSA-N -1 3 337.412 2.577 20 30 EFEDHM CC(=NNC(=S)Nc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001602906318 1096397352 /nfs/dbraw/zinc/39/73/52/1096397352.db2.gz KXRXXUXDVLRHRP-UHFFFAOYSA-N -1 3 337.412 2.577 20 30 EFEDHM CC(=NNCc1cnc2ccccc2c1)c1ccccc1-c1nnn[n-]1 ZINC001602908159 1096397404 /nfs/dbraw/zinc/39/74/04/1096397404.db2.gz NTHMYPVVVRCZBV-UHFFFAOYSA-N -1 3 343.394 2.929 20 30 EFEDHM CC(=NNCc1cnc2ccccc2c1)c1ccccc1-c1nn[n-]n1 ZINC001602908159 1096397410 /nfs/dbraw/zinc/39/74/10/1096397410.db2.gz NTHMYPVVVRCZBV-UHFFFAOYSA-N -1 3 343.394 2.929 20 30 EFEDHM C=CCc1cc(OCC)cc(CN2CCC(C#N)(C(=O)[O-])CC2)c1O ZINC001602926967 1096402624 /nfs/dbraw/zinc/40/26/24/1096402624.db2.gz SRCOXEAODYRSMU-UHFFFAOYSA-N -1 3 344.411 2.710 20 30 EFEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1ccc(C)c(C#N)c1 ZINC001602961656 1096408233 /nfs/dbraw/zinc/40/82/33/1096408233.db2.gz DHBOAGXGQZSTOF-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1ccc(C)c(C#N)c1 ZINC001602961656 1096408236 /nfs/dbraw/zinc/40/82/36/1096408236.db2.gz DHBOAGXGQZSTOF-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(C)(C)Oc1ccc(NC(=O)CC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001603034664 1096422190 /nfs/dbraw/zinc/42/21/90/1096422190.db2.gz OMUMMHWAKBAYGO-UHFFFAOYSA-N -1 3 342.403 2.922 20 30 EFEDHM CC(C)(C)Oc1ccc(NC(=O)CC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001603034664 1096422195 /nfs/dbraw/zinc/42/21/95/1096422195.db2.gz OMUMMHWAKBAYGO-UHFFFAOYSA-N -1 3 342.403 2.922 20 30 EFEDHM CC(C)(C)c1ncc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cn1 ZINC001603125617 1096452704 /nfs/dbraw/zinc/45/27/04/1096452704.db2.gz OICRFAYWWJGMGG-NSIKDUERSA-N -1 3 346.394 2.777 20 30 EFEDHM CC(C)(C)c1ncc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cn1 ZINC001603125617 1096452710 /nfs/dbraw/zinc/45/27/10/1096452710.db2.gz OICRFAYWWJGMGG-NSIKDUERSA-N -1 3 346.394 2.777 20 30 EFEDHM CC(C)(CCC#N)COC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001603139845 1096455961 /nfs/dbraw/zinc/45/59/61/1096455961.db2.gz ZJANFRUHTQNUPR-UHFFFAOYSA-N -1 3 339.399 2.771 20 30 EFEDHM CC(C)(CCC#N)COC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001603139845 1096455965 /nfs/dbraw/zinc/45/59/65/1096455965.db2.gz ZJANFRUHTQNUPR-UHFFFAOYSA-N -1 3 339.399 2.771 20 30 EFEDHM CC(C)(CC#N)CNc1nc2cc(Cl)ccn2c1-c1nnn[n-]1 ZINC001603135742 1096457109 /nfs/dbraw/zinc/45/71/09/1096457109.db2.gz RAQYFVDYPUYNCO-UHFFFAOYSA-N -1 3 330.783 2.520 20 30 EFEDHM CC(C)(CC#N)CNc1nc2cc(Cl)ccn2c1-c1nn[n-]n1 ZINC001603135742 1096457114 /nfs/dbraw/zinc/45/71/14/1096457114.db2.gz RAQYFVDYPUYNCO-UHFFFAOYSA-N -1 3 330.783 2.520 20 30 EFEDHM CC(C)n1cc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001603429450 1096525806 /nfs/dbraw/zinc/52/58/06/1096525806.db2.gz XYEPOWMIXVBEQB-VOTSOKGWSA-N -1 3 326.335 2.679 20 30 EFEDHM CC(C)n1cc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001603429450 1096525814 /nfs/dbraw/zinc/52/58/14/1096525814.db2.gz XYEPOWMIXVBEQB-VOTSOKGWSA-N -1 3 326.335 2.679 20 30 EFEDHM CC(C)n1nccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC001603435558 1096527434 /nfs/dbraw/zinc/52/74/34/1096527434.db2.gz AHXKGAADZFAXMB-RAXLEYEMSA-N -1 3 334.383 2.857 20 30 EFEDHM CC(C)n1nccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC001603435558 1096527439 /nfs/dbraw/zinc/52/74/39/1096527439.db2.gz AHXKGAADZFAXMB-RAXLEYEMSA-N -1 3 334.383 2.857 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC001603577396 1096556788 /nfs/dbraw/zinc/55/67/88/1096556788.db2.gz HRPJMDGYJQUUMT-XPKDYRNWSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC001603577396 1096556796 /nfs/dbraw/zinc/55/67/96/1096556796.db2.gz HRPJMDGYJQUUMT-XPKDYRNWSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001603683389 1096589550 /nfs/dbraw/zinc/58/95/50/1096589550.db2.gz IHCICPGEOBRMCK-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001603683389 1096589555 /nfs/dbraw/zinc/58/95/55/1096589555.db2.gz IHCICPGEOBRMCK-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H]1[C@@](F)(Cl)[C@@]1(C)CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001603836114 1096640768 /nfs/dbraw/zinc/64/07/68/1096640768.db2.gz PSKOMQLKNSIOPR-QNRPFLCFSA-N -1 3 344.181 2.873 20 30 EFEDHM C[C@@H]1[C@@](F)(Cl)[C@@]1(C)CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001603836114 1096640772 /nfs/dbraw/zinc/64/07/72/1096640772.db2.gz PSKOMQLKNSIOPR-QNRPFLCFSA-N -1 3 344.181 2.873 20 30 EFEDHM C[C@@H]1CCc2c(sc(NC(=O)CCCC#N)c2-c2nnn[n-]2)C1 ZINC001603908948 1096666746 /nfs/dbraw/zinc/66/67/46/1096666746.db2.gz AAPQQVFBWNTIGD-SECBINFHSA-N -1 3 330.417 2.685 20 30 EFEDHM C[C@@H]1CCc2c(sc(NC(=O)CCCC#N)c2-c2nn[n-]n2)C1 ZINC001603908948 1096666748 /nfs/dbraw/zinc/66/67/48/1096666748.db2.gz AAPQQVFBWNTIGD-SECBINFHSA-N -1 3 330.417 2.685 20 30 EFEDHM C[C@H]1c2ccccc2OCCN1c1c(C#N)cccc1-c1nnn[n-]1 ZINC001603954178 1096681708 /nfs/dbraw/zinc/68/17/08/1096681708.db2.gz BXQJBXMPXPKHHU-LBPRGKRZSA-N -1 3 332.367 2.698 20 30 EFEDHM C[C@H]1c2ccccc2OCCN1c1c(C#N)cccc1-c1nn[n-]n1 ZINC001603954178 1096681711 /nfs/dbraw/zinc/68/17/11/1096681711.db2.gz BXQJBXMPXPKHHU-LBPRGKRZSA-N -1 3 332.367 2.698 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001603980513 1096687162 /nfs/dbraw/zinc/68/71/62/1096687162.db2.gz SMECXBIUJHFTIC-OAHLLOKOSA-N -1 3 330.417 2.685 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001603980513 1096687165 /nfs/dbraw/zinc/68/71/65/1096687165.db2.gz SMECXBIUJHFTIC-OAHLLOKOSA-N -1 3 330.417 2.685 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001604125981 1096745143 /nfs/dbraw/zinc/74/51/43/1096745143.db2.gz QRPMVCJVNAKZMJ-UHFFFAOYSA-N -1 3 326.404 2.768 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001604125981 1096745148 /nfs/dbraw/zinc/74/51/48/1096745148.db2.gz QRPMVCJVNAKZMJ-UHFFFAOYSA-N -1 3 326.404 2.768 20 30 EFEDHM CCCCCCCS(=O)(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001604176026 1096762397 /nfs/dbraw/zinc/76/23/97/1096762397.db2.gz HTCCLLRESPIODY-UHFFFAOYSA-N -1 3 349.460 2.529 20 30 EFEDHM CCCCCCCS(=O)(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001604176026 1096762401 /nfs/dbraw/zinc/76/24/01/1096762401.db2.gz HTCCLLRESPIODY-UHFFFAOYSA-N -1 3 349.460 2.529 20 30 EFEDHM CCCNN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001604226381 1096779459 /nfs/dbraw/zinc/77/94/59/1096779459.db2.gz OKUKUBKMDOPLAT-UHFFFAOYSA-N -1 3 336.399 2.779 20 30 EFEDHM CCCNN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001604226381 1096779461 /nfs/dbraw/zinc/77/94/61/1096779461.db2.gz OKUKUBKMDOPLAT-UHFFFAOYSA-N -1 3 336.399 2.779 20 30 EFEDHM CCN(C)c1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001604273839 1096792061 /nfs/dbraw/zinc/79/20/61/1096792061.db2.gz VASIVBXVMSJUTE-VQHVLOKHSA-N -1 3 334.383 2.614 20 30 EFEDHM CCN(C)c1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001604273839 1096792069 /nfs/dbraw/zinc/79/20/69/1096792069.db2.gz VASIVBXVMSJUTE-VQHVLOKHSA-N -1 3 334.383 2.614 20 30 EFEDHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCCC#N ZINC001604445150 1096858898 /nfs/dbraw/zinc/85/88/98/1096858898.db2.gz VHYUKRFQEGLHSC-UHFFFAOYSA-N -1 3 349.778 2.908 20 30 EFEDHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCCC#N ZINC001604445150 1096858907 /nfs/dbraw/zinc/85/89/07/1096858907.db2.gz VHYUKRFQEGLHSC-UHFFFAOYSA-N -1 3 349.778 2.908 20 30 EFEDHM CCOc1ccc(CCN(C)c2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001604459084 1096864984 /nfs/dbraw/zinc/86/49/84/1096864984.db2.gz LLEXJNBPUHNEMU-UHFFFAOYSA-N -1 3 348.410 2.816 20 30 EFEDHM CCOc1ccc(CCN(C)c2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001604459084 1096864988 /nfs/dbraw/zinc/86/49/88/1096864988.db2.gz LLEXJNBPUHNEMU-UHFFFAOYSA-N -1 3 348.410 2.816 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001604510433 1096884362 /nfs/dbraw/zinc/88/43/62/1096884362.db2.gz COOZRMABXVWWKH-UHFFFAOYSA-N -1 3 338.396 2.543 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001604510433 1096884370 /nfs/dbraw/zinc/88/43/70/1096884370.db2.gz COOZRMABXVWWKH-UHFFFAOYSA-N -1 3 338.396 2.543 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2cscc2-c2nnn[n-]2)s1 ZINC001604511061 1096886833 /nfs/dbraw/zinc/88/68/33/1096886833.db2.gz QGCWOXQBDMMQHO-UHFFFAOYSA-N -1 3 330.398 2.676 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2cscc2-c2nn[n-]n2)s1 ZINC001604511061 1096886840 /nfs/dbraw/zinc/88/68/40/1096886840.db2.gz QGCWOXQBDMMQHO-UHFFFAOYSA-N -1 3 330.398 2.676 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001604808842 1096960707 /nfs/dbraw/zinc/96/07/07/1096960707.db2.gz QGYAUGHSLPRQLB-UHFFFAOYSA-N -1 3 347.407 2.984 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001604808842 1096960713 /nfs/dbraw/zinc/96/07/13/1096960713.db2.gz QGYAUGHSLPRQLB-UHFFFAOYSA-N -1 3 347.407 2.984 20 30 EFEDHM CN(Cc1cc(C#N)cs1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001604809289 1096961904 /nfs/dbraw/zinc/96/19/04/1096961904.db2.gz MVBQNZUXPKPEGB-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CCC#C[C@@H](C)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001604851393 1096969870 /nfs/dbraw/zinc/96/98/70/1096969870.db2.gz QCUYRYVQLHPEJA-PPXVZNSRSA-N -1 3 335.444 2.543 20 30 EFEDHM COC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001604971065 1096989970 /nfs/dbraw/zinc/98/99/70/1096989970.db2.gz KZBYSKQQAAQTKV-DHZHZOJOSA-N -1 3 334.335 2.549 20 30 EFEDHM COC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001604971065 1096989977 /nfs/dbraw/zinc/98/99/77/1096989977.db2.gz KZBYSKQQAAQTKV-DHZHZOJOSA-N -1 3 334.335 2.549 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001605169542 1097041776 /nfs/dbraw/zinc/04/17/76/1097041776.db2.gz KNDLWBCPMQBZJR-AWEZNQCLSA-N -1 3 348.366 2.511 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001605169542 1097041782 /nfs/dbraw/zinc/04/17/82/1097041782.db2.gz KNDLWBCPMQBZJR-AWEZNQCLSA-N -1 3 348.366 2.511 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001605169543 1097042032 /nfs/dbraw/zinc/04/20/32/1097042032.db2.gz KNDLWBCPMQBZJR-CQSZACIVSA-N -1 3 348.366 2.511 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001605169543 1097042038 /nfs/dbraw/zinc/04/20/38/1097042038.db2.gz KNDLWBCPMQBZJR-CQSZACIVSA-N -1 3 348.366 2.511 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001605303877 1097088967 /nfs/dbraw/zinc/08/89/67/1097088967.db2.gz YODVTNBTYQKHDL-ALCCZGGFSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001605303877 1097088970 /nfs/dbraw/zinc/08/89/70/1097088970.db2.gz YODVTNBTYQKHDL-ALCCZGGFSA-N -1 3 340.314 2.616 20 30 EFEDHM CSc1ccc(CNc2nccc(C)c2C#N)cc1-c1nnn[n-]1 ZINC001605387205 1097112913 /nfs/dbraw/zinc/11/29/13/1097112913.db2.gz FWPPHPJMTZKQDU-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM CSc1ccc(CNc2nccc(C)c2C#N)cc1-c1nn[n-]n1 ZINC001605387205 1097112916 /nfs/dbraw/zinc/11/29/16/1097112916.db2.gz FWPPHPJMTZKQDU-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)OCCC1(C#N)CCCCC1 ZINC001605453928 1097127954 /nfs/dbraw/zinc/12/79/54/1097127954.db2.gz GHNCCDCUNBPYAE-UHFFFAOYSA-N -1 3 328.376 2.524 20 30 EFEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)OCCC1(C#N)CCCCC1 ZINC001605453928 1097127960 /nfs/dbraw/zinc/12/79/60/1097127960.db2.gz GHNCCDCUNBPYAE-UHFFFAOYSA-N -1 3 328.376 2.524 20 30 EFEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)OCCCCC1(C#N)CCC1 ZINC001605454008 1097130090 /nfs/dbraw/zinc/13/00/90/1097130090.db2.gz HQGGTXRXEZMWOD-UHFFFAOYSA-N -1 3 328.376 2.524 20 30 EFEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)OCCCCC1(C#N)CCC1 ZINC001605454008 1097130096 /nfs/dbraw/zinc/13/00/96/1097130096.db2.gz HQGGTXRXEZMWOD-UHFFFAOYSA-N -1 3 328.376 2.524 20 30 EFEDHM Cc1c(NC(=O)[C@@H](CC#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC001605494279 1097137287 /nfs/dbraw/zinc/13/72/87/1097137287.db2.gz MAXZGOFLLMUBNS-HNNXBMFYSA-N -1 3 332.367 2.811 20 30 EFEDHM Cc1c(NC(=O)[C@@H](CC#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC001605494279 1097137292 /nfs/dbraw/zinc/13/72/92/1097137292.db2.gz MAXZGOFLLMUBNS-HNNXBMFYSA-N -1 3 332.367 2.811 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001605589224 1097164969 /nfs/dbraw/zinc/16/49/69/1097164969.db2.gz UFQJWQMCGSGHEA-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001605589224 1097164971 /nfs/dbraw/zinc/16/49/71/1097164971.db2.gz UFQJWQMCGSGHEA-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc(C)c1C#N ZINC001605630409 1097172930 /nfs/dbraw/zinc/17/29/30/1097172930.db2.gz NOXAISBSNZMKJP-UHFFFAOYSA-N -1 3 337.314 2.714 20 30 EFEDHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc(C)c1C#N ZINC001605630409 1097172933 /nfs/dbraw/zinc/17/29/33/1097172933.db2.gz NOXAISBSNZMKJP-UHFFFAOYSA-N -1 3 337.314 2.714 20 30 EFEDHM Cc1cc(C)cc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001605647130 1097179730 /nfs/dbraw/zinc/17/97/30/1097179730.db2.gz JYJMVINXGZYWTA-MRXNPFEDSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1cc(C)cc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605647130 1097179734 /nfs/dbraw/zinc/17/97/34/1097179734.db2.gz JYJMVINXGZYWTA-MRXNPFEDSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1cc(COC(=O)C=Cc2ccccc2C#N)ccc1-c1nnn[n-]1 ZINC001605662792 1097183772 /nfs/dbraw/zinc/18/37/72/1097183772.db2.gz GLRXTZGJUYVNEU-VQHVLOKHSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(COC(=O)C=Cc2ccccc2C#N)ccc1-c1nn[n-]n1 ZINC001605662792 1097183775 /nfs/dbraw/zinc/18/37/75/1097183775.db2.gz GLRXTZGJUYVNEU-VQHVLOKHSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(OC(=O)c2cc(C#N)ccc2Cl)ccc1-c1nnn[n-]1 ZINC001605746045 1097214337 /nfs/dbraw/zinc/21/43/37/1097214337.db2.gz UTNKZIKQXRTNEK-UHFFFAOYSA-N -1 3 339.742 2.919 20 30 EFEDHM Cc1cc(OC(=O)c2cc(C#N)ccc2Cl)ccc1-c1nn[n-]n1 ZINC001605746045 1097214340 /nfs/dbraw/zinc/21/43/40/1097214340.db2.gz UTNKZIKQXRTNEK-UHFFFAOYSA-N -1 3 339.742 2.919 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001605794468 1097228500 /nfs/dbraw/zinc/22/85/00/1097228500.db2.gz DRHNFXCHMGADBG-OAHLLOKOSA-N -1 3 332.367 2.811 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001605794468 1097228502 /nfs/dbraw/zinc/22/85/02/1097228502.db2.gz DRHNFXCHMGADBG-OAHLLOKOSA-N -1 3 332.367 2.811 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001605805991 1097233052 /nfs/dbraw/zinc/23/30/52/1097233052.db2.gz QCTYLVZSCILEBX-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001605805991 1097233055 /nfs/dbraw/zinc/23/30/55/1097233055.db2.gz QCTYLVZSCILEBX-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC1CCC(C(F)(F)F)CC1 ZINC001606023686 1097301596 /nfs/dbraw/zinc/30/15/96/1097301596.db2.gz CIFWOQAFGYDSJN-UHFFFAOYSA-N -1 3 339.325 2.612 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC1CCC(C(F)(F)F)CC1 ZINC001606023686 1097301598 /nfs/dbraw/zinc/30/15/98/1097301598.db2.gz CIFWOQAFGYDSJN-UHFFFAOYSA-N -1 3 339.325 2.612 20 30 EFEDHM Cc1nc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)ccc1C#N ZINC001606067828 1097311174 /nfs/dbraw/zinc/31/11/74/1097311174.db2.gz YLYFPXOZUVCZID-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1nc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ccc1C#N ZINC001606067828 1097311180 /nfs/dbraw/zinc/31/11/80/1097311180.db2.gz YLYFPXOZUVCZID-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM FC(F)(F)c1cnc(C=NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001606293509 1097364190 /nfs/dbraw/zinc/36/41/90/1097364190.db2.gz UIXIXMNVQARQGJ-UHFFFAOYSA-N -1 3 339.306 2.788 20 30 EFEDHM Fc1ccc(CON=Cc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC001606319644 1097381075 /nfs/dbraw/zinc/38/10/75/1097381075.db2.gz XOEWEOFIBBTKPS-UHFFFAOYSA-N -1 3 333.273 2.835 20 30 EFEDHM Fc1ccc(CON=Cc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC001606319644 1097381080 /nfs/dbraw/zinc/38/10/80/1097381080.db2.gz XOEWEOFIBBTKPS-UHFFFAOYSA-N -1 3 333.273 2.835 20 30 EFEDHM N#C[C@]1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CC12CCCC2 ZINC001606340380 1097388157 /nfs/dbraw/zinc/38/81/57/1097388157.db2.gz MZHJMUXHYZMQBU-KRWDZBQOSA-N -1 3 341.346 2.523 20 30 EFEDHM N#C[C@]1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CC12CCCC2 ZINC001606340380 1097388159 /nfs/dbraw/zinc/38/81/59/1097388159.db2.gz MZHJMUXHYZMQBU-KRWDZBQOSA-N -1 3 341.346 2.523 20 30 EFEDHM N#CC1(N(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C2CC2)CCC1 ZINC001606344335 1097389241 /nfs/dbraw/zinc/38/92/41/1097389241.db2.gz ISMSIGIEJSVWCY-UHFFFAOYSA-N -1 3 342.790 2.571 20 30 EFEDHM N#CC1(N(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C2CC2)CCC1 ZINC001606344335 1097389247 /nfs/dbraw/zinc/38/92/47/1097389247.db2.gz ISMSIGIEJSVWCY-UHFFFAOYSA-N -1 3 342.790 2.571 20 30 EFEDHM N#C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC001606345906 1097389343 /nfs/dbraw/zinc/38/93/43/1097389343.db2.gz RSUUSZLMVUZLJW-JTQLQIEISA-N -1 3 339.790 2.808 20 30 EFEDHM N#C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC001606345906 1097389350 /nfs/dbraw/zinc/38/93/50/1097389350.db2.gz RSUUSZLMVUZLJW-JTQLQIEISA-N -1 3 339.790 2.808 20 30 EFEDHM N#Cc1cc(Cl)ccc1NC(=O)c1cscc1-c1nnn[n-]1 ZINC001606362062 1097392282 /nfs/dbraw/zinc/39/22/82/1097392282.db2.gz VYNJWYKJMDDUFW-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(Cl)ccc1NC(=O)c1cscc1-c1nn[n-]n1 ZINC001606362062 1097392285 /nfs/dbraw/zinc/39/22/85/1097392285.db2.gz VYNJWYKJMDDUFW-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1c(F)cccc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001606356146 1097392460 /nfs/dbraw/zinc/39/24/60/1097392460.db2.gz KXDXMMGYGWBDRB-MLPAPPSSSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1c(F)cccc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001606356146 1097392461 /nfs/dbraw/zinc/39/24/61/1097392461.db2.gz KXDXMMGYGWBDRB-MLPAPPSSSA-N -1 3 331.310 2.700 20 30 EFEDHM N#C[C@@H]1CCCC[C@H]1OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001606354856 1097392981 /nfs/dbraw/zinc/39/29/81/1097392981.db2.gz VFSVGRWGAHGZGO-CAOSSQGBSA-N -1 3 337.383 2.596 20 30 EFEDHM N#C[C@@H]1CCCC[C@H]1OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001606354856 1097392986 /nfs/dbraw/zinc/39/29/86/1097392986.db2.gz VFSVGRWGAHGZGO-CAOSSQGBSA-N -1 3 337.383 2.596 20 30 EFEDHM N#Cc1ccc(-c2nnc(C=Cc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC001606364152 1097394194 /nfs/dbraw/zinc/39/41/94/1097394194.db2.gz YEFWDEHEQUGUJS-KTKRTIGZSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccc(-c2nnc(C=Cc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC001606364152 1097394200 /nfs/dbraw/zinc/39/42/00/1097394200.db2.gz YEFWDEHEQUGUJS-KTKRTIGZSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)o1 ZINC001606367383 1097394397 /nfs/dbraw/zinc/39/43/97/1097394397.db2.gz IPNIEMYEDFDZOU-UHFFFAOYSA-N -1 3 330.307 2.737 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)o1 ZINC001606367383 1097394402 /nfs/dbraw/zinc/39/44/02/1097394402.db2.gz IPNIEMYEDFDZOU-UHFFFAOYSA-N -1 3 330.307 2.737 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2ccc(Cl)cc2C1 ZINC001606379714 1097394931 /nfs/dbraw/zinc/39/49/31/1097394931.db2.gz JVFYUFUOPJYMNE-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2ccc(Cl)cc2C1 ZINC001606379714 1097394936 /nfs/dbraw/zinc/39/49/36/1097394936.db2.gz JVFYUFUOPJYMNE-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cccc3ccncc32)cc1-c1nnn[n-]1 ZINC001606377549 1097395013 /nfs/dbraw/zinc/39/50/13/1097395013.db2.gz LFOJHXVYJCLSCJ-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cccc3ccncc32)cc1-c1nn[n-]n1 ZINC001606377549 1097395021 /nfs/dbraw/zinc/39/50/21/1097395021.db2.gz LFOJHXVYJCLSCJ-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(SCC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001606379271 1097395202 /nfs/dbraw/zinc/39/52/02/1097395202.db2.gz LXINGNQFUCNTGW-UHFFFAOYSA-N -1 3 335.392 2.642 20 30 EFEDHM N#Cc1ccc(SCC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001606379271 1097395208 /nfs/dbraw/zinc/39/52/08/1097395208.db2.gz LXINGNQFUCNTGW-UHFFFAOYSA-N -1 3 335.392 2.642 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1c(F)cccc1F ZINC001606379707 1097395794 /nfs/dbraw/zinc/39/57/94/1097395794.db2.gz JNKURVVQPRORBF-UHFFFAOYSA-N -1 3 326.310 2.671 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1c(F)cccc1F ZINC001606379707 1097395796 /nfs/dbraw/zinc/39/57/96/1097395796.db2.gz JNKURVVQPRORBF-UHFFFAOYSA-N -1 3 326.310 2.671 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC1CCC(OC(F)F)CC1 ZINC001606380463 1097396353 /nfs/dbraw/zinc/39/63/53/1097396353.db2.gz ZYNURRSHYLJOCO-UHFFFAOYSA-N -1 3 334.330 2.701 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC1CCC(OC(F)F)CC1 ZINC001606380463 1097396362 /nfs/dbraw/zinc/39/63/62/1097396362.db2.gz ZYNURRSHYLJOCO-UHFFFAOYSA-N -1 3 334.330 2.701 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001606381484 1097396896 /nfs/dbraw/zinc/39/68/96/1097396896.db2.gz OLOOHRIGYYQFJI-AWEZNQCLSA-N -1 3 348.385 2.946 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001606381484 1097396901 /nfs/dbraw/zinc/39/69/01/1097396901.db2.gz OLOOHRIGYYQFJI-AWEZNQCLSA-N -1 3 348.385 2.946 20 30 EFEDHM N#Cc1ccsc1C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001606389786 1097399031 /nfs/dbraw/zinc/39/90/31/1097399031.db2.gz XKJPQBOCFAGAGS-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccsc1C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001606389786 1097399038 /nfs/dbraw/zinc/39/90/38/1097399038.db2.gz XKJPQBOCFAGAGS-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cnn(C2CCC2)c1 ZINC001606482541 1097405626 /nfs/dbraw/zinc/40/56/26/1097405626.db2.gz PFKVYMZQNKWKKU-SNAWJCMRSA-N -1 3 326.385 2.746 20 30 EFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cnn(C2CCC2)c1 ZINC001606482541 1097405629 /nfs/dbraw/zinc/40/56/29/1097405629.db2.gz PFKVYMZQNKWKKU-SNAWJCMRSA-N -1 3 326.385 2.746 20 30 EFEDHM O=C(C=Cc1cnn(CC2CCC2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606487342 1097407212 /nfs/dbraw/zinc/40/72/12/1097407212.db2.gz MRIORMGVCMLSKY-WTKPLQERSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1cnn(CC2CCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606487342 1097407217 /nfs/dbraw/zinc/40/72/17/1097407217.db2.gz MRIORMGVCMLSKY-WTKPLQERSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1nccn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001606488195 1097408570 /nfs/dbraw/zinc/40/85/70/1097408570.db2.gz DLPROIKEJFOKEV-ZHACJKMWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1nccn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001606488195 1097408573 /nfs/dbraw/zinc/40/85/73/1097408573.db2.gz DLPROIKEJFOKEV-ZHACJKMWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(OCC#Cc1ccccc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606963810 1097482489 /nfs/dbraw/zinc/48/24/89/1097482489.db2.gz ILQOXGKCTKODGJ-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM O=C(OCC#Cc1ccccc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606963810 1097482493 /nfs/dbraw/zinc/48/24/93/1097482493.db2.gz ILQOXGKCTKODGJ-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM O=C1c2ccc(Cl)nc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001607036320 1097501400 /nfs/dbraw/zinc/50/14/00/1097501400.db2.gz GTDBFIHNANYFJS-WEVVVXLNSA-N -1 3 341.733 2.877 20 30 EFEDHM O=C1c2ccc(Cl)nc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001607036320 1097501406 /nfs/dbraw/zinc/50/14/06/1097501406.db2.gz GTDBFIHNANYFJS-WEVVVXLNSA-N -1 3 341.733 2.877 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1nc(Cl)cs1 ZINC001607037428 1097501565 /nfs/dbraw/zinc/50/15/65/1097501565.db2.gz LQDYVQGPROCSAF-WEVVVXLNSA-N -1 3 329.772 2.799 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1nc(Cl)cs1 ZINC001607037428 1097501570 /nfs/dbraw/zinc/50/15/70/1097501570.db2.gz LQDYVQGPROCSAF-WEVVVXLNSA-N -1 3 329.772 2.799 20 30 EFEDHM O=C1c2ccc(Cl)nc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001607036310 1097502005 /nfs/dbraw/zinc/50/20/05/1097502005.db2.gz GTDBFIHNANYFJS-UITAMQMPSA-N -1 3 341.733 2.877 20 30 EFEDHM O=C1c2ccc(Cl)nc2CC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001607036310 1097502007 /nfs/dbraw/zinc/50/20/07/1097502007.db2.gz GTDBFIHNANYFJS-UITAMQMPSA-N -1 3 341.733 2.877 20 30 EFEDHM O=[N+]([O-])c1cc(C=NNc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC001607078635 1097506680 /nfs/dbraw/zinc/50/66/80/1097506680.db2.gz JXVVFDMVPOQZHI-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM O=[N+]([O-])c1cc(C=NNc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC001607078635 1097506686 /nfs/dbraw/zinc/50/66/86/1097506686.db2.gz JXVVFDMVPOQZHI-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC001608199511 1097859393 /nfs/dbraw/zinc/85/93/93/1097859393.db2.gz KZZJHECHGVIAPC-GBESFXJTSA-N -1 3 333.391 2.647 20 30 EFEDHM N#Cc1ccc(CN2CCCN(Cc3occc3C(=O)[O-])CC2)cc1 ZINC001608204772 1097862120 /nfs/dbraw/zinc/86/21/20/1097862120.db2.gz LNOAGIISQNQFLI-UHFFFAOYSA-N -1 3 339.395 2.557 20 30 EFEDHM O=C([O-])[C@@]1(NCC#Cc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC001608575192 1097959430 /nfs/dbraw/zinc/95/94/30/1097959430.db2.gz GPJBUXHMNRDQLW-JOCHJYFZSA-N -1 3 348.446 2.747 20 30 EFEDHM O=C([O-])[C@@H]1[C@H](CNCC#Cc2ccc(C(F)(F)F)cc2)C1(F)F ZINC001608595977 1097963835 /nfs/dbraw/zinc/96/38/35/1097963835.db2.gz GTMWYCZCGWHREV-RYUDHWBXSA-N -1 3 333.256 2.612 20 30 EFEDHM C#CCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC001609020028 1098112760 /nfs/dbraw/zinc/11/27/60/1098112760.db2.gz OYDOENCCXZQKRK-UHFFFAOYSA-N -1 3 338.396 2.732 20 30 EFEDHM C#CCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC001609020028 1098112764 /nfs/dbraw/zinc/11/27/64/1098112764.db2.gz OYDOENCCXZQKRK-UHFFFAOYSA-N -1 3 338.396 2.732 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001609021152 1098112781 /nfs/dbraw/zinc/11/27/81/1098112781.db2.gz HAVSAYVWZSFFLC-UHFFFAOYSA-N -1 3 332.367 2.534 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001609021152 1098112784 /nfs/dbraw/zinc/11/27/84/1098112784.db2.gz HAVSAYVWZSFFLC-UHFFFAOYSA-N -1 3 332.367 2.534 20 30 EFEDHM C=C(C)CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001609051174 1098121694 /nfs/dbraw/zinc/12/16/94/1098121694.db2.gz QEHMAEBFQYUSEP-UHFFFAOYSA-N -1 3 338.318 2.556 20 30 EFEDHM C=C(C)CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001609051174 1098121698 /nfs/dbraw/zinc/12/16/98/1098121698.db2.gz QEHMAEBFQYUSEP-UHFFFAOYSA-N -1 3 338.318 2.556 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001609050816 1098121788 /nfs/dbraw/zinc/12/17/88/1098121788.db2.gz CVIWJKLMDVPLED-SJCJKPOMSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001609050816 1098121791 /nfs/dbraw/zinc/12/17/91/1098121791.db2.gz CVIWJKLMDVPLED-SJCJKPOMSA-N -1 3 336.399 2.808 20 30 EFEDHM C=CCCCCCOC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609053993 1098122559 /nfs/dbraw/zinc/12/25/59/1098122559.db2.gz VJIYGPISDHPOCL-CYBMUJFWSA-N -1 3 330.388 2.924 20 30 EFEDHM C=C(CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001609052272 1098122617 /nfs/dbraw/zinc/12/26/17/1098122617.db2.gz VLSMORLTNMOWPJ-UHFFFAOYSA-N -1 3 333.395 2.629 20 30 EFEDHM C=C(CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001609052272 1098122622 /nfs/dbraw/zinc/12/26/22/1098122622.db2.gz VLSMORLTNMOWPJ-UHFFFAOYSA-N -1 3 333.395 2.629 20 30 EFEDHM C=CCCCCCCNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001609053754 1098122695 /nfs/dbraw/zinc/12/26/95/1098122695.db2.gz PSKPUTADOGMBNO-UHFFFAOYSA-N -1 3 328.420 2.802 20 30 EFEDHM C=CCCCCCCNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609053754 1098122701 /nfs/dbraw/zinc/12/27/01/1098122701.db2.gz PSKPUTADOGMBNO-UHFFFAOYSA-N -1 3 328.420 2.802 20 30 EFEDHM C=C1CCN(Cc2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC001609052275 1098122726 /nfs/dbraw/zinc/12/27/26/1098122726.db2.gz VQPGMVHGFBVKTK-UHFFFAOYSA-N -1 3 334.221 2.781 20 30 EFEDHM C=C1CCN(Cc2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC001609052275 1098122730 /nfs/dbraw/zinc/12/27/30/1098122730.db2.gz VQPGMVHGFBVKTK-UHFFFAOYSA-N -1 3 334.221 2.781 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609053336 1098122921 /nfs/dbraw/zinc/12/29/21/1098122921.db2.gz IWBVEKQKEMPNOQ-SWLSCSKDSA-N -1 3 328.420 2.924 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609053336 1098122925 /nfs/dbraw/zinc/12/29/25/1098122925.db2.gz IWBVEKQKEMPNOQ-SWLSCSKDSA-N -1 3 328.420 2.924 20 30 EFEDHM C=CCCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001609053381 1098123170 /nfs/dbraw/zinc/12/31/70/1098123170.db2.gz HOYAPKWYZZYUGF-UHFFFAOYSA-N -1 3 328.420 2.908 20 30 EFEDHM C=CCCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001609053381 1098123174 /nfs/dbraw/zinc/12/31/74/1098123174.db2.gz HOYAPKWYZZYUGF-UHFFFAOYSA-N -1 3 328.420 2.908 20 30 EFEDHM C=CCCCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001609055160 1098123368 /nfs/dbraw/zinc/12/33/68/1098123368.db2.gz SPEHCJGIMFHMLS-UHFFFAOYSA-N -1 3 326.187 2.870 20 30 EFEDHM C=CCCCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001609055160 1098123371 /nfs/dbraw/zinc/12/33/71/1098123371.db2.gz SPEHCJGIMFHMLS-UHFFFAOYSA-N -1 3 326.187 2.870 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609052898 1098123482 /nfs/dbraw/zinc/12/34/82/1098123482.db2.gz UVIWDYLATCQMLB-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609052898 1098123486 /nfs/dbraw/zinc/12/34/86/1098123486.db2.gz UVIWDYLATCQMLB-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CCC(C)(C)c1noc(COc2cccc(-c3nnn[n-]3)c2)n1 ZINC001609052964 1098123610 /nfs/dbraw/zinc/12/36/10/1098123610.db2.gz WVMQCPCCSYYMBT-UHFFFAOYSA-N -1 3 326.360 2.682 20 30 EFEDHM C=CCC(C)(C)c1noc(COc2cccc(-c3nn[n-]n3)c2)n1 ZINC001609052964 1098123614 /nfs/dbraw/zinc/12/36/14/1098123614.db2.gz WVMQCPCCSYYMBT-UHFFFAOYSA-N -1 3 326.360 2.682 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)C ZINC001609056559 1098124482 /nfs/dbraw/zinc/12/44/82/1098124482.db2.gz PXRUCESUZPJQTC-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)C ZINC001609056559 1098124487 /nfs/dbraw/zinc/12/44/87/1098124487.db2.gz PXRUCESUZPJQTC-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CCc1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609059313 1098125473 /nfs/dbraw/zinc/12/54/73/1098125473.db2.gz GHJBNHHYUSZDJK-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM C=CCc1ccccc1OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609059313 1098125477 /nfs/dbraw/zinc/12/54/77/1098125477.db2.gz GHJBNHHYUSZDJK-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM CC#CCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609060063 1098125499 /nfs/dbraw/zinc/12/54/99/1098125499.db2.gz WLPQDTHENNEAPF-UHFFFAOYSA-N -1 3 346.394 2.754 20 30 EFEDHM CC(=NNCc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609061223 1098126383 /nfs/dbraw/zinc/12/63/83/1098126383.db2.gz NFJUIEMRCPUGGW-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609061223 1098126385 /nfs/dbraw/zinc/12/63/85/1098126385.db2.gz NFJUIEMRCPUGGW-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609059601 1098126478 /nfs/dbraw/zinc/12/64/78/1098126478.db2.gz ABOABEKCQIQKNI-NEPJUHHUSA-N -1 3 325.294 2.641 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609059601 1098126482 /nfs/dbraw/zinc/12/64/82/1098126482.db2.gz ABOABEKCQIQKNI-NEPJUHHUSA-N -1 3 325.294 2.641 20 30 EFEDHM CC(C)(C#N)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001609072631 1098130380 /nfs/dbraw/zinc/13/03/80/1098130380.db2.gz YLFDKMJCWZYVGS-UHFFFAOYSA-N -1 3 330.417 2.685 20 30 EFEDHM CC(C)(C#N)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001609072631 1098130383 /nfs/dbraw/zinc/13/03/83/1098130383.db2.gz YLFDKMJCWZYVGS-UHFFFAOYSA-N -1 3 330.417 2.685 20 30 EFEDHM CC(C)(C#N)CC(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001609072063 1098130818 /nfs/dbraw/zinc/13/08/18/1098130818.db2.gz AXDNXMTUQWBRBO-UHFFFAOYSA-N -1 3 349.192 2.508 20 30 EFEDHM CC(C)(C#N)CC(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001609072063 1098130821 /nfs/dbraw/zinc/13/08/21/1098130821.db2.gz AXDNXMTUQWBRBO-UHFFFAOYSA-N -1 3 349.192 2.508 20 30 EFEDHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609074798 1098132502 /nfs/dbraw/zinc/13/25/02/1098132502.db2.gz ALASOBAPMNKGBN-CZUORRHYSA-N -1 3 340.431 2.992 20 30 EFEDHM CC(C)(C)[C@@H]1OCCC[C@@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609074798 1098132508 /nfs/dbraw/zinc/13/25/08/1098132508.db2.gz ALASOBAPMNKGBN-CZUORRHYSA-N -1 3 340.431 2.992 20 30 EFEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609092656 1098140395 /nfs/dbraw/zinc/14/03/95/1098140395.db2.gz VVNAHDDLFFVRNS-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609092656 1098140398 /nfs/dbraw/zinc/14/03/98/1098140398.db2.gz VVNAHDDLFFVRNS-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)CN(C(=O)c1ccc(C#N)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609095190 1098142654 /nfs/dbraw/zinc/14/26/54/1098142654.db2.gz ZXNJOWNIAWKHHX-UHFFFAOYSA-N -1 3 336.355 2.634 20 30 EFEDHM CC(C)CN(C(=O)c1ccc(C#N)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609095190 1098142658 /nfs/dbraw/zinc/14/26/58/1098142658.db2.gz ZXNJOWNIAWKHHX-UHFFFAOYSA-N -1 3 336.355 2.634 20 30 EFEDHM CC(C)Oc1ccc(NC(=O)CC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC001609103044 1098146364 /nfs/dbraw/zinc/14/63/64/1098146364.db2.gz LVLAHTOSVAPXOY-UHFFFAOYSA-N -1 3 328.376 2.532 20 30 EFEDHM CC(C)Oc1ccc(NC(=O)CC(C)(C)C#N)cc1-c1nn[n-]n1 ZINC001609103044 1098146366 /nfs/dbraw/zinc/14/63/66/1098146366.db2.gz LVLAHTOSVAPXOY-UHFFFAOYSA-N -1 3 328.376 2.532 20 30 EFEDHM C[C@@H](NC(=O)NCC(C)(C)CCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001609120501 1098154565 /nfs/dbraw/zinc/15/45/65/1098154565.db2.gz JRMABDXUMGIFDL-GFCCVEGCSA-N -1 3 341.419 2.557 20 30 EFEDHM C[C@@H](NC(=O)NCC(C)(C)CCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001609120501 1098154567 /nfs/dbraw/zinc/15/45/67/1098154567.db2.gz JRMABDXUMGIFDL-GFCCVEGCSA-N -1 3 341.419 2.557 20 30 EFEDHM C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609121253 1098155266 /nfs/dbraw/zinc/15/52/66/1098155266.db2.gz MJNBECGBTAHDDK-GFCCVEGCSA-N -1 3 347.382 2.815 20 30 EFEDHM C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609121253 1098155271 /nfs/dbraw/zinc/15/52/71/1098155271.db2.gz MJNBECGBTAHDDK-GFCCVEGCSA-N -1 3 347.382 2.815 20 30 EFEDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609126637 1098157583 /nfs/dbraw/zinc/15/75/83/1098157583.db2.gz CMAOLMOZAFYJHT-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609126637 1098157589 /nfs/dbraw/zinc/15/75/89/1098157589.db2.gz CMAOLMOZAFYJHT-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](ON=CC(=O)Nc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609134169 1098161689 /nfs/dbraw/zinc/16/16/89/1098161689.db2.gz ZTTNYJPKBIHASF-LBPRGKRZSA-N -1 3 336.355 2.569 20 30 EFEDHM C[C@H](ON=CC(=O)Nc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609134169 1098161691 /nfs/dbraw/zinc/16/16/91/1098161691.db2.gz ZTTNYJPKBIHASF-LBPRGKRZSA-N -1 3 336.355 2.569 20 30 EFEDHM CC1(C)CC(=O)C(=CNc2cc(Cl)ccc2-c2nnn[n-]2)C(=O)C1 ZINC001609144452 1098166151 /nfs/dbraw/zinc/16/61/51/1098166151.db2.gz XQVDWLLTSSLFLC-UHFFFAOYSA-N -1 3 345.790 2.774 20 30 EFEDHM CC1(C)CC(=O)C(=CNc2cc(Cl)ccc2-c2nn[n-]n2)C(=O)C1 ZINC001609144452 1098166152 /nfs/dbraw/zinc/16/61/52/1098166152.db2.gz XQVDWLLTSSLFLC-UHFFFAOYSA-N -1 3 345.790 2.774 20 30 EFEDHM C#CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC001609167656 1098181760 /nfs/dbraw/zinc/18/17/60/1098181760.db2.gz PROKVHABPFHLTL-SFHVURJKSA-N -1 3 325.364 2.623 20 30 EFEDHM CCC(=NNCc1ccccc1N(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609180620 1098183935 /nfs/dbraw/zinc/18/39/35/1098183935.db2.gz ISSRTGZQOCZXBQ-UHFFFAOYSA-N -1 3 349.442 2.837 20 30 EFEDHM CCC(=NNCc1ccccc1N(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609180620 1098183941 /nfs/dbraw/zinc/18/39/41/1098183941.db2.gz ISSRTGZQOCZXBQ-UHFFFAOYSA-N -1 3 349.442 2.837 20 30 EFEDHM CCC(C)(C)N(CCC#N)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609182521 1098185849 /nfs/dbraw/zinc/18/58/49/1098185849.db2.gz JGUYZOCADWINIJ-ZHACJKMWSA-N -1 3 338.415 2.811 20 30 EFEDHM CCC(C)(C)N(CCC#N)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609182521 1098185854 /nfs/dbraw/zinc/18/58/54/1098185854.db2.gz JGUYZOCADWINIJ-ZHACJKMWSA-N -1 3 338.415 2.811 20 30 EFEDHM CCOc1cccc(CCNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001609246220 1098219507 /nfs/dbraw/zinc/21/95/07/1098219507.db2.gz NFMMVNJUZFDHEC-UHFFFAOYSA-N -1 3 334.383 2.792 20 30 EFEDHM CCOc1cccc(CCNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001609246220 1098219511 /nfs/dbraw/zinc/21/95/11/1098219511.db2.gz NFMMVNJUZFDHEC-UHFFFAOYSA-N -1 3 334.383 2.792 20 30 EFEDHM CCn1nccc1C=C1CCCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC001609259990 1098229843 /nfs/dbraw/zinc/22/98/43/1098229843.db2.gz BWWHGUWPELTJGR-ACCUITESSA-N -1 3 334.383 2.686 20 30 EFEDHM CCn1nccc1C=C1CCCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC001609259990 1098229849 /nfs/dbraw/zinc/22/98/49/1098229849.db2.gz BWWHGUWPELTJGR-ACCUITESSA-N -1 3 334.383 2.686 20 30 EFEDHM CN(C)c1ccc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001609270494 1098232458 /nfs/dbraw/zinc/23/24/58/1098232458.db2.gz BGJAYDJEQHAQEW-FLIBITNWSA-N -1 3 337.358 2.968 20 30 EFEDHM CN(C)c1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001609270494 1098232460 /nfs/dbraw/zinc/23/24/60/1098232460.db2.gz BGJAYDJEQHAQEW-FLIBITNWSA-N -1 3 337.358 2.968 20 30 EFEDHM COC(=O)c1ccc(Sc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001609304063 1098240756 /nfs/dbraw/zinc/24/07/56/1098240756.db2.gz CBRCPDBBCRCGEO-UHFFFAOYSA-N -1 3 337.364 2.676 20 30 EFEDHM COC(=O)c1ccc(Sc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001609304063 1098240760 /nfs/dbraw/zinc/24/07/60/1098240760.db2.gz CBRCPDBBCRCGEO-UHFFFAOYSA-N -1 3 337.364 2.676 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(C#N)cc1Cl ZINC001609338396 1098253986 /nfs/dbraw/zinc/25/39/86/1098253986.db2.gz ZWSKRPCCGCOAEN-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)cc1Cl ZINC001609338396 1098253992 /nfs/dbraw/zinc/25/39/92/1098253992.db2.gz ZWSKRPCCGCOAEN-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)c(OC)c1)C2=O ZINC001609340215 1098254716 /nfs/dbraw/zinc/25/47/16/1098254716.db2.gz AJRFVLPROUEGOG-XYOKQWHBSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)c(OC)c1)C2=O ZINC001609340215 1098254721 /nfs/dbraw/zinc/25/47/21/1098254721.db2.gz AJRFVLPROUEGOG-XYOKQWHBSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc(F)cc(NN=C2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC001609346471 1098258570 /nfs/dbraw/zinc/25/85/70/1098258570.db2.gz XYGGDXMIBWRLNS-UHFFFAOYSA-N -1 3 338.346 2.777 20 30 EFEDHM COc1cc(F)cc(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC001609346471 1098258576 /nfs/dbraw/zinc/25/85/76/1098258576.db2.gz XYGGDXMIBWRLNS-UHFFFAOYSA-N -1 3 338.346 2.777 20 30 EFEDHM COc1ccccc1CON=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001609364204 1098267249 /nfs/dbraw/zinc/26/72/49/1098267249.db2.gz YDAHGAHAOQBNEV-UHFFFAOYSA-N -1 3 348.366 2.907 20 30 EFEDHM COc1ccccc1CON=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001609364204 1098267251 /nfs/dbraw/zinc/26/72/51/1098267251.db2.gz YDAHGAHAOQBNEV-UHFFFAOYSA-N -1 3 348.366 2.907 20 30 EFEDHM COc1ccccc1[C@@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001609363816 1098267402 /nfs/dbraw/zinc/26/74/02/1098267402.db2.gz XXBCMYQLMXICNB-CQSZACIVSA-N -1 3 346.394 2.741 20 30 EFEDHM COc1ccccc1[C@@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001609363816 1098267407 /nfs/dbraw/zinc/26/74/07/1098267407.db2.gz XXBCMYQLMXICNB-CQSZACIVSA-N -1 3 346.394 2.741 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC001609362643 1098268524 /nfs/dbraw/zinc/26/85/24/1098268524.db2.gz BZNRTWFJFPOTHD-LCYFTJDESA-N -1 3 334.335 2.534 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC001609362643 1098268529 /nfs/dbraw/zinc/26/85/29/1098268529.db2.gz BZNRTWFJFPOTHD-LCYFTJDESA-N -1 3 334.335 2.534 20 30 EFEDHM CSCc1cnc(C=NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001609372131 1098270654 /nfs/dbraw/zinc/27/06/54/1098270654.db2.gz RDVALFDGPZKTQZ-UHFFFAOYSA-N -1 3 331.430 2.632 20 30 EFEDHM Cc1c(C(=O)N[C@](C)(C#N)C2CCCCC2)cccc1-c1nnn[n-]1 ZINC001609381787 1098277022 /nfs/dbraw/zinc/27/70/22/1098277022.db2.gz WZKAKIIRFXKPHC-GOSISDBHSA-N -1 3 338.415 2.768 20 30 EFEDHM Cc1c(C(=O)N[C@](C)(C#N)C2CCCCC2)cccc1-c1nn[n-]n1 ZINC001609381787 1098277026 /nfs/dbraw/zinc/27/70/26/1098277026.db2.gz WZKAKIIRFXKPHC-GOSISDBHSA-N -1 3 338.415 2.768 20 30 EFEDHM Cc1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)oc1C ZINC001609393306 1098283737 /nfs/dbraw/zinc/28/37/37/1098283737.db2.gz MMXMTJCEOYFKPV-SNAWJCMRSA-N -1 3 334.339 2.620 20 30 EFEDHM Cc1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)oc1C ZINC001609393306 1098283743 /nfs/dbraw/zinc/28/37/43/1098283743.db2.gz MMXMTJCEOYFKPV-SNAWJCMRSA-N -1 3 334.339 2.620 20 30 EFEDHM Cc1cc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)ccc1C#N ZINC001609402692 1098292691 /nfs/dbraw/zinc/29/26/91/1098292691.db2.gz CSCZOMSIRYYZKZ-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)ccc1C#N ZINC001609402692 1098292694 /nfs/dbraw/zinc/29/26/94/1098292694.db2.gz CSCZOMSIRYYZKZ-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)c(Nc2cccc(OCCCC#N)c2)n1 ZINC001609415011 1098299811 /nfs/dbraw/zinc/29/98/11/1098299811.db2.gz WUPHJKXTFVQQOB-UHFFFAOYSA-N -1 3 335.371 2.996 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)c(Nc2cccc(OCCCC#N)c2)n1 ZINC001609415011 1098299817 /nfs/dbraw/zinc/29/98/17/1098299817.db2.gz WUPHJKXTFVQQOB-UHFFFAOYSA-N -1 3 335.371 2.996 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609417531 1098303322 /nfs/dbraw/zinc/30/33/22/1098303322.db2.gz XXGUBOFBFPJUHQ-CMDGGOBGSA-N -1 3 330.351 2.699 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609417531 1098303324 /nfs/dbraw/zinc/30/33/24/1098303324.db2.gz XXGUBOFBFPJUHQ-CMDGGOBGSA-N -1 3 330.351 2.699 20 30 EFEDHM Cc1cccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC001609433330 1098318255 /nfs/dbraw/zinc/31/82/55/1098318255.db2.gz XJRKDCNRZGMCAB-INIZCTEOSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1cccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001609433330 1098318263 /nfs/dbraw/zinc/31/82/63/1098318263.db2.gz XJRKDCNRZGMCAB-INIZCTEOSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1nc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001609451956 1098330209 /nfs/dbraw/zinc/33/02/09/1098330209.db2.gz VVGCNGFSSJIPNH-IRXDYDNUSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1nc(N2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001609451956 1098330216 /nfs/dbraw/zinc/33/02/16/1098330216.db2.gz VVGCNGFSSJIPNH-IRXDYDNUSA-N -1 3 345.410 2.846 20 30 EFEDHM N#C[C@]1(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC12CCCC2 ZINC001609493345 1098360720 /nfs/dbraw/zinc/36/07/20/1098360720.db2.gz GRVGBBWNUPHRPB-INIZCTEOSA-N -1 3 342.790 2.933 20 30 EFEDHM N#C[C@]1(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC12CCCC2 ZINC001609493345 1098360727 /nfs/dbraw/zinc/36/07/27/1098360727.db2.gz GRVGBBWNUPHRPB-INIZCTEOSA-N -1 3 342.790 2.933 20 30 EFEDHM N#C[C@H]1CCC[C@@H](OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001609494859 1098361206 /nfs/dbraw/zinc/36/12/06/1098361206.db2.gz NVJUCHFDSVRRGI-SWLSCSKDSA-N -1 3 337.383 2.524 20 30 EFEDHM N#C[C@H]1CCC[C@@H](OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001609494859 1098361214 /nfs/dbraw/zinc/36/12/14/1098361214.db2.gz NVJUCHFDSVRRGI-SWLSCSKDSA-N -1 3 337.383 2.524 20 30 EFEDHM N#Cc1ccc(OCCOc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001609499345 1098361891 /nfs/dbraw/zinc/36/18/91/1098361891.db2.gz KURHLEINZORBHU-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccc(OCCOc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001609499345 1098361898 /nfs/dbraw/zinc/36/18/98/1098361898.db2.gz KURHLEINZORBHU-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC001269682825 1098362519 /nfs/dbraw/zinc/36/25/19/1098362519.db2.gz RGHZLPDFEOYOPA-HXUWFJFHSA-N -1 3 342.439 2.813 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2ccc(F)c(F)c2C1 ZINC001609499637 1098363303 /nfs/dbraw/zinc/36/33/03/1098363303.db2.gz BYUKPEUIOGXUGY-UHFFFAOYSA-N -1 3 338.321 2.579 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2ccc(F)c(F)c2C1 ZINC001609499637 1098363310 /nfs/dbraw/zinc/36/33/10/1098363310.db2.gz BYUKPEUIOGXUGY-UHFFFAOYSA-N -1 3 338.321 2.579 20 30 EFEDHM N#Cc1ccccc1COC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001609500443 1098364385 /nfs/dbraw/zinc/36/43/85/1098364385.db2.gz ZXCCPZBNECATRZ-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM N#Cc1ccccc1COC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001609500443 1098364390 /nfs/dbraw/zinc/36/43/90/1098364390.db2.gz ZXCCPZBNECATRZ-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccnn1-c1ccccc1 ZINC001609519859 1098367058 /nfs/dbraw/zinc/36/70/58/1098367058.db2.gz QXEJRLYVENOCCJ-KHPPLWFESA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccnn1-c1ccccc1 ZINC001609519859 1098367064 /nfs/dbraw/zinc/36/70/64/1098367064.db2.gz QXEJRLYVENOCCJ-KHPPLWFESA-N -1 3 342.362 2.949 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001609585950 1098392279 /nfs/dbraw/zinc/39/22/79/1098392279.db2.gz LSRURCJNXHXVTI-UXBLZVDNSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001609585950 1098392285 /nfs/dbraw/zinc/39/22/85/1098392285.db2.gz LSRURCJNXHXVTI-UXBLZVDNSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)Oc2cc(F)cc(F)c21 ZINC001609585924 1098392443 /nfs/dbraw/zinc/39/24/43/1098392443.db2.gz KPLZXFTUVYQBCZ-PQMHYQBVSA-N -1 3 344.252 2.900 20 30 EFEDHM O=C1C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)Oc2cc(F)cc(F)c21 ZINC001609585924 1098392449 /nfs/dbraw/zinc/39/24/49/1098392449.db2.gz KPLZXFTUVYQBCZ-PQMHYQBVSA-N -1 3 344.252 2.900 20 30 EFEDHM O=C1C(=Cc2cccc(-c3nnn[n-]3)c2)Oc2cc(F)cc(F)c21 ZINC001609585968 1098393377 /nfs/dbraw/zinc/39/33/77/1098393377.db2.gz MKHHPNDMYQXFTN-WLRTZDKTSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1C(=Cc2cccc(-c3nn[n-]n3)c2)Oc2cc(F)cc(F)c21 ZINC001609585968 1098393379 /nfs/dbraw/zinc/39/33/79/1098393379.db2.gz MKHHPNDMYQXFTN-WLRTZDKTSA-N -1 3 326.262 2.761 20 30 EFEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC001609777695 1098454541 /nfs/dbraw/zinc/45/45/41/1098454541.db2.gz WZYQQPPOIUQTIU-ACJLOTCBSA-N -1 3 347.378 2.615 20 30 EFEDHM C=C(C)CN1CCC2(CCN(C(=O)c3ccc(C)cc3[O-])CC2)C1=O ZINC001269950845 1098541439 /nfs/dbraw/zinc/54/14/39/1098541439.db2.gz GVDFHKRCVDCYBF-UHFFFAOYSA-N -1 3 342.439 2.731 20 30 EFEDHM COC1(C(F)(F)F)CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001610232151 1098583567 /nfs/dbraw/zinc/58/35/67/1098583567.db2.gz QQXKBPRNZUVIOD-CYBMUJFWSA-N -1 3 342.317 2.727 20 30 EFEDHM Cc1cc([C@@H](NCc2cnc3ccc(C#N)cn23)C(=O)[O-])ccc1F ZINC001610451404 1098685018 /nfs/dbraw/zinc/68/50/18/1098685018.db2.gz SGZQZHADKHSSHL-QGZVFWFLSA-N -1 3 338.342 2.569 20 30 EFEDHM N#Cc1c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cccc1C(=O)[O-] ZINC001610623226 1098789821 /nfs/dbraw/zinc/78/98/21/1098789821.db2.gz KRCCRSZLQSVRON-UAGQMJEPSA-N -1 3 326.396 2.694 20 30 EFEDHM N#Cc1ccc(F)c(CN2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1 ZINC001610627368 1098793030 /nfs/dbraw/zinc/79/30/30/1098793030.db2.gz XJUITEZNMGMALZ-DLBZAZTESA-N -1 3 340.354 2.703 20 30 EFEDHM CC(C)C[C@@H](CNc1ccc(C#N)nc1)NC(=O)c1ccccc1[O-] ZINC001104897842 1098939402 /nfs/dbraw/zinc/93/94/02/1098939402.db2.gz NJYAMZJUJNIHAT-INIZCTEOSA-N -1 3 338.411 2.915 20 30 EFEDHM N#Cc1cccc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001624271958 1099677015 /nfs/dbraw/zinc/67/70/15/1099677015.db2.gz RFXBMNKOPLKBQB-UHFFFAOYSA-N -1 3 337.766 2.983 20 30 EFEDHM Cc1nc(N[C@@H](CNC(=O)c2ccccc2[O-])C(C)C)ccc1C#N ZINC001105133305 1099778076 /nfs/dbraw/zinc/77/80/76/1099778076.db2.gz AFXCZDIGXZPCOL-INIZCTEOSA-N -1 3 338.411 2.834 20 30 EFEDHM Cc1ccc(C#N)c(N[C@H](CNC(=O)c2ccccc2[O-])C(C)C)n1 ZINC001105133616 1099778763 /nfs/dbraw/zinc/77/87/63/1099778763.db2.gz HUQGWHVJHCKRRG-MRXNPFEDSA-N -1 3 338.411 2.834 20 30 EFEDHM Cc1nsc(N[C@@H](CNC(=O)c2ccccc2[O-])C(C)C)c1C#N ZINC001105133501 1099779061 /nfs/dbraw/zinc/77/90/61/1099779061.db2.gz FDMWBPADRHFYLO-AWEZNQCLSA-N -1 3 344.440 2.895 20 30 EFEDHM N#CC1(CCOC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCCCC1 ZINC000840226978 1100935120 /nfs/dbraw/zinc/93/51/20/1100935120.db2.gz WUDZHUBPOZPSPK-UHFFFAOYSA-N -1 3 326.352 2.591 20 30 EFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CC(c3cccnc3)C2)n1 ZINC001167066874 1101365070 /nfs/dbraw/zinc/36/50/70/1101365070.db2.gz HMNZQPKFBUOQKS-UBKPWBPPSA-N -1 3 335.820 2.659 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@@H]1CCCC1=O ZINC000748164460 1101392956 /nfs/dbraw/zinc/39/29/56/1101392956.db2.gz CABHGSUOIWXEDR-ZDUSSCGKSA-N -1 3 330.384 2.511 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC2(C#N)CCCCC2)cc1 ZINC000780487424 1101421068 /nfs/dbraw/zinc/42/10/68/1101421068.db2.gz SKVRAMLMPMMIRO-UHFFFAOYSA-N -1 3 336.413 2.689 20 30 EFEDHM COC(=O)[C@@](C)(Cc1ccc(O)cc1)Nc1cccc(/C=N/[O-])c1 ZINC001168085413 1102785251 /nfs/dbraw/zinc/78/52/51/1102785251.db2.gz RQLZQOLGHATXKH-LSCADSNKSA-N -1 3 328.368 2.787 20 30 EFEDHM COc1ccc(NC(=S)NN=Cc2cc(Cl)ccc2[O-])cn1 ZINC000729640715 1104648481 /nfs/dbraw/zinc/64/84/81/1104648481.db2.gz ITUHLELPYLEOTG-UHFFFAOYSA-N -1 3 336.804 2.770 20 30 EFEDHM C=C1CCC(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC000897650928 1106031896 /nfs/dbraw/zinc/03/18/96/1106031896.db2.gz QFXDUJJIBFEDMO-UHFFFAOYSA-N -1 3 332.366 2.650 20 30 EFEDHM N#Cc1ccc(NC[C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)cn1 ZINC001059994029 1106524091 /nfs/dbraw/zinc/52/40/91/1106524091.db2.gz CRMDEUKGNACGMN-AWEZNQCLSA-N -1 3 336.395 2.623 20 30 EFEDHM N#Cc1ccc(NC[C@H]2CCCN(C(=O)c3ccccc3[O-])C2)nc1 ZINC001059994214 1106529207 /nfs/dbraw/zinc/52/92/07/1106529207.db2.gz IAMNNUUPAPFPPD-OAHLLOKOSA-N -1 3 336.395 2.623 20 30 EFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc(CC)ccc1[O-] ZINC001272210286 1107317737 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C[C@@H](NC(=O)CCc1ccccc1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173274 1107688557 /nfs/dbraw/zinc/68/85/57/1107688557.db2.gz IAGXHAWKBZREHA-CQSZACIVSA-N -1 3 344.386 2.681 20 30 EFEDHM Cc1nn(CC(F)F)c(C)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904172770 1107688601 /nfs/dbraw/zinc/68/86/01/1107688601.db2.gz BWVXKDBJFSRGNY-UHFFFAOYSA-N -1 3 327.306 2.936 20 30 EFEDHM Cc1nn(CC(F)(F)F)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904174232 1107690469 /nfs/dbraw/zinc/69/04/69/1107690469.db2.gz XQBLIBQIHKFZBD-UHFFFAOYSA-N -1 3 331.269 2.925 20 30 EFEDHM O=C(CCOCC(F)(F)C(F)F)N([O-])Cc1ccc(F)cc1 ZINC000904174163 1107691293 /nfs/dbraw/zinc/69/12/93/1107691293.db2.gz VHTUXOSRDQAFNK-UHFFFAOYSA-N -1 3 327.249 2.851 20 30 EFEDHM O=C(c1ccnc(N2CCCCC2)n1)N([O-])Cc1ccc(F)cc1 ZINC000904175910 1107692564 /nfs/dbraw/zinc/69/25/64/1107692564.db2.gz YUTIPTYPCGLCTR-UHFFFAOYSA-N -1 3 330.363 2.638 20 30 EFEDHM O=C(C[C@H](n1cccn1)C(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000904177691 1107693443 /nfs/dbraw/zinc/69/34/43/1107693443.db2.gz LTKKRXVHYVYABC-LBPRGKRZSA-N -1 3 331.269 2.934 20 30 EFEDHM CCCCN([O-])C(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000904209048 1107699337 /nfs/dbraw/zinc/69/93/37/1107699337.db2.gz RFCRECHNSGCDDA-UHFFFAOYSA-N -1 3 343.445 2.657 20 30 EFEDHM CCCCN([O-])C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000904209019 1107699414 /nfs/dbraw/zinc/69/94/14/1107699414.db2.gz QBBSBPQLBDWGIO-UHFFFAOYSA-N -1 3 328.294 2.918 20 30 EFEDHM CCCCN([O-])C(=O)Cc1csc(NC(=O)c2ccoc2C)n1 ZINC000904209065 1107699889 /nfs/dbraw/zinc/69/98/89/1107699889.db2.gz RYCBVVLJXIABPL-UHFFFAOYSA-N -1 3 337.401 2.857 20 30 EFEDHM CCCCN([O-])C(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000904208731 1107699907 /nfs/dbraw/zinc/69/99/07/1107699907.db2.gz IYKRDKAHXBWZLY-UHFFFAOYSA-N -1 3 332.356 2.929 20 30 EFEDHM C=CCCCC(=O)N(C)[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001679863992 1107714027 /nfs/dbraw/zinc/71/40/27/1107714027.db2.gz XUINQRBWJXZKBX-MRXNPFEDSA-N -1 3 330.428 2.715 20 30 EFEDHM CCCCN([O-])C(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000904215813 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Cc1cc(N2CC[C@@H](/N=C/c3c([O-])ccc4ccccc43)C2=O)n(C)n1 ZINC000173989891 239214757 /nfs/dbraw/zinc/21/47/57/239214757.db2.gz JYTFYIIWKMYDIP-KKJJZKEWSA-N -1 3 348.406 2.812 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)CCCCC#N)c1nc(C2CCCCC2)no1 ZINC000174065916 239218066 /nfs/dbraw/zinc/21/80/66/239218066.db2.gz YLPATQMAGNYGGU-GFCCVEGCSA-N -1 3 340.449 2.792 20 30 EFEDHM CS(=O)(=O)[N-]c1cc(NC(=O)C2(C#N)CCCCC2)ccc1F ZINC000194370349 240153843 /nfs/dbraw/zinc/15/38/43/240153843.db2.gz PWWMVMMEOIHJOF-UHFFFAOYSA-N -1 3 339.392 2.610 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[C@H]1C ZINC000193944821 240132804 /nfs/dbraw/zinc/13/28/04/240132804.db2.gz GJGZKESPXWLZNW-DOMZBBRYSA-N -1 3 329.444 2.739 20 30 EFEDHM CC(=O)Nc1cccc([C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000298330818 241148854 /nfs/dbraw/zinc/14/88/54/241148854.db2.gz YVABLAVKTZLZKY-GXBAXFRPSA-N -1 3 327.384 2.726 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)CCc2ccc3c(c2)OCO3)c1[O-] ZINC000299359866 241175740 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C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)[N-]C2=O)C1 ZINC000329231783 241330330 /nfs/dbraw/zinc/33/03/30/241330330.db2.gz FMOXYPOMHUOYOV-IPJQOSJUSA-N -1 3 336.436 2.976 20 30 EFEDHM CCCSc1nc(=NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)s[n-]1 ZINC000329448303 241373874 /nfs/dbraw/zinc/37/38/74/241373874.db2.gz OHJCIMODUOXXCH-MNOVXSKESA-N -1 3 341.506 2.612 20 30 EFEDHM COCC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccco1 ZINC000356584707 242076259 /nfs/dbraw/zinc/07/62/59/242076259.db2.gz XAJKJLNUZVDLAV-AWEZNQCLSA-N -1 3 340.445 2.751 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)SCC(=O)N3)nc(C)n1 ZINC000355102465 242020378 /nfs/dbraw/zinc/02/03/78/242020378.db2.gz QXZHAGTYKVHFOO-GFCCVEGCSA-N -1 3 338.392 2.628 20 30 EFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000357561252 242101163 /nfs/dbraw/zinc/10/11/63/242101163.db2.gz VHYADURJQICHKN-HNNXBMFYSA-N -1 3 333.438 2.781 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000360103948 242186459 /nfs/dbraw/zinc/18/64/59/242186459.db2.gz YBUNSYLLZBXYEW-NSHDSACASA-N -1 3 339.392 2.741 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000361701505 242230529 /nfs/dbraw/zinc/23/05/29/242230529.db2.gz HYNMLQNUZMNJDO-UHFFFAOYSA-N -1 3 339.321 2.721 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000361701505 242230550 /nfs/dbraw/zinc/23/05/50/242230550.db2.gz HYNMLQNUZMNJDO-UHFFFAOYSA-N -1 3 339.321 2.721 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000361701505 242230555 /nfs/dbraw/zinc/23/05/55/242230555.db2.gz HYNMLQNUZMNJDO-UHFFFAOYSA-N -1 3 339.321 2.721 20 30 EFEDHM CCc1nc2ccc(Cl)cn2c1C([O-])=C(C#N)c1ccncn1 ZINC000362002166 242237856 /nfs/dbraw/zinc/23/78/56/242237856.db2.gz HAFLKMBKVSHUTD-LLVKDONJSA-N -1 3 325.759 2.830 20 30 EFEDHM C=C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000362586747 242260191 /nfs/dbraw/zinc/26/01/91/242260191.db2.gz IFHIKYKVWXHJEO-LBPRGKRZSA-N -1 3 348.399 2.931 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000365662329 242330218 /nfs/dbraw/zinc/33/02/18/242330218.db2.gz RVVOWMGPMYVMAQ-QAPCUYQASA-N -1 3 331.379 2.870 20 30 EFEDHM O=C(CN1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)Nc1nc2c(s1)CCC2 ZINC000330070089 304142792 /nfs/dbraw/zinc/14/27/92/304142792.db2.gz WTDOKBWXHTXCNL-DRZSPHRISA-N -1 3 349.456 2.938 20 30 EFEDHM C=CCCCS(=O)(=O)[N-]c1cc(OC)c(C(=O)OC)cc1Cl ZINC000414452366 244171159 /nfs/dbraw/zinc/17/11/59/244171159.db2.gz MRPSZNBLKIEBFP-UHFFFAOYSA-N -1 3 347.820 2.843 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422037593 246231988 /nfs/dbraw/zinc/23/19/88/246231988.db2.gz KRFSBJUNJSWPBJ-JSGCOSHPSA-N -1 3 337.391 2.582 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422037592 246233585 /nfs/dbraw/zinc/23/35/85/246233585.db2.gz KRFSBJUNJSWPBJ-GXTWGEPZSA-N -1 3 337.391 2.582 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000425662105 247160803 /nfs/dbraw/zinc/16/08/03/247160803.db2.gz HZOYIBDZZIMHSQ-SNVBAGLBSA-N -1 3 349.341 2.540 20 30 EFEDHM COC1CCC(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000265163416 247261887 /nfs/dbraw/zinc/26/18/87/247261887.db2.gz GSUTVJSQPDMGDC-UHFFFAOYSA-N -1 3 345.443 2.624 20 30 EFEDHM C=CCNc1ncc(C(=O)[N-]c2nnc(-c3ccco3)s2)s1 ZINC000432913907 248004737 /nfs/dbraw/zinc/00/47/37/248004737.db2.gz BUGUKZFYSMLEBY-UHFFFAOYSA-N -1 3 333.398 2.527 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)s1 ZINC000435427475 248239423 /nfs/dbraw/zinc/23/94/23/248239423.db2.gz MWCSFQLOIONIRJ-UHFFFAOYSA-N -1 3 342.829 2.630 20 30 EFEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(C)cs1 ZINC000435421611 248239495 /nfs/dbraw/zinc/23/94/95/248239495.db2.gz ISGWLPGTPAYHNU-ZDUSSCGKSA-N -1 3 341.483 2.988 20 30 EFEDHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435429217 248240289 /nfs/dbraw/zinc/24/02/89/248240289.db2.gz WOINZAPURUPKLL-SNVBAGLBSA-N -1 3 340.401 2.505 20 30 EFEDHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435429206 248240398 /nfs/dbraw/zinc/24/03/98/248240398.db2.gz WMYNHWAVOXFQTL-HUUCEWRRSA-N -1 3 348.449 2.853 20 30 EFEDHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)s1)C1CCCC1 ZINC000435431011 248240892 /nfs/dbraw/zinc/24/08/92/248240892.db2.gz BDLOPQMJNSTNES-AWEZNQCLSA-N -1 3 342.486 2.883 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)s1 ZINC000435438066 248241593 /nfs/dbraw/zinc/24/15/93/248241593.db2.gz NNZINPYXSYRYBP-JOYOIKCWSA-N -1 3 340.376 2.732 20 30 EFEDHM Cc1ccc(OCCC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435444801 248243101 /nfs/dbraw/zinc/24/31/01/248243101.db2.gz SSTKGLKVNSDTQO-UHFFFAOYSA-N -1 3 336.438 2.676 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC(F)(F)F ZINC000266512226 248339210 /nfs/dbraw/zinc/33/92/10/248339210.db2.gz GWQZIEFPINJWLP-UHFFFAOYSA-N -1 3 329.322 2.667 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000435598451 249383408 /nfs/dbraw/zinc/38/34/08/249383408.db2.gz RMVWKGCQOVEYKA-ABAIWWIYSA-N -1 3 345.848 2.608 20 30 EFEDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000442790881 250119992 /nfs/dbraw/zinc/11/99/92/250119992.db2.gz MLLCXXIJASTFPC-VXGBXAGGSA-N -1 3 337.401 2.714 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2O ZINC000443215096 250172661 /nfs/dbraw/zinc/17/26/61/250172661.db2.gz WPQYXQVYAFAUMY-AWEZNQCLSA-N -1 3 348.811 2.883 20 30 EFEDHM Cc1sc(C[N-]S(=O)(=O)c2ccccc2C#N)nc1C(C)C ZINC000443063532 250155109 /nfs/dbraw/zinc/15/51/09/250155109.db2.gz ASLUFLLARWSJJY-UHFFFAOYSA-N -1 3 335.454 2.925 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000443074898 250159709 /nfs/dbraw/zinc/15/97/09/250159709.db2.gz UHMNWYLNIKRAAI-UHFFFAOYSA-N -1 3 334.347 2.804 20 30 EFEDHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443109489 250161584 /nfs/dbraw/zinc/16/15/84/250161584.db2.gz YXTFAZZKGLGYTI-GFCCVEGCSA-N -1 3 339.417 2.960 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1Cc2ccccc2C1 ZINC000443114248 250162580 /nfs/dbraw/zinc/16/25/80/250162580.db2.gz JWRDTGCKFLERAS-UHFFFAOYSA-N -1 3 346.839 2.905 20 30 EFEDHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1(C)C ZINC000443332475 250185471 /nfs/dbraw/zinc/18/54/71/250185471.db2.gz HUDSGLQMTJMWPI-DZGCQCFKSA-N -1 3 342.848 2.694 20 30 EFEDHM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1(C)C ZINC000443339015 250185917 /nfs/dbraw/zinc/18/59/17/250185917.db2.gz YTSWPGJKUSMIKC-DZGCQCFKSA-N -1 3 342.848 2.694 20 30 EFEDHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443485774 250199848 /nfs/dbraw/zinc/19/98/48/250199848.db2.gz GYPQFVRLQNNCIT-LSDHHAIUSA-N -1 3 340.420 2.569 20 30 EFEDHM CCC(CC)(CC)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443499517 250201374 /nfs/dbraw/zinc/20/13/74/250201374.db2.gz OHFBGJMXMBTDHV-UHFFFAOYSA-N -1 3 339.417 2.961 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000443511226 250202822 /nfs/dbraw/zinc/20/28/22/250202822.db2.gz QCBVXHDURBMHFR-UHFFFAOYSA-N -1 3 348.811 2.720 20 30 EFEDHM CC(C)(C#N)CCCCN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000444665548 250325394 /nfs/dbraw/zinc/32/53/94/250325394.db2.gz PESWRPYEQPZGPA-UHFFFAOYSA-N -1 3 329.444 2.870 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000445063641 250380377 /nfs/dbraw/zinc/38/03/77/250380377.db2.gz YLFCYDJZHWDGKW-LLVKDONJSA-N -1 3 329.393 2.635 20 30 EFEDHM Cn1nc(-c2cccs2)nc1[N-]C(=O)c1ncc(C#N)cc1Cl ZINC000448407872 250701194 /nfs/dbraw/zinc/70/11/94/250701194.db2.gz RDCAODRPCPIFPV-UHFFFAOYSA-N -1 3 344.787 2.716 20 30 EFEDHM C=CCC1(C(=O)NCCNC(=O)c2ccc([O-])cc2)CCCCC1 ZINC000449808869 251162859 /nfs/dbraw/zinc/16/28/59/251162859.db2.gz COQYOORROAUJMA-UHFFFAOYSA-N -1 3 330.428 2.765 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c(Cl)c1 ZINC000126605533 141368628 /nfs/dbraw/zinc/36/86/28/141368628.db2.gz AUBXSPAEVGXEQC-NSHDSACASA-N -1 3 330.862 2.776 20 30 EFEDHM Cc1ccc(CO)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000269230132 141411145 /nfs/dbraw/zinc/41/11/45/141411145.db2.gz SWFVHAQKQXQKEQ-UHFFFAOYSA-N -1 3 339.395 2.648 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1CC(C(F)(F)F)C1 ZINC000344956293 142102857 /nfs/dbraw/zinc/10/28/57/142102857.db2.gz PYOVUMJOOYWDKT-UHFFFAOYSA-N -1 3 338.738 2.831 20 30 EFEDHM CSc1[n-]c(=O)c(C(=O)Nc2cccc(CN(C)C)c2)cc1C#N ZINC000349838222 142365878 /nfs/dbraw/zinc/36/58/78/142365878.db2.gz JPXBLOHEPSBIFG-UHFFFAOYSA-N -1 3 342.424 2.695 20 30 EFEDHM CC(=O)c1cc(F)c([N-]S(=O)(=O)c2ccc(C#N)o2)c(F)c1F ZINC000342502650 145139421 /nfs/dbraw/zinc/13/94/21/145139421.db2.gz YAXIFJJMZRQURT-UHFFFAOYSA-N -1 3 344.270 2.572 20 30 EFEDHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000343907510 145321913 /nfs/dbraw/zinc/32/19/13/145321913.db2.gz AHANKGWORLVNIN-NWDGAFQWSA-N -1 3 342.848 2.695 20 30 EFEDHM Cc1cc(=O)[n-]c([C@H](C)N(C)CCOCc2ccc(C#N)cc2)n1 ZINC000344155710 145381287 /nfs/dbraw/zinc/38/12/87/145381287.db2.gz VZJSQQICRKJCLM-AWEZNQCLSA-N -1 3 326.400 2.572 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1OC(F)F ZINC000344221032 145395653 /nfs/dbraw/zinc/39/56/53/145395653.db2.gz PWELLHHNUVVUQA-VIFPVBQESA-N -1 3 342.323 2.792 20 30 EFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000351104151 146110668 /nfs/dbraw/zinc/11/06/68/146110668.db2.gz AYFDHTFFMSUGQR-UHFFFAOYSA-N -1 3 344.383 2.813 20 30 EFEDHM N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000351834931 146214674 /nfs/dbraw/zinc/21/46/74/146214674.db2.gz MLTVJNKGTTYTAQ-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000351834931 146214675 /nfs/dbraw/zinc/21/46/75/146214675.db2.gz MLTVJNKGTTYTAQ-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccccc1C#N ZINC000351995063 146259274 /nfs/dbraw/zinc/25/92/74/146259274.db2.gz OSVQRTKEOJPONC-UHFFFAOYSA-N -1 3 336.413 2.898 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)C(F)(F)F ZINC000356430688 147242717 /nfs/dbraw/zinc/24/27/17/147242717.db2.gz SCTJSPBEIWVJCR-MRVPVSSYSA-N -1 3 329.322 2.523 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(F)(F)F ZINC000356717993 147318227 /nfs/dbraw/zinc/31/82/27/147318227.db2.gz XFTDIOPWSQKXPS-SSDOTTSWSA-N -1 3 326.727 2.688 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC1CC1)CC1CC1 ZINC000359656593 148153576 /nfs/dbraw/zinc/15/35/76/148153576.db2.gz HXKQDPVAXOZRNX-UHFFFAOYSA-N -1 3 327.428 2.857 20 30 EFEDHM Cc1cc(C)c2ncc(C#N)c(NCc3nnc(C(F)(F)F)[n-]3)c2c1 ZINC000359709221 148167189 /nfs/dbraw/zinc/16/71/89/148167189.db2.gz FXPUKXKREGGQJG-UHFFFAOYSA-N -1 3 346.316 2.894 20 30 EFEDHM Cc1cc(C)c2ncc(C#N)c(NCc3n[n-]c(C(F)(F)F)n3)c2c1 ZINC000359709221 148167191 /nfs/dbraw/zinc/16/71/91/148167191.db2.gz FXPUKXKREGGQJG-UHFFFAOYSA-N -1 3 346.316 2.894 20 30 EFEDHM Cc1cc(C)c2ncc(C#N)c(NCc3nc(C(F)(F)F)n[n-]3)c2c1 ZINC000359709221 148167194 /nfs/dbraw/zinc/16/71/94/148167194.db2.gz FXPUKXKREGGQJG-UHFFFAOYSA-N -1 3 346.316 2.894 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)s1 ZINC000369178987 150293633 /nfs/dbraw/zinc/29/36/33/150293633.db2.gz ORGCZVAXOPDXHR-NUEKZKHPSA-N -1 3 330.434 2.626 20 30 EFEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccccc1C#N)c1nc(C)cs1 ZINC000122136652 222021847 /nfs/dbraw/zinc/02/18/47/222021847.db2.gz XWTUTOBIOHLAKL-OAHLLOKOSA-N -1 3 335.454 2.927 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCO2 ZINC000533096203 269951825 /nfs/dbraw/zinc/95/18/25/269951825.db2.gz WKGASXIYQTUKBB-UHFFFAOYSA-N -1 3 348.811 2.625 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000329516934 270026238 /nfs/dbraw/zinc/02/62/38/270026238.db2.gz PDJAXNMESNHNHG-LBPRGKRZSA-N -1 3 340.832 2.592 20 30 EFEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)CO2 ZINC000522058846 270034281 /nfs/dbraw/zinc/03/42/81/270034281.db2.gz FYYQUMDBFWCLKV-INIZCTEOSA-N -1 3 328.393 2.587 20 30 EFEDHM N#Cc1ccccc1OC1CCC(NC(=O)c2csc(=O)[n-]2)CC1 ZINC000525919634 270034664 /nfs/dbraw/zinc/03/46/64/270034664.db2.gz FRGWTZXUNQFADB-UHFFFAOYSA-N -1 3 343.408 2.840 20 30 EFEDHM CCC[C@H](OC)c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000296267448 266081534 /nfs/dbraw/zinc/08/15/34/266081534.db2.gz BYWVHUPWJSCCPJ-AWEZNQCLSA-N -1 3 330.388 2.932 20 30 EFEDHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000272068819 266143373 /nfs/dbraw/zinc/14/33/73/266143373.db2.gz QNKWWMMQWPWHQE-CABCVRRESA-N -1 3 340.420 2.569 20 30 EFEDHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000272068824 266143491 /nfs/dbraw/zinc/14/34/91/266143491.db2.gz QNKWWMMQWPWHQE-HUUCEWRRSA-N -1 3 340.420 2.569 20 30 EFEDHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000331243759 266345569 /nfs/dbraw/zinc/34/55/69/266345569.db2.gz ZADKLHIOLBFEQW-WDEREUQCSA-N -1 3 330.500 2.962 20 30 EFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@H]1C ZINC000330809915 267028128 /nfs/dbraw/zinc/02/81/28/267028128.db2.gz AHIRXFOMMXFCTN-IJLUTSLNSA-N -1 3 337.401 2.569 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000288245424 267187790 /nfs/dbraw/zinc/18/77/90/267187790.db2.gz BAQKKXGPUHQUKT-LURJTMIESA-N -1 3 346.252 2.806 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc(C)ccc1C ZINC000528564595 267196368 /nfs/dbraw/zinc/19/63/68/267196368.db2.gz JUVOHMNTYWGTEV-OAHLLOKOSA-N -1 3 329.425 3.000 20 30 EFEDHM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000179029632 267289945 /nfs/dbraw/zinc/28/99/45/267289945.db2.gz BLJDCHXYKIOOIB-LLVKDONJSA-N -1 3 328.393 2.991 20 30 EFEDHM Cc1cc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C#N ZINC000277919107 267351129 /nfs/dbraw/zinc/35/11/29/267351129.db2.gz MYBRUKNADMBQGD-UHFFFAOYSA-N -1 3 335.363 2.994 20 30 EFEDHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)C1CC1 ZINC000276987963 267503949 /nfs/dbraw/zinc/50/39/49/267503949.db2.gz HXJATCDSVVEREP-KRWDZBQOSA-N -1 3 327.409 2.691 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(n1)CCC2 ZINC000297277835 267624976 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CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)c(F)c1)CC(F)(F)F ZINC000416601429 477235418 /nfs/dbraw/zinc/23/54/18/477235418.db2.gz RWWFKGVPTNAPCR-SECBINFHSA-N -1 3 338.326 2.954 20 30 EFEDHM CN(C)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000619825548 479891374 /nfs/dbraw/zinc/89/13/74/479891374.db2.gz RINPLYIHDVTFGT-QGZVFWFLSA-N -1 3 343.814 2.950 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2ncccc21 ZINC000015760296 471916242 /nfs/dbraw/zinc/91/62/42/471916242.db2.gz BPZYEOIVLYRIMX-UHFFFAOYSA-N -1 3 346.390 2.983 20 30 EFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000054157718 472063519 /nfs/dbraw/zinc/06/35/19/472063519.db2.gz PBFGRUHHGURQKH-SSDOTTSWSA-N -1 3 337.626 2.540 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cnc3c(cnn3C(C)C)c2)nc(C)n1 ZINC000041561454 472069314 /nfs/dbraw/zinc/06/93/14/472069314.db2.gz FWXWOCGRNYEZPE-OAHLLOKOSA-N -1 3 334.383 2.909 20 30 EFEDHM CC(=O)N[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1cccs1 ZINC000043751412 472259957 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Cc1ccc([O-])c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000031403715 472377910 /nfs/dbraw/zinc/37/79/10/472377910.db2.gz UZSHRWLLFCGJDH-UHFFFAOYSA-N -1 3 339.370 2.674 20 30 EFEDHM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000076687364 472385107 /nfs/dbraw/zinc/38/51/07/472385107.db2.gz YLAQTFCYSZOZEJ-SECBINFHSA-N -1 3 343.318 2.610 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000116906078 472447317 /nfs/dbraw/zinc/44/73/17/472447317.db2.gz MDPIIEQYMYPHCN-MRVPVSSYSA-N -1 3 349.206 2.600 20 30 EFEDHM CCCOc1ccc(/C=N/C2CCN(C(=O)CCOC)CC2)c([O-])c1 ZINC000128481380 472458786 /nfs/dbraw/zinc/45/87/86/472458786.db2.gz UYZAIINZPUIGEF-XSFVSMFZSA-N -1 3 348.443 2.627 20 30 EFEDHM COc1cc(C(=O)[N-]c2ncc(Cc3ccc(C#N)cc3)s2)on1 ZINC000154699031 472461760 /nfs/dbraw/zinc/46/17/60/472461760.db2.gz HSZVPBNBMZOKEG-UHFFFAOYSA-N -1 3 340.364 2.854 20 30 EFEDHM C#CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000045903164 472483904 /nfs/dbraw/zinc/48/39/04/472483904.db2.gz KLZSWSPWHMCWDP-UHFFFAOYSA-N -1 3 348.811 2.504 20 30 EFEDHM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc(=O)[nH]1 ZINC000097370239 472492622 /nfs/dbraw/zinc/49/26/22/472492622.db2.gz LLVIWLVHNOZQIV-CYBMUJFWSA-N -1 3 336.376 2.692 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cncc2ccccc21 ZINC000089762666 472500949 /nfs/dbraw/zinc/50/09/49/472500949.db2.gz XXCPUEPQHWNAQR-UHFFFAOYSA-N -1 3 346.390 2.983 20 30 EFEDHM CCCC(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000077527792 472548375 /nfs/dbraw/zinc/54/83/75/472548375.db2.gz YSQQBODHNSDGHW-LLVKDONJSA-N -1 3 331.376 2.691 20 30 EFEDHM CCCC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000077527792 472548377 /nfs/dbraw/zinc/54/83/77/472548377.db2.gz YSQQBODHNSDGHW-LLVKDONJSA-N -1 3 331.376 2.691 20 30 EFEDHM CCCC(=O)N1CCC[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000077527792 472548383 /nfs/dbraw/zinc/54/83/83/472548383.db2.gz YSQQBODHNSDGHW-LLVKDONJSA-N -1 3 331.376 2.691 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000046444635 472559378 /nfs/dbraw/zinc/55/93/78/472559378.db2.gz QLHSNNQNDIUCDR-AWEZNQCLSA-N -1 3 329.444 2.832 20 30 EFEDHM COc1cc(C#N)ccc1OCCCC(=O)[N-]OCc1ccccc1 ZINC000046796718 472601717 /nfs/dbraw/zinc/60/17/17/472601717.db2.gz BMZBSORILCPCQZ-UHFFFAOYSA-N -1 3 340.379 2.974 20 30 EFEDHM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1nc2ccccc2[nH]1 ZINC000130944681 472637489 /nfs/dbraw/zinc/63/74/89/472637489.db2.gz GKGFWZLLNWRGFA-LBPRGKRZSA-N -1 3 328.335 2.634 20 30 EFEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)cc1C ZINC000060505348 472662433 /nfs/dbraw/zinc/66/24/33/472662433.db2.gz BMGRELVMABPJRF-UHFFFAOYSA-N -1 3 345.380 2.562 20 30 EFEDHM C=CCCS(=O)(=O)[N-]c1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000120311703 472665756 /nfs/dbraw/zinc/66/57/56/472665756.db2.gz ARHXERAGTGJKJB-UHFFFAOYSA-N -1 3 347.227 2.892 20 30 EFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)NCc1cccc(C#N)c1)c2=O ZINC000156106444 472666448 /nfs/dbraw/zinc/66/64/48/472666448.db2.gz SKDUOTABKWHBEH-UHFFFAOYSA-N -1 3 335.338 2.777 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)(F)F)C(C)C ZINC000060712273 472676122 /nfs/dbraw/zinc/67/61/22/472676122.db2.gz BEZWIDDFZYQSII-UHFFFAOYSA-N -1 3 343.349 2.595 20 30 EFEDHM CC(C)(C)CCC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120429198 472687265 /nfs/dbraw/zinc/68/72/65/472687265.db2.gz NTOHAAOUGQZRRR-UHFFFAOYSA-N -1 3 325.390 2.571 20 30 EFEDHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C#N)Cc1ccc(C)cc1 ZINC000061413913 472700534 /nfs/dbraw/zinc/70/05/34/472700534.db2.gz AJDHZOQMQWCGKI-ZDUSSCGKSA-N -1 3 343.408 2.813 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000078399305 472709792 /nfs/dbraw/zinc/70/97/92/472709792.db2.gz WQHJZNUCDSWVCK-QAPCUYQASA-N -1 3 341.455 2.977 20 30 EFEDHM Cc1ccnc2nc(C(=O)[N-]c3ccccc3SCCC#N)nn21 ZINC000078568467 472736106 /nfs/dbraw/zinc/73/61/06/472736106.db2.gz YQUXRSSXSFBNKV-UHFFFAOYSA-N -1 3 338.396 2.691 20 30 EFEDHM C=CCNC(=O)c1ccc(NC([O-])=NOCCC(F)(F)F)cc1 ZINC000156666827 472737777 /nfs/dbraw/zinc/73/77/77/472737777.db2.gz GMZNCLBDQJAKGA-UHFFFAOYSA-N -1 3 331.294 2.608 20 30 EFEDHM C=CCNC(=O)c1ccc(NC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000156666827 472737784 /nfs/dbraw/zinc/73/77/84/472737784.db2.gz GMZNCLBDQJAKGA-UHFFFAOYSA-N -1 3 331.294 2.608 20 30 EFEDHM CCN(C(=O)c1cnc2c(cnn2C)c1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000132607413 472744627 /nfs/dbraw/zinc/74/46/27/472744627.db2.gz ZXEBQHKFQCSKFN-GFCCVEGCSA-N -1 3 349.394 2.769 20 30 EFEDHM O=C(CNC(=O)c1cccc(Cl)c1)Nc1nnc(-c2ccco2)[n-]1 ZINC000078868670 472779462 /nfs/dbraw/zinc/77/94/62/472779462.db2.gz WVDUAYCZUMDDEP-UHFFFAOYSA-N -1 3 345.746 2.736 20 30 EFEDHM O=C(CNC(=O)c1cccc(Cl)c1)Nc1nc(-c2ccco2)n[n-]1 ZINC000078868670 472779466 /nfs/dbraw/zinc/77/94/66/472779466.db2.gz WVDUAYCZUMDDEP-UHFFFAOYSA-N -1 3 345.746 2.736 20 30 EFEDHM O=C(CNC(=O)c1cccc(Cl)c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868670 472779471 /nfs/dbraw/zinc/77/94/71/472779471.db2.gz WVDUAYCZUMDDEP-UHFFFAOYSA-N -1 3 345.746 2.736 20 30 EFEDHM CCNC(=O)C(C)(C)C/N=C/c1cc(Br)ccc1[O-] ZINC000157191951 472794532 /nfs/dbraw/zinc/79/45/32/472794532.db2.gz GNJGIHYKTNWJLI-LZYBPNLTSA-N -1 3 327.222 2.736 20 30 EFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000064024967 472830345 /nfs/dbraw/zinc/83/03/45/472830345.db2.gz UWMIVZSXGWKEKW-UHFFFAOYSA-N -1 3 339.355 2.538 20 30 EFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(N2CCOCC2)cc1 ZINC000064024967 472830349 /nfs/dbraw/zinc/83/03/49/472830349.db2.gz UWMIVZSXGWKEKW-UHFFFAOYSA-N -1 3 339.355 2.538 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(N2CCOCC2)cc1 ZINC000064024967 472830357 /nfs/dbraw/zinc/83/03/57/472830357.db2.gz UWMIVZSXGWKEKW-UHFFFAOYSA-N -1 3 339.355 2.538 20 30 EFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1c([O-])cccc1O ZINC000092123937 472865969 /nfs/dbraw/zinc/86/59/69/472865969.db2.gz IDYNFFLBJMOUIN-UHFFFAOYSA-N -1 3 335.281 2.898 20 30 EFEDHM CS[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000157915755 472872768 /nfs/dbraw/zinc/87/27/68/472872768.db2.gz HERGPJPXNZNDBQ-QMMMGPOBSA-N -1 3 338.376 2.607 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2c[nH]c3cc([N+](=O)[O-])ccc23)nc(C)n1 ZINC000049406158 472948632 /nfs/dbraw/zinc/94/86/32/472948632.db2.gz BTUZXFHVAUITAS-ZDUSSCGKSA-N -1 3 335.323 2.973 20 30 EFEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)c1 ZINC000122341580 473003458 /nfs/dbraw/zinc/00/34/58/473003458.db2.gz IKODWLBWWPLZER-HNNXBMFYSA-N -1 3 343.770 2.999 20 30 EFEDHM CN(C)c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1F ZINC000065880100 473022437 /nfs/dbraw/zinc/02/24/37/473022437.db2.gz RLNLVUGTZUIUTR-UHFFFAOYSA-N -1 3 326.335 2.708 20 30 EFEDHM CN(C)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1F ZINC000065880100 473022440 /nfs/dbraw/zinc/02/24/40/473022440.db2.gz RLNLVUGTZUIUTR-UHFFFAOYSA-N -1 3 326.335 2.708 20 30 EFEDHM CN(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1F ZINC000065880100 473022448 /nfs/dbraw/zinc/02/24/48/473022448.db2.gz RLNLVUGTZUIUTR-UHFFFAOYSA-N -1 3 326.335 2.708 20 30 EFEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OCC(N)=O)cc2)n1 ZINC000080456473 473034468 /nfs/dbraw/zinc/03/44/68/473034468.db2.gz AYYKQXTXQFEYAU-CYBMUJFWSA-N -1 3 343.408 2.621 20 30 EFEDHM N#Cc1ccc(CSCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000051266062 473036041 /nfs/dbraw/zinc/03/60/41/473036041.db2.gz CYDIPXGNKGUNIS-UHFFFAOYSA-N -1 3 341.318 2.567 20 30 EFEDHM N#Cc1ccc(CSCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000051266062 473036047 /nfs/dbraw/zinc/03/60/47/473036047.db2.gz CYDIPXGNKGUNIS-UHFFFAOYSA-N -1 3 341.318 2.567 20 30 EFEDHM Cc1ccc([O-])c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000122636788 473040176 /nfs/dbraw/zinc/04/01/76/473040176.db2.gz ALRWBEQKTDPYKL-SFHVURJKSA-N -1 3 335.407 2.723 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1coc2ccccc12 ZINC000074666398 473042487 /nfs/dbraw/zinc/04/24/87/473042487.db2.gz OFLSNUBGVHWQKT-UHFFFAOYSA-N -1 3 349.390 2.859 20 30 EFEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(C(F)(F)F)c[nH]c2=O)c(F)c1 ZINC000123172283 473105158 /nfs/dbraw/zinc/10/51/58/473105158.db2.gz VFRMBISMFQZJMU-UHFFFAOYSA-N -1 3 343.211 2.796 20 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/nfs/dbraw/zinc/42/21/38/473422138.db2.gz TUGAQSVUZCZHQG-VIFPVBQESA-N -1 3 339.417 2.756 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)c(F)c1 ZINC000151209258 473426732 /nfs/dbraw/zinc/42/67/32/473426732.db2.gz SYRCVFKOGVKPBL-UHFFFAOYSA-N -1 3 334.347 2.804 20 30 EFEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nccs1 ZINC000151466652 473460864 /nfs/dbraw/zinc/46/08/64/473460864.db2.gz JPCULLMYDLSUKI-CQSZACIVSA-N -1 3 339.417 2.758 20 30 EFEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nccs1 ZINC000151466599 473461187 /nfs/dbraw/zinc/46/11/87/473461187.db2.gz JPCULLMYDLSUKI-AWEZNQCLSA-N -1 3 339.417 2.758 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)c(F)c1 ZINC000151500203 473465565 /nfs/dbraw/zinc/46/55/65/473465565.db2.gz DWHPOEWNDYSLEB-UHFFFAOYSA-N -1 3 348.374 2.847 20 30 EFEDHM Cc1cnc([C@H](C)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)s1 ZINC000164290916 473485143 /nfs/dbraw/zinc/48/51/43/473485143.db2.gz MDNSCMWNCREFBR-JTQLQIEISA-N -1 3 339.417 2.643 20 30 EFEDHM CC(C)N1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1=O ZINC000114630842 473486823 /nfs/dbraw/zinc/48/68/23/473486823.db2.gz DSRDAEAYQPFVCJ-WIJRQFRKSA-N -1 3 325.206 2.583 20 30 EFEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@H](C)C#N)s2)cs1 ZINC000178355751 473497834 /nfs/dbraw/zinc/49/78/34/473497834.db2.gz KWRYOSSXKZQUEN-MRVPVSSYSA-N -1 3 327.456 2.618 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1c[nH]c2ccccc12 ZINC000178489906 473521046 /nfs/dbraw/zinc/52/10/46/473521046.db2.gz VVGCDRODEXNIQL-UHFFFAOYSA-N -1 3 343.383 2.700 20 30 EFEDHM CCC1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCC1 ZINC000126552621 473526553 /nfs/dbraw/zinc/52/65/53/473526553.db2.gz WCVHEDYTIBRTJX-UHFFFAOYSA-N -1 3 337.401 2.715 20 30 EFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000178731595 473549604 /nfs/dbraw/zinc/54/96/04/473549604.db2.gz BLSKPWNDGAJVPE-ZETCQYMHSA-N -1 3 337.626 2.540 20 30 EFEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191555591 473554419 /nfs/dbraw/zinc/55/44/19/473554419.db2.gz WLAUKEWJSQHDFL-GUYCJALGSA-N -1 3 332.425 2.812 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000172473103 473618083 /nfs/dbraw/zinc/61/80/83/473618083.db2.gz QDMALYOMSUJUFA-RYUDHWBXSA-N -1 3 329.444 2.737 20 30 EFEDHM COC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCCC1 ZINC000186277396 473637264 /nfs/dbraw/zinc/63/72/64/473637264.db2.gz ZBVWMNFYRBSTQT-UHFFFAOYSA-N -1 3 342.848 2.839 20 30 EFEDHM Cc1cc(C#N)ccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000186296260 473641471 /nfs/dbraw/zinc/64/14/71/473641471.db2.gz XVYSYNMQVLVYCI-UHFFFAOYSA-N -1 3 335.407 2.530 20 30 EFEDHM CC(=O)Nc1nc(C(=O)[N-]c2sc3c(c2C#N)CCC3)cs1 ZINC000172679103 473670509 /nfs/dbraw/zinc/67/05/09/473670509.db2.gz QXZVLTBBDLIXTR-UHFFFAOYSA-N -1 3 332.410 2.776 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000186437754 473674035 /nfs/dbraw/zinc/67/40/35/473674035.db2.gz QQXLNTDQMBWXFI-VIFPVBQESA-N -1 3 331.781 2.527 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nccs1 ZINC000186681817 473726759 /nfs/dbraw/zinc/72/67/59/473726759.db2.gz XMRBZFCUONUWKL-VIFPVBQESA-N -1 3 341.845 2.750 20 30 EFEDHM CCCCCCCC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000180062099 473788745 /nfs/dbraw/zinc/78/87/45/473788745.db2.gz LAIVIWVHGCOLAQ-HNNXBMFYSA-N -1 3 331.416 2.736 20 30 EFEDHM CCn1c(C)cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c1C ZINC000193525792 473792000 /nfs/dbraw/zinc/79/20/00/473792000.db2.gz STFIXPZAJLQGJD-HNNXBMFYSA-N -1 3 325.416 2.933 20 30 EFEDHM CC#CCCCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000274364664 473793640 /nfs/dbraw/zinc/79/36/40/473793640.db2.gz BSCCMUGRHMSPMY-UHFFFAOYSA-N -1 3 337.803 2.741 20 30 EFEDHM COc1cc2c(cc1C/N=C/c1ccc(O)c([O-])c1O)O[C@@H](C)C2 ZINC000269404638 473801922 /nfs/dbraw/zinc/80/19/22/473801922.db2.gz DMRVVUGHKXBJJM-WHGJXMNKSA-N -1 3 329.352 2.755 20 30 EFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc2nn[n-]c21 ZINC000180118454 473803875 /nfs/dbraw/zinc/80/38/75/473803875.db2.gz SHOHRDPMUDCWRG-UHFFFAOYSA-N -1 3 344.296 2.758 20 30 EFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc2[n-]nnc21 ZINC000180118454 473803884 /nfs/dbraw/zinc/80/38/84/473803884.db2.gz SHOHRDPMUDCWRG-UHFFFAOYSA-N -1 3 344.296 2.758 20 30 EFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc2n[n-]nc21 ZINC000180118454 473803892 /nfs/dbraw/zinc/80/38/92/473803892.db2.gz SHOHRDPMUDCWRG-UHFFFAOYSA-N -1 3 344.296 2.758 20 30 EFEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCS1 ZINC000180136030 473807492 /nfs/dbraw/zinc/80/74/92/473807492.db2.gz JZCFBIZMKHJPRI-CYBMUJFWSA-N -1 3 330.862 2.776 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)c1[O-] ZINC000281765329 473830578 /nfs/dbraw/zinc/83/05/78/473830578.db2.gz KOPDZCPFKRLLSO-PHTPUPHYSA-N -1 3 336.313 2.980 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCSCC1 ZINC000269680796 473858928 /nfs/dbraw/zinc/85/89/28/473858928.db2.gz SKKAPSRGDTYPQE-UHFFFAOYSA-N -1 3 330.862 2.633 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000269715379 473869460 /nfs/dbraw/zinc/86/94/60/473869460.db2.gz RYYJTNSORMWCLX-ZDUSSCGKSA-N -1 3 340.832 2.592 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(=O)[nH]c(C2CC2)c1 ZINC000187467449 473877235 /nfs/dbraw/zinc/87/72/35/473877235.db2.gz SDPPZLHGFZSPOY-CYBMUJFWSA-N -1 3 332.363 2.629 20 30 EFEDHM N#Cc1ccc(CN2CCN(Cc3cc([O-])cc(F)c3)CC2)cc1 ZINC000274581529 473881868 /nfs/dbraw/zinc/88/18/68/473881868.db2.gz NTNPHUUYDFUGHG-UHFFFAOYSA-N -1 3 325.387 2.721 20 30 EFEDHM Cc1csc([C@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000288233700 473882610 /nfs/dbraw/zinc/88/26/10/473882610.db2.gz FQEABDFZCLOXGO-OAHLLOKOSA-N -1 3 347.465 2.894 20 30 EFEDHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)n1 ZINC000288259346 473890863 /nfs/dbraw/zinc/89/08/63/473890863.db2.gz HHVZROUPRYIHNJ-UHFFFAOYSA-N -1 3 335.454 2.758 20 30 EFEDHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)o1 ZINC000288437318 473942977 /nfs/dbraw/zinc/94/29/77/473942977.db2.gz UEAYISRBBMGWKG-INIZCTEOSA-N -1 3 348.424 2.521 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC#N)CC(C)(C)C ZINC000264339028 473960552 /nfs/dbraw/zinc/96/05/52/473960552.db2.gz YFHCSQMLCNQRAO-UHFFFAOYSA-N -1 3 342.443 2.997 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000180855670 473978099 /nfs/dbraw/zinc/97/80/99/473978099.db2.gz PLGJKCDEXYDRPS-NSHDSACASA-N -1 3 329.393 2.635 20 30 EFEDHM CCC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCOCC1 ZINC000274849737 473988570 /nfs/dbraw/zinc/98/85/70/473988570.db2.gz HFJVDTWMVYAWEP-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM N#Cc1ccccc1-c1ccc(Cn2cc(Cl)c(=O)[n-]c2=O)cc1 ZINC000174124992 473991291 /nfs/dbraw/zinc/99/12/91/473991291.db2.gz AKXGAFINNWLGKA-UHFFFAOYSA-N -1 3 337.766 2.777 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000181817265 474065129 /nfs/dbraw/zinc/06/51/29/474065129.db2.gz LGNXJHJYDDTJPJ-INIZCTEOSA-N -1 3 333.409 2.549 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000282490829 474085697 /nfs/dbraw/zinc/08/56/97/474085697.db2.gz FSGGEMSNQORLKM-QMMMGPOBSA-N -1 3 335.198 2.559 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000282490823 474086011 /nfs/dbraw/zinc/08/60/11/474086011.db2.gz FSGGEMSNQORLKM-MRVPVSSYSA-N -1 3 335.198 2.559 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000188556858 474127176 /nfs/dbraw/zinc/12/71/76/474127176.db2.gz HCDHZXHQFQVXGN-OAHLLOKOSA-N -1 3 342.233 3.000 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H](c2c(F)cccc2F)N(C)C)c1[O-] ZINC000265116016 474167637 /nfs/dbraw/zinc/16/76/37/474167637.db2.gz DUTOMEAVDQUOIB-ITFLWDOHSA-N -1 3 349.381 2.588 20 30 EFEDHM CC(C)Oc1ccc([C@@H](O)C/N=C/c2ccc(O)c([O-])c2O)cc1 ZINC000265226875 474170252 /nfs/dbraw/zinc/17/02/52/474170252.db2.gz UKFJGHAEWHTVGS-ARFNDINWSA-N -1 3 331.368 2.743 20 30 EFEDHM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2)n1 ZINC000182564908 474208275 /nfs/dbraw/zinc/20/82/75/474208275.db2.gz TYXOEALVGLMECS-AWEZNQCLSA-N -1 3 342.362 2.848 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)c(Cl)c1 ZINC000189028520 474269613 /nfs/dbraw/zinc/26/96/13/474269613.db2.gz RDOXAPQPSDDTSF-UHFFFAOYSA-N -1 3 347.827 2.617 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2ccc(O[C@H]3CCOC3)cc2)c1[O-] ZINC000265736396 474315706 /nfs/dbraw/zinc/31/57/06/474315706.db2.gz ZJMBZJFVKJKBSP-FCASDWRQSA-N -1 3 328.368 2.506 20 30 EFEDHM CC(C)COCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183430911 474380226 /nfs/dbraw/zinc/38/02/26/474380226.db2.gz AJVMZVARMUCFSO-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM N#CC(=C([O-])c1ccnc(O[C@@H]2CCOC2)c1)c1nc2ccccc2[nH]1 ZINC000183451914 474381506 /nfs/dbraw/zinc/38/15/06/474381506.db2.gz TZRHKFPCNHPSHC-ZIAGYGMSSA-N -1 3 348.362 2.616 20 30 EFEDHM N#Cc1ccsc1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608930680 480104505 /nfs/dbraw/zinc/10/45/05/480104505.db2.gz ABXQUSFMRJGDAJ-UHFFFAOYSA-N -1 3 331.309 2.551 20 30 EFEDHM N#CCCCOc1cccnc1NC([O-])=NOCCC(F)(F)F ZINC000276076716 474409227 /nfs/dbraw/zinc/40/92/27/474409227.db2.gz NFAXVKDMFCMEHF-UHFFFAOYSA-N -1 3 332.282 2.770 20 30 EFEDHM N#CCCCOc1cccnc1NC(=O)[N-]OCCC(F)(F)F ZINC000276076716 474409233 /nfs/dbraw/zinc/40/92/33/474409233.db2.gz NFAXVKDMFCMEHF-UHFFFAOYSA-N -1 3 332.282 2.770 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCc2nc(C(F)(F)F)cs2)c1[O-] ZINC000266362176 474430848 /nfs/dbraw/zinc/43/08/48/474430848.db2.gz SFFDIXBRYGCAFK-BLLMUTORSA-N -1 3 345.346 2.725 20 30 EFEDHM CC#CCCCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000184305048 474497696 /nfs/dbraw/zinc/49/76/96/474497696.db2.gz KFBDLCYMRLRUHJ-UHFFFAOYSA-N -1 3 328.412 2.763 20 30 EFEDHM CC[C@@](C)(OC)c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000290236977 474563001 /nfs/dbraw/zinc/56/30/01/474563001.db2.gz ZWSFOROPTJUDJX-QGZVFWFLSA-N -1 3 330.388 2.716 20 30 EFEDHM CCc1ccc([C@H](C#N)NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000290279495 474563807 /nfs/dbraw/zinc/56/38/07/474563807.db2.gz XVFVRCQWSKKSPI-KRWDZBQOSA-N -1 3 338.411 2.675 20 30 EFEDHM COc1ccc(C[C@](C)(O)C/N=C/c2ccccc2[O-])cc1OC ZINC000290421955 474570850 /nfs/dbraw/zinc/57/08/50/474570850.db2.gz AXUBTMPILIJSOE-GUBFPNNNSA-N -1 3 329.396 2.822 20 30 EFEDHM N#CCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276951103 474574738 /nfs/dbraw/zinc/57/47/38/474574738.db2.gz DZNDTVYEYUVPAT-UHFFFAOYSA-N -1 3 337.626 2.685 20 30 EFEDHM CO[C@H](c1ccccc1F)[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000271833790 474595949 /nfs/dbraw/zinc/59/59/49/474595949.db2.gz RIICFOHKDLJJLB-NGJVAEMFSA-N -1 3 332.375 2.922 20 30 EFEDHM CC(C)(C#N)c1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000278116787 474601106 /nfs/dbraw/zinc/60/11/06/474601106.db2.gz LZHFQJJLWDPELW-LLVKDONJSA-N -1 3 325.290 2.865 20 30 EFEDHM COCC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1ccco1 ZINC000272433519 474612411 /nfs/dbraw/zinc/61/24/11/474612411.db2.gz PNSYHVRPJHZHOL-AWEZNQCLSA-N -1 3 334.397 2.516 20 30 EFEDHM CCN(CC)c1ccc(C=Nn2c(C)cc(C)c(C#N)c2=O)c([O-])c1 ZINC000252460854 474660420 /nfs/dbraw/zinc/66/04/20/474660420.db2.gz IPLPJCAZSREUMJ-UHFFFAOYSA-N -1 3 338.411 2.771 20 30 EFEDHM COCC1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCC1 ZINC000292846946 474673953 /nfs/dbraw/zinc/67/39/53/474673953.db2.gz QCIMJSUASGJCAR-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)ccn1 ZINC000337145222 474737227 /nfs/dbraw/zinc/73/72/27/474737227.db2.gz XFVXSPUVWSAVSX-UHFFFAOYSA-N -1 3 341.314 2.503 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)n1ccccc1=NC(C)C ZINC000253531051 474763517 /nfs/dbraw/zinc/76/35/17/474763517.db2.gz WUGNPPHYHNSSRA-UHFFFAOYSA-N -1 3 338.411 2.659 20 30 EFEDHM N#CCn1c(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc2ccccc21 ZINC000609201952 480126494 /nfs/dbraw/zinc/12/64/94/480126494.db2.gz FXUQAFQUMMKVNA-UHFFFAOYSA-N -1 3 332.323 2.795 20 30 EFEDHM N#CCn1c(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc2ccccc21 ZINC000609201952 480126499 /nfs/dbraw/zinc/12/64/99/480126499.db2.gz FXUQAFQUMMKVNA-UHFFFAOYSA-N -1 3 332.323 2.795 20 30 EFEDHM N#CCn1c(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc2ccccc21 ZINC000609201952 480126502 /nfs/dbraw/zinc/12/65/02/480126502.db2.gz FXUQAFQUMMKVNA-UHFFFAOYSA-N -1 3 332.323 2.795 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)c1ccccc1 ZINC000344890578 474807240 /nfs/dbraw/zinc/80/72/40/474807240.db2.gz AOELDAKCPXGGCW-UHFFFAOYSA-N -1 3 349.383 2.604 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1ccsc1C(=O)OC)c1ccccc1 ZINC000344952855 474818052 /nfs/dbraw/zinc/81/80/52/474818052.db2.gz RIEMOYMERQVKJZ-UHFFFAOYSA-N -1 3 337.422 2.526 20 30 EFEDHM Cc1sc(S(=O)(=O)[N-]CC(C)(C)CCC#N)cc1[N+](=O)[O-] ZINC000344957800 474818513 /nfs/dbraw/zinc/81/85/13/474818513.db2.gz PRSIRUJKDWYWGI-UHFFFAOYSA-N -1 3 331.419 2.573 20 30 EFEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000284986624 474854452 /nfs/dbraw/zinc/85/44/52/474854452.db2.gz FATOHRPAERTOPC-NSHDSACASA-N -1 3 339.269 2.917 20 30 EFEDHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H](C)c1ccc(C#N)cc1)c2=O ZINC000339050900 474880769 /nfs/dbraw/zinc/88/07/69/474880769.db2.gz AAZGQSBAWXKJSO-GFCCVEGCSA-N -1 3 347.374 2.899 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1c(F)cc(F)cc1F ZINC000339053787 474884884 /nfs/dbraw/zinc/88/48/84/474884884.db2.gz KKXDCIPZMFMGCU-UHFFFAOYSA-N -1 3 344.289 2.593 20 30 EFEDHM CCOC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCC1 ZINC000319755147 474902987 /nfs/dbraw/zinc/90/29/87/474902987.db2.gz NFJNQUJDCREFRC-UHFFFAOYSA-N -1 3 342.848 2.839 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc3cccnc32)s1 ZINC000320111921 474908178 /nfs/dbraw/zinc/90/81/78/474908178.db2.gz ZLPKQCIWXPDIQF-UHFFFAOYSA-N -1 3 329.406 2.646 20 30 EFEDHM Cc1cccc(F)c1S(=O)(=O)[N-]C1(c2cccc(C#N)c2)CC1 ZINC000341075595 474946544 /nfs/dbraw/zinc/94/65/44/474946544.db2.gz INJVNRRLGNSULE-UHFFFAOYSA-N -1 3 330.384 2.973 20 30 EFEDHM N#Cc1ccc(CN(C(=O)c2cc(F)cc3[n-]nnc32)C2CC2)cc1 ZINC000337380308 474957457 /nfs/dbraw/zinc/95/74/57/474957457.db2.gz BXYLPQVCAQVLHF-UHFFFAOYSA-N -1 3 335.342 2.773 20 30 EFEDHM N#Cc1ccc(CN(C(=O)c2cc(F)cc3nn[n-]c32)C2CC2)cc1 ZINC000337380308 474957463 /nfs/dbraw/zinc/95/74/63/474957463.db2.gz BXYLPQVCAQVLHF-UHFFFAOYSA-N -1 3 335.342 2.773 20 30 EFEDHM N#Cc1ccc(CN(C(=O)c2cc(F)cc3n[n-]nc32)C2CC2)cc1 ZINC000337380308 474957470 /nfs/dbraw/zinc/95/74/70/474957470.db2.gz 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335.347 2.717 20 30 EFEDHM C=CCC[C@H](CO)NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000456763341 476728418 /nfs/dbraw/zinc/72/84/18/476728418.db2.gz HAHOAIFZHKXUJC-SECBINFHSA-N -1 3 325.821 2.849 20 30 EFEDHM N#Cc1cccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000430144773 476767723 /nfs/dbraw/zinc/76/77/23/476767723.db2.gz AWSNJNYJGFZDGH-UHFFFAOYSA-N -1 3 341.168 2.643 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCOC(C)(C)C1 ZINC000457162072 476908375 /nfs/dbraw/zinc/90/83/75/476908375.db2.gz RKRSEQPIJOLIOS-AWEZNQCLSA-N -1 3 345.443 2.530 20 30 EFEDHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc2[nH]1 ZINC000446783667 476920410 /nfs/dbraw/zinc/92/04/10/476920410.db2.gz GGENFRQFHZYNTG-UHFFFAOYSA-N -1 3 326.381 2.852 20 30 EFEDHM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2[nH]1 ZINC000446783667 476920412 /nfs/dbraw/zinc/92/04/12/476920412.db2.gz GGENFRQFHZYNTG-UHFFFAOYSA-N -1 3 326.381 2.852 20 30 EFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416492180 477185434 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C=CCOc1ccc(CN[C@@H](Cn2cc(C)cn2)C(=O)[O-])cc1Cl ZINC000426722813 477743428 /nfs/dbraw/zinc/74/34/28/477743428.db2.gz IYLGAFZFHCKRRJ-HNNXBMFYSA-N -1 3 349.818 2.653 20 30 EFEDHM COC(=O)[C@H](CNc1nccc(C)c1C#N)Cc1ccc([O-])c(F)c1 ZINC000420631934 477763435 /nfs/dbraw/zinc/76/34/35/477763435.db2.gz HBLVWKFFRAFUKN-ZDUSSCGKSA-N -1 3 343.358 2.550 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420692282 477764717 /nfs/dbraw/zinc/76/47/17/477764717.db2.gz RUPGHMZVNNFEDU-VIFPVBQESA-N -1 3 338.763 2.912 20 30 EFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000450996589 477785993 /nfs/dbraw/zinc/78/59/93/477785993.db2.gz HHUDFKISSMHJIP-GFCCVEGCSA-N -1 3 349.225 2.556 20 30 EFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000450996766 477786680 /nfs/dbraw/zinc/78/66/80/477786680.db2.gz HHUDFKISSMHJIP-LBPRGKRZSA-N -1 3 349.225 2.556 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)F ZINC000451088589 477817768 /nfs/dbraw/zinc/81/77/68/477817768.db2.gz 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C=CCCCS(=O)(=O)[N-]C1(c2noc(C)n2)CCCCCC1 ZINC000489116865 478218887 /nfs/dbraw/zinc/21/88/87/478218887.db2.gz NLJICDKJKXTVMR-UHFFFAOYSA-N -1 3 327.450 2.813 20 30 EFEDHM C[C@]1(NC(=O)c2ccc(C#N)c([O-])c2)CCN(Cc2ccccc2)C1 ZINC000519545914 478232995 /nfs/dbraw/zinc/23/29/95/478232995.db2.gz ONUOPIQCUTYMJM-FQEVSTJZSA-N -1 3 335.407 2.658 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000562358262 478237608 /nfs/dbraw/zinc/23/76/08/478237608.db2.gz OAAQVZGCGJPLRI-HOTGVXAUSA-N -1 3 341.436 2.643 20 30 EFEDHM C=CCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000489459521 478247325 /nfs/dbraw/zinc/24/73/25/478247325.db2.gz GKNALOJHDLHHQR-UHFFFAOYSA-N -1 3 341.820 2.776 20 30 EFEDHM C=CCCCS(=O)(=O)[N-][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000489535407 478254367 /nfs/dbraw/zinc/25/43/67/478254367.db2.gz WCPZKRJFFIPTNV-ZDUSSCGKSA-N -1 3 335.429 2.607 20 30 EFEDHM C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000489706654 478265177 /nfs/dbraw/zinc/26/51/77/478265177.db2.gz 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478370616 /nfs/dbraw/zinc/37/06/16/478370616.db2.gz XYJLMFOHDIUBQE-UHFFFAOYSA-N -1 3 325.368 2.554 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(N4CCCC4)nn3)nc21 ZINC000522901421 478384172 /nfs/dbraw/zinc/38/41/72/478384172.db2.gz LXKHNCUZRVCRAB-ZDUSSCGKSA-N -1 3 346.394 2.752 20 30 EFEDHM CCOC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)n[n-]1 ZINC000526010198 478401486 /nfs/dbraw/zinc/40/14/86/478401486.db2.gz UPSNMYMLLHFQEQ-UHFFFAOYSA-N -1 3 326.356 2.640 20 30 EFEDHM CCOC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)[n-]n1 ZINC000526010198 478401493 /nfs/dbraw/zinc/40/14/93/478401493.db2.gz UPSNMYMLLHFQEQ-UHFFFAOYSA-N -1 3 326.356 2.640 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000491092032 478440071 /nfs/dbraw/zinc/44/00/71/478440071.db2.gz APIKJMQHIFEKNO-UHFFFAOYSA-N -1 3 325.364 2.685 20 30 EFEDHM CN1CCC(C#N)(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000539841850 478444912 /nfs/dbraw/zinc/44/49/12/478444912.db2.gz XZIKIWMSIDVEAW-UHFFFAOYSA-N -1 3 349.434 2.701 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000600668334 478459019 /nfs/dbraw/zinc/45/90/19/478459019.db2.gz OHBDKDXCXLBDEL-VIFPVBQESA-N -1 3 349.225 2.867 20 30 EFEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)CCc2c(F)cccc2F)C1 ZINC000600668977 478459369 /nfs/dbraw/zinc/45/93/69/478459369.db2.gz XDFBVWZYDVXEKD-LRDDRELGSA-N -1 3 342.411 2.899 20 30 EFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)CCc2c(F)cccc2F)C1 ZINC000600668976 478459760 /nfs/dbraw/zinc/45/97/60/478459760.db2.gz XDFBVWZYDVXEKD-BLLLJJGKSA-N -1 3 342.411 2.899 20 30 EFEDHM CCC#C[C@H](C)Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000591126483 478471694 /nfs/dbraw/zinc/47/16/94/478471694.db2.gz WGTXAQVOFOHNEU-JTQLQIEISA-N -1 3 331.397 2.719 20 30 EFEDHM C=C(C)CN1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000563205306 478480006 /nfs/dbraw/zinc/48/00/06/478480006.db2.gz UJDTVXOFKLJFQV-UHFFFAOYSA-N -1 3 333.388 2.674 20 30 EFEDHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000591260928 478502170 /nfs/dbraw/zinc/50/21/70/478502170.db2.gz IOJDBKKWQHXZEX-UHFFFAOYSA-N -1 3 343.452 2.924 20 30 EFEDHM CO[C@H](CS(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1)C1CCCC1 ZINC000594722171 478511912 /nfs/dbraw/zinc/51/19/12/478511912.db2.gz FFUANHCMBMWPLR-NUEKZKHPSA-N -1 3 328.478 2.583 20 30 EFEDHM CC(C)c1nc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)c[nH]1 ZINC000591334224 478526043 /nfs/dbraw/zinc/52/60/43/478526043.db2.gz JBZCCLFBGRQPEU-HNNXBMFYSA-N -1 3 344.440 2.761 20 30 EFEDHM COc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1OCCCC#N ZINC000600803759 478528813 /nfs/dbraw/zinc/52/88/13/478528813.db2.gz YPPSZYBYDKAUSC-HOCLYGCPSA-N -1 3 346.427 2.920 20 30 EFEDHM CC[C@](C)(O)C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594763220 478534706 /nfs/dbraw/zinc/53/47/06/478534706.db2.gz YAPXJLJQHKPULF-HNNXBMFYSA-N -1 3 338.454 2.521 20 30 EFEDHM N#C[C@H](c1cccc(Cl)c1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000582208456 478538720 /nfs/dbraw/zinc/53/87/20/478538720.db2.gz YEYIWQFQZSDJCG-QGZVFWFLSA-N -1 3 342.830 2.823 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000594794040 478542550 /nfs/dbraw/zinc/54/25/50/478542550.db2.gz IPMUGDQXNRGBEQ-BNOWGMLFSA-N -1 3 348.449 2.680 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CO[C@H](C)C1 ZINC000594794946 478542679 /nfs/dbraw/zinc/54/26/79/478542679.db2.gz MKPCGODJNMNKBG-SKDRFNHKSA-N -1 3 336.438 2.537 20 30 EFEDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000594850201 478560721 /nfs/dbraw/zinc/56/07/21/478560721.db2.gz VHHFSHJIIOFNAW-UHFFFAOYSA-N -1 3 330.837 2.695 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CC1 ZINC000594858135 478562703 /nfs/dbraw/zinc/56/27/03/478562703.db2.gz QDPDUCVVTMHGAF-LBPRGKRZSA-N -1 3 343.246 2.788 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCC1 ZINC000594863353 478565705 /nfs/dbraw/zinc/56/57/05/478565705.db2.gz INEGSZQTZIZJGC-UHFFFAOYSA-N -1 3 335.385 2.634 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(C(=O)OC)s2)CCCC1 ZINC000594865832 478565964 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Cn1[n-]ccc1=NN=C1CC[C@H]2[C@@H](CCCN2C(=O)OC(C)(C)C)C1 ZINC000496730907 478687914 /nfs/dbraw/zinc/68/79/14/478687914.db2.gz PTDVXJBGZGPGHN-ZFWWWQNUSA-N -1 3 347.463 2.810 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](CCOC(=O)c2ccc(C#N)[n-]2)C1 ZINC000496910056 478708847 /nfs/dbraw/zinc/70/88/47/478708847.db2.gz NUIVEMCLHLIYJI-GFCCVEGCSA-N -1 3 333.388 2.690 20 30 EFEDHM N#Cc1[n-]c(=NC[C@H]2CCCN(CC(F)(F)F)C2)sc1Cl ZINC000601190614 478715016 /nfs/dbraw/zinc/71/50/16/478715016.db2.gz ANDRJRSLFVXOQB-MRVPVSSYSA-N -1 3 338.786 2.776 20 30 EFEDHM COC(=O)Nc1ccc(C(=O)OCc2ccc(C#N)cc2F)cc1[O-] ZINC000491879023 478720877 /nfs/dbraw/zinc/72/08/77/478720877.db2.gz VBFPSNHGZNFSGY-UHFFFAOYSA-N -1 3 344.298 2.938 20 30 EFEDHM CC(N=Nc1cn[n-]c(=O)c1Cl)[C@@H](C)NC(=O)OC(C)(C)C ZINC000497103130 478727733 /nfs/dbraw/zinc/72/77/33/478727733.db2.gz RYJIIKOSLKAEAP-SSDOTTSWSA-N -1 3 329.788 2.537 20 30 EFEDHM C=CCO[N-]C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497281243 478747544 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Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000543687667 478765998 /nfs/dbraw/zinc/76/59/98/478765998.db2.gz MIBJPVMBPISCMQ-VIFPVBQESA-N -1 3 339.417 2.544 20 30 EFEDHM N#CCc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)c(Cl)c1 ZINC000564653558 478778532 /nfs/dbraw/zinc/77/85/32/478778532.db2.gz YUWIKWGRWRMDAF-NEPJUHHUSA-N -1 3 330.812 2.965 20 30 EFEDHM C=CCOc1ccc(/C=C/C(=O)NCc2ncccc2[O-])cc1OC ZINC000492014017 478781487 /nfs/dbraw/zinc/78/14/87/478781487.db2.gz ADOUINGFOSMALF-VQHVLOKHSA-N -1 3 340.379 2.690 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c(C(F)(F)F)c1 ZINC000583192754 478788516 /nfs/dbraw/zinc/78/85/16/478788516.db2.gz BCVNMMWUMQSMTP-SNVBAGLBSA-N -1 3 330.331 2.655 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)N(C)CC4)nc1-2 ZINC000583243029 478800305 /nfs/dbraw/zinc/80/03/05/478800305.db2.gz CUZAGAABSBGUKS-CQSZACIVSA-N -1 3 331.379 2.749 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC000601392765 478817868 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/nfs/dbraw/zinc/45/74/15/576457415.db2.gz NNUAIMYNTDTJOS-UHFFFAOYSA-O -1 3 346.432 2.661 20 30 EFEDHM Cc1ccc(-c2nc3c(s2)C(=N[N-]S(C)(=O)=O)CCC3)cc1 ZINC000764698872 576490171 /nfs/dbraw/zinc/49/01/71/576490171.db2.gz DKXMDEHWXJZKIS-UHFFFAOYSA-N -1 3 335.454 2.708 20 30 EFEDHM CS(=O)(=O)[N-]N=C1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000764701475 576490545 /nfs/dbraw/zinc/49/05/45/576490545.db2.gz ZEZNYVVWMHBNBK-UHFFFAOYSA-N -1 3 339.417 2.539 20 30 EFEDHM CCN(Cc1cc(Br)ccc1[O-])c1cc(C#N)ncn1 ZINC000764858541 576513331 /nfs/dbraw/zinc/51/33/31/576513331.db2.gz YPLRXJIMTXOYIY-UHFFFAOYSA-N -1 3 333.189 2.843 20 30 EFEDHM C=CCCC[C@@H](C)OC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000765486766 577046341 /nfs/dbraw/zinc/04/63/41/577046341.db2.gz NNWVVGNJTAEIRE-KZULUSFZSA-N -1 3 330.384 2.643 20 30 EFEDHM N#CC1([N-]S(=O)(=O)c2c(Cl)nc3sccn32)CCCCC1 ZINC000766497861 577158411 /nfs/dbraw/zinc/15/84/11/577158411.db2.gz NEWDUQNCVNIOPW-UHFFFAOYSA-N -1 3 344.849 2.554 20 30 EFEDHM COc1cc(C#N)ccc1COC(=O)c1ccc2c(C=O)n[n-]c2c1 ZINC000766919945 577188062 /nfs/dbraw/zinc/18/80/62/577188062.db2.gz DWQNRQYFUQYXBW-UHFFFAOYSA-N -1 3 335.319 2.613 20 30 EFEDHM COc1cc(C#N)ccc1COC(=O)c1ccc2c(c1)n[n-]c2C=O ZINC000766919945 577188063 /nfs/dbraw/zinc/18/80/63/577188063.db2.gz DWQNRQYFUQYXBW-UHFFFAOYSA-N -1 3 335.319 2.613 20 30 EFEDHM COc1ccc(NCc2ccc(C#N)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000767688031 577227119 /nfs/dbraw/zinc/22/71/19/577227119.db2.gz VYAAPOJVNTYUTF-UHFFFAOYSA-N -1 3 345.424 2.859 20 30 EFEDHM CCN(CC)c1ccc(C=NNC(=S)Nc2ccccn2)c([O-])c1 ZINC000767803751 577234916 /nfs/dbraw/zinc/23/49/16/577234916.db2.gz INTOYXXXQGXNMX-UHFFFAOYSA-N -1 3 343.456 2.954 20 30 EFEDHM COc1cc(C=NNC(=S)Nc2ccccn2)cc(Cl)c1[O-] ZINC000767804095 577234995 /nfs/dbraw/zinc/23/49/95/577234995.db2.gz MJWURYOXOXSBQM-UHFFFAOYSA-N -1 3 336.804 2.770 20 30 EFEDHM O=C(COC(=O)c1ccc(F)cc1C(F)(F)F)[N-]CC(F)(F)F ZINC000768098586 577254309 /nfs/dbraw/zinc/25/43/09/577254309.db2.gz CVUTUHROVCHBGM-UHFFFAOYSA-N -1 3 347.186 2.680 20 30 EFEDHM CC#CCCCCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000768125243 577255707 /nfs/dbraw/zinc/25/57/07/577255707.db2.gz NZWNDTVWXNGENR-UHFFFAOYSA-N -1 3 327.377 2.548 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441327 577273718 /nfs/dbraw/zinc/27/37/18/577273718.db2.gz YJUVXCCITNXXAR-SFHVURJKSA-N -1 3 327.355 2.593 20 30 EFEDHM COc1cccc([O-])c1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000769146863 577339097 /nfs/dbraw/zinc/33/90/97/577339097.db2.gz MZVNHSJFMFRUJS-UHFFFAOYSA-N -1 3 341.386 2.734 20 30 EFEDHM N#Cc1ccc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(Cl)c1 ZINC000769198278 577343974 /nfs/dbraw/zinc/34/39/74/577343974.db2.gz LBYWLZIZCLQPMD-UHFFFAOYSA-N -1 3 341.798 2.880 20 30 EFEDHM O=S(=O)(c1ccc(NN=Cc2ccc(O)cc2[O-])cc1)C(F)F ZINC000726426005 577365383 /nfs/dbraw/zinc/36/53/83/577365383.db2.gz FFEBQCVDPSDZJN-UHFFFAOYSA-N -1 3 342.323 2.540 20 30 EFEDHM COC(=O)c1ccc([O-])c(CN=Nc2nc(-c3ccccc3)no2)c1 ZINC000726737975 577382031 /nfs/dbraw/zinc/38/20/31/577382031.db2.gz HOCVTFIIQGIXMI-UHFFFAOYSA-N -1 3 338.323 2.675 20 30 EFEDHM COc1ccc(Br)c(C=N[N-]c2[nH+]cnc3[n-]cnc32)c1 ZINC000747753480 577392406 /nfs/dbraw/zinc/39/24/06/577392406.db2.gz OZJWSJCGYVBRTQ-UHFFFAOYSA-N -1 3 347.176 2.570 20 30 EFEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000769912215 577393348 /nfs/dbraw/zinc/39/33/48/577393348.db2.gz DTXMAYKVXUQCHI-UHFFFAOYSA-N -1 3 329.283 2.524 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000770390991 577414744 /nfs/dbraw/zinc/41/47/44/577414744.db2.gz PPELBRAXLCZCSV-JTQLQIEISA-N -1 3 346.246 2.538 20 30 EFEDHM CN(C)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1F ZINC000770099364 577402080 /nfs/dbraw/zinc/40/20/80/577402080.db2.gz MOQWRCQXFMEECW-CQSZACIVSA-N -1 3 325.343 2.853 20 30 EFEDHM C#C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000770362408 577412909 /nfs/dbraw/zinc/41/29/09/577412909.db2.gz UWZOJZOYPYDOIY-NSHDSACASA-N -1 3 327.833 2.819 20 30 EFEDHM Cc1ncc(CO)c(/C=N\CCCc2nc3c(s2)CCCC3)c1[O-] ZINC000727061624 577432346 /nfs/dbraw/zinc/43/23/46/577432346.db2.gz OBZVIDCUFRBIDV-GRSHGNNSSA-N -1 3 345.468 2.975 20 30 EFEDHM C=C(C)[C@H]1CC=C(COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)CC1 ZINC000771618778 581227415 /nfs/dbraw/zinc/22/74/15/581227415.db2.gz LSQGZCUYASBASC-LSDHHAIUSA-N -1 3 343.489 2.796 20 30 EFEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccncc2C)C1=O ZINC000771714145 581235368 /nfs/dbraw/zinc/23/53/68/581235368.db2.gz UJGLNOUSERKRRL-GOSISDBHSA-N -1 3 346.431 2.706 20 30 EFEDHM Cc1cnc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000771898439 581256222 /nfs/dbraw/zinc/25/62/22/581256222.db2.gz YTLGZICSYPAILJ-UHFFFAOYSA-N -1 3 331.397 2.717 20 30 EFEDHM COC(=O)c1cccc(COC(=O)c2c([O-])cccc2F)c1C#N ZINC000772581749 581343294 /nfs/dbraw/zinc/34/32/94/581343294.db2.gz SGCSLPWJWIQLLO-UHFFFAOYSA-N -1 3 329.283 2.547 20 30 EFEDHM N#CCCN(C(=O)COC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000772592373 581344501 /nfs/dbraw/zinc/34/45/01/581344501.db2.gz LYTZKUPHNGAXBK-UHFFFAOYSA-N -1 3 342.326 2.635 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C\c2ccc(C#N)cc2F)cc1 ZINC000772808646 581370504 /nfs/dbraw/zinc/37/05/04/581370504.db2.gz UZVNQFACWCXDAV-TWGQIWQCSA-N -1 3 344.367 2.965 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C)s1)[C@H]1CCCO1 ZINC000773047644 581390544 /nfs/dbraw/zinc/39/05/44/581390544.db2.gz DBGYDRANRIGRCG-NWDGAFQWSA-N -1 3 327.471 2.505 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CCCO1 ZINC000773054389 581391278 /nfs/dbraw/zinc/39/12/78/581391278.db2.gz KENIHKVPBPAJFA-KGLIPLIRSA-N -1 3 348.251 2.594 20 30 EFEDHM COc1c([O-])c(CN=Nc2ncnc3ccsc32)ccc1[N+](=O)[O-] ZINC000773067355 581393075 /nfs/dbraw/zinc/39/30/75/581393075.db2.gz DYFYDYNBCJBOOX-UHFFFAOYSA-N -1 3 345.340 2.760 20 30 EFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)nn1C ZINC000773978278 581476550 /nfs/dbraw/zinc/47/65/50/581476550.db2.gz AZEQZHGXJYGTTN-CQSZACIVSA-N -1 3 348.362 2.543 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCNc2ccccc21 ZINC000774375350 581490397 /nfs/dbraw/zinc/49/03/97/581490397.db2.gz SKLVCAPCIZKDQR-UHFFFAOYSA-N -1 3 329.425 2.716 20 30 EFEDHM COc1ccc([C@H](NCc2ccc(OCC#N)cc2)C(=O)[O-])cc1 ZINC000737971158 581506223 /nfs/dbraw/zinc/50/62/23/581506223.db2.gz QWVZMAYSUIXKMH-KRWDZBQOSA-N -1 3 326.352 2.513 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(Cl)s2)ccc1-c1nnn[n-]1 ZINC000737709613 598921484 /nfs/dbraw/zinc/92/14/84/598921484.db2.gz PMKHSZZPUBNKHC-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(Cl)s2)ccc1-c1nn[n-]n1 ZINC000737709613 598921486 /nfs/dbraw/zinc/92/14/86/598921486.db2.gz PMKHSZZPUBNKHC-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2CCCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737704900 598921603 /nfs/dbraw/zinc/92/16/03/598921603.db2.gz LLCLNYPFIGBKEQ-KRWDZBQOSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2CCCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737704900 598921604 /nfs/dbraw/zinc/92/16/04/598921604.db2.gz LLCLNYPFIGBKEQ-KRWDZBQOSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000737716146 598923392 /nfs/dbraw/zinc/92/33/92/598923392.db2.gz LPBOWTRHMDRKBU-GDBMZVCRSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000737716146 598923394 /nfs/dbraw/zinc/92/33/94/598923394.db2.gz LPBOWTRHMDRKBU-GDBMZVCRSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1-c1nnn[n-]1 ZINC000737717344 598925846 /nfs/dbraw/zinc/92/58/46/598925846.db2.gz CGKNIYVTBSGGKR-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1-c1nn[n-]n1 ZINC000737717344 598925848 /nfs/dbraw/zinc/92/58/48/598925848.db2.gz CGKNIYVTBSGGKR-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM Cc1ccccc1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737426343 598925925 /nfs/dbraw/zinc/92/59/25/598925925.db2.gz LHSITGYKELMMNQ-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1ccccc1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737426343 598925927 /nfs/dbraw/zinc/92/59/27/598925927.db2.gz LHSITGYKELMMNQ-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM C#CCOc1ccccc1CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000735388252 598943807 /nfs/dbraw/zinc/94/38/07/598943807.db2.gz VMKNCHFFWZDFBL-UHFFFAOYSA-N -1 3 334.383 2.503 20 30 EFEDHM C#CCOc1ccccc1CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000735388252 598943808 /nfs/dbraw/zinc/94/38/08/598943808.db2.gz VMKNCHFFWZDFBL-UHFFFAOYSA-N -1 3 334.383 2.503 20 30 EFEDHM Cc1c(C#N)cccc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822014997 607257331 /nfs/dbraw/zinc/25/73/31/607257331.db2.gz BCTFWVGNMHLIHD-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM C=CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735410236 599101385 /nfs/dbraw/zinc/10/13/85/599101385.db2.gz XYQOCBGVZKIKJZ-OAHLLOKOSA-N -1 3 335.371 2.701 20 30 EFEDHM C=CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735410236 599101387 /nfs/dbraw/zinc/10/13/87/599101387.db2.gz XYQOCBGVZKIKJZ-OAHLLOKOSA-N -1 3 335.371 2.701 20 30 EFEDHM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1(C)C ZINC000735679568 599112384 /nfs/dbraw/zinc/11/23/84/599112384.db2.gz KQMHVLZTUACNEB-LSDHHAIUSA-N -1 3 336.399 2.915 20 30 EFEDHM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1(C)C ZINC000735679568 599112388 /nfs/dbraw/zinc/11/23/88/599112388.db2.gz KQMHVLZTUACNEB-LSDHHAIUSA-N -1 3 336.399 2.915 20 30 EFEDHM COc1ccc(C=C2COc3c(C)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737081046 599155156 /nfs/dbraw/zinc/15/51/56/599155156.db2.gz AUYRRROCEGSKOG-JYRVWZFOSA-N -1 3 348.362 2.842 20 30 EFEDHM COc1ccc(C=C2COc3c(C)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737081046 599155157 /nfs/dbraw/zinc/15/51/57/599155157.db2.gz AUYRRROCEGSKOG-JYRVWZFOSA-N -1 3 348.362 2.842 20 30 EFEDHM C#CCCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819692781 599192225 /nfs/dbraw/zinc/19/22/25/599192225.db2.gz LAWPAPNBZHSHAB-UHFFFAOYSA-N -1 3 347.378 2.802 20 30 EFEDHM C#CCCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819692781 599192228 /nfs/dbraw/zinc/19/22/28/599192228.db2.gz LAWPAPNBZHSHAB-UHFFFAOYSA-N -1 3 347.378 2.802 20 30 EFEDHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736059875 599193440 /nfs/dbraw/zinc/19/34/40/599193440.db2.gz XKUBRTQFKSFRRI-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736059875 599193443 /nfs/dbraw/zinc/19/34/43/599193443.db2.gz XKUBRTQFKSFRRI-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)ccc1-c1nnn[n-]1 ZINC000737703265 599197681 /nfs/dbraw/zinc/19/76/81/599197681.db2.gz AXEAGGZUYOJAJN-HOTGVXAUSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)ccc1-c1nn[n-]n1 ZINC000737703265 599197684 /nfs/dbraw/zinc/19/76/84/599197684.db2.gz AXEAGGZUYOJAJN-HOTGVXAUSA-N -1 3 336.399 2.893 20 30 EFEDHM C=CC[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000735410102 599217640 /nfs/dbraw/zinc/21/76/40/599217640.db2.gz UHIRSYPLYZCMOK-NSHDSACASA-N -1 3 330.392 2.740 20 30 EFEDHM C=CC[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000735410102 599217641 /nfs/dbraw/zinc/21/76/41/599217641.db2.gz UHIRSYPLYZCMOK-NSHDSACASA-N -1 3 330.392 2.740 20 30 EFEDHM Cc1c(NC(=O)CCc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC000822066535 607269661 /nfs/dbraw/zinc/26/96/61/607269661.db2.gz FXAKYWLNKHYUTP-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1c(NC(=O)CCc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC000822066535 607269662 /nfs/dbraw/zinc/26/96/62/607269662.db2.gz FXAKYWLNKHYUTP-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000817733515 597084967 /nfs/dbraw/zinc/08/49/67/597084967.db2.gz DTYVJMGJABGKQP-HZPDHXFCSA-N -1 3 343.427 2.508 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000736816924 599269394 /nfs/dbraw/zinc/26/93/94/599269394.db2.gz PGIHBNYDCOYQCX-UHFFFAOYSA-N -1 3 341.378 2.923 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000736816924 599269396 /nfs/dbraw/zinc/26/93/96/599269396.db2.gz PGIHBNYDCOYQCX-UHFFFAOYSA-N -1 3 341.378 2.923 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000736095006 598028485 /nfs/dbraw/zinc/02/84/85/598028485.db2.gz CYUIELWTIMHYFL-UHFFFAOYSA-N -1 3 335.379 2.686 20 30 EFEDHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2ccc(C#N)cc2)n1 ZINC000737472278 599290525 /nfs/dbraw/zinc/29/05/25/599290525.db2.gz YMMNAVCYIADUQK-SNVBAGLBSA-N -1 3 337.412 2.999 20 30 EFEDHM C=CCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735431599 598266676 /nfs/dbraw/zinc/26/66/76/598266676.db2.gz FONPBRQEIKYFLM-UHFFFAOYSA-N -1 3 336.355 2.967 20 30 EFEDHM C=CCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735431599 598266677 /nfs/dbraw/zinc/26/66/77/598266677.db2.gz FONPBRQEIKYFLM-UHFFFAOYSA-N -1 3 336.355 2.967 20 30 EFEDHM C#CCn1c(C)csc1=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735387914 598313414 /nfs/dbraw/zinc/31/34/14/598313414.db2.gz KTJPMQOLJZVSFV-UHFFFAOYSA-N -1 3 330.804 2.557 20 30 EFEDHM C#CCn1c(C)csc1=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735387914 598313416 /nfs/dbraw/zinc/31/34/16/598313416.db2.gz KTJPMQOLJZVSFV-UHFFFAOYSA-N -1 3 330.804 2.557 20 30 EFEDHM FC(F)(F)c1cc(NN=Cc2cccnc2)ccc1-c1nnn[n-]1 ZINC000737633430 598314713 /nfs/dbraw/zinc/31/47/13/598314713.db2.gz RDJRIZSSUYEOMF-UHFFFAOYSA-N -1 3 333.277 2.727 20 30 EFEDHM FC(F)(F)c1cc(NN=Cc2cccnc2)ccc1-c1nn[n-]n1 ZINC000737633430 598314715 /nfs/dbraw/zinc/31/47/15/598314715.db2.gz RDJRIZSSUYEOMF-UHFFFAOYSA-N -1 3 333.277 2.727 20 30 EFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000737806329 598502844 /nfs/dbraw/zinc/50/28/44/598502844.db2.gz FORTYLBRMQTWDB-PLNGDYQASA-N -1 3 348.288 2.522 20 30 EFEDHM O=C(C=Cc1nccn1CC(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000737806329 598502845 /nfs/dbraw/zinc/50/28/45/598502845.db2.gz FORTYLBRMQTWDB-PLNGDYQASA-N -1 3 348.288 2.522 20 30 EFEDHM N#Cc1cc(NCCCOc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737708738 598602481 /nfs/dbraw/zinc/60/24/81/598602481.db2.gz GFPXCCIAUOZYAB-UHFFFAOYSA-N -1 3 338.346 2.758 20 30 EFEDHM C=CCNc1nnc(SCc2ccc(F)cc2-c2nnn[n-]2)s1 ZINC000735432756 598642695 /nfs/dbraw/zinc/64/26/95/598642695.db2.gz VGWKQKVRXSUUFE-UHFFFAOYSA-N -1 3 349.420 2.748 20 30 EFEDHM C=CCNc1nnc(SCc2ccc(F)cc2-c2nn[n-]n2)s1 ZINC000735432756 598642697 /nfs/dbraw/zinc/64/26/97/598642697.db2.gz VGWKQKVRXSUUFE-UHFFFAOYSA-N -1 3 349.420 2.748 20 30 EFEDHM Cc1ccc2c(c1)CC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737375940 599463878 /nfs/dbraw/zinc/46/38/78/599463878.db2.gz GDSSBZROXNJNQX-ZSOIEALJSA-N -1 3 342.362 2.645 20 30 EFEDHM Cc1ccc2c(c1)CC(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000737375940 599463881 /nfs/dbraw/zinc/46/38/81/599463881.db2.gz GDSSBZROXNJNQX-ZSOIEALJSA-N -1 3 342.362 2.645 20 30 EFEDHM N#CCSCCCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000822815594 599690008 /nfs/dbraw/zinc/69/00/08/599690008.db2.gz UJCVKRUJKUTUQZ-UHFFFAOYSA-N -1 3 346.485 2.879 20 30 EFEDHM N#CCSCCCSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000822815594 599690009 /nfs/dbraw/zinc/69/00/09/599690009.db2.gz UJCVKRUJKUTUQZ-UHFFFAOYSA-N -1 3 346.485 2.879 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000826251678 607399831 /nfs/dbraw/zinc/39/98/31/607399831.db2.gz XMVUXADGMHZWQA-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000826251678 607399833 /nfs/dbraw/zinc/39/98/33/607399833.db2.gz XMVUXADGMHZWQA-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM N#Cc1ccccc1OCCN(CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739146490 599864298 /nfs/dbraw/zinc/86/42/98/599864298.db2.gz GCEDHVJFHRGKFX-UHFFFAOYSA-N -1 3 346.333 2.802 20 30 EFEDHM C=CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000819733874 607404671 /nfs/dbraw/zinc/40/46/71/607404671.db2.gz DJZOKWMZVJCTJZ-HNNXBMFYSA-N -1 3 334.383 2.699 20 30 EFEDHM C=CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000819733874 607404673 /nfs/dbraw/zinc/40/46/73/607404673.db2.gz DJZOKWMZVJCTJZ-HNNXBMFYSA-N -1 3 334.383 2.699 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000736095454 599983308 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EFEDHM C[C@H](C#N)Oc1ccc(CNCc2cccc(OCC(=O)[O-])c2)cc1 ZINC000736200214 600639819 /nfs/dbraw/zinc/63/98/19/600639819.db2.gz AIWGEJDNUIDNJI-CQSZACIVSA-N -1 3 340.379 2.731 20 30 EFEDHM COc1cccc2c1CC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821877410 607459564 /nfs/dbraw/zinc/45/95/64/607459564.db2.gz IXUNMJPVUJREAS-KPKJPENVSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc2c1CC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821877410 607459565 /nfs/dbraw/zinc/45/95/65/607459565.db2.gz IXUNMJPVUJREAS-KPKJPENVSA-N -1 3 336.326 2.837 20 30 EFEDHM Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000832970392 601236568 /nfs/dbraw/zinc/23/65/68/601236568.db2.gz JAYMZHYPFGXKDG-KCQAQPDRSA-N -1 3 328.368 2.533 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064593 601237028 /nfs/dbraw/zinc/23/70/28/601237028.db2.gz SSAGJKZMNGOKBV-UTUOFQBUSA-N -1 3 348.786 2.878 20 30 EFEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000827717919 601300228 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SHQHKSPDJBNUJK-GOSISDBHSA-N -1 3 338.415 2.768 20 30 EFEDHM CC(=O)N1CC[C@@H](N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21 ZINC000833393182 604631540 /nfs/dbraw/zinc/63/15/40/604631540.db2.gz HKVQOTBOILQGSF-MJGOQNOKSA-N -1 3 349.390 2.771 20 30 EFEDHM C=CCc1cc(CNCc2ccc(C(=O)[O-])[nH]2)cc(OC)c1OC ZINC000833379679 605113758 /nfs/dbraw/zinc/11/37/58/605113758.db2.gz KAHNXHRWZIRQOG-UHFFFAOYSA-N -1 3 330.384 2.748 20 30 EFEDHM C=CCN1CCC(NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CC1 ZINC000833377187 605283674 /nfs/dbraw/zinc/28/36/74/605283674.db2.gz PXVNTXYBGKTANH-UHFFFAOYSA-N -1 3 336.367 2.688 20 30 EFEDHM CC1=C(C(=O)[O-])C[C@@H](CN2CCC(Oc3cccc(C#N)c3)CC2)O1 ZINC000833583749 605333316 /nfs/dbraw/zinc/33/33/16/605333316.db2.gz KAHVXARRBQLNEP-KRWDZBQOSA-N -1 3 342.395 2.549 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)C2 ZINC000821849541 606154347 /nfs/dbraw/zinc/15/43/47/606154347.db2.gz LSKWUPGXYGHYOD-QPEQYQDCSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)C2 ZINC000821849541 606154348 /nfs/dbraw/zinc/15/43/48/606154348.db2.gz LSKWUPGXYGHYOD-QPEQYQDCSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c(F)c1 ZINC000821769824 606302040 /nfs/dbraw/zinc/30/20/40/606302040.db2.gz KYONWEHTZNTBGA-HYXAFXHYSA-N -1 3 330.344 2.972 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c(F)c1 ZINC000821769824 606302042 /nfs/dbraw/zinc/30/20/42/606302042.db2.gz KYONWEHTZNTBGA-HYXAFXHYSA-N -1 3 330.344 2.972 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822814970 606304364 /nfs/dbraw/zinc/30/43/64/606304364.db2.gz MGIFQLAMSYLUAP-WAYWQWQTSA-N -1 3 337.364 2.727 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822814970 606304366 /nfs/dbraw/zinc/30/43/66/606304366.db2.gz MGIFQLAMSYLUAP-WAYWQWQTSA-N -1 3 337.364 2.727 20 30 EFEDHM C=CCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC000819734988 606334982 /nfs/dbraw/zinc/33/49/82/606334982.db2.gz 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606675471 /nfs/dbraw/zinc/67/54/71/606675471.db2.gz SCVSKIVOQBKCBQ-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822225208 606675472 /nfs/dbraw/zinc/67/54/72/606675472.db2.gz SCVSKIVOQBKCBQ-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1C ZINC000819773583 606765808 /nfs/dbraw/zinc/76/58/08/606765808.db2.gz VQJBZMZYFFYTDK-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM C=C[C@H](C)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819729777 606813418 /nfs/dbraw/zinc/81/34/18/606813418.db2.gz MPAKVUREBVXAIW-ZDUSSCGKSA-N -1 3 349.394 2.750 20 30 EFEDHM C=C[C@H](C)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000819729777 606813419 /nfs/dbraw/zinc/81/34/19/606813419.db2.gz MPAKVUREBVXAIW-ZDUSSCGKSA-N -1 3 349.394 2.750 20 30 EFEDHM C=C[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819729839 606813615 /nfs/dbraw/zinc/81/36/15/606813615.db2.gz NLBIUWXWRYLUCV-LBPRGKRZSA-N -1 3 335.367 2.963 20 30 EFEDHM C=C[C@H](C)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819729839 606813617 /nfs/dbraw/zinc/81/36/17/606813617.db2.gz NLBIUWXWRYLUCV-LBPRGKRZSA-N -1 3 335.367 2.963 20 30 EFEDHM N#Cc1cccc(OCCCSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822837891 606837878 /nfs/dbraw/zinc/83/78/78/606837878.db2.gz XGHBFPPVAPUEAZ-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1cccc(OCCCSc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822837891 606837880 /nfs/dbraw/zinc/83/78/80/606837880.db2.gz XGHBFPPVAPUEAZ-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1ccc(OCCCOc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000822832540 606839988 /nfs/dbraw/zinc/83/99/88/606839988.db2.gz CGQUXPJOVHTVNB-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1ccc(OCCCOc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000822832540 606839990 /nfs/dbraw/zinc/83/99/90/606839990.db2.gz CGQUXPJOVHTVNB-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM CCC(CC)CN(CCC#N)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820892947 606906903 /nfs/dbraw/zinc/90/69/03/606906903.db2.gz HFQLIRFKVNQUQB-QGZVFWFLSA-N -1 3 342.447 2.552 20 30 EFEDHM Cc1cc(Cl)cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000822202236 606958002 /nfs/dbraw/zinc/95/80/02/606958002.db2.gz RJROIPYHLLBJGH-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(Cl)cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000822202236 606958003 /nfs/dbraw/zinc/95/80/03/606958003.db2.gz RJROIPYHLLBJGH-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(F)c(C#N)c1 ZINC000821394421 607006939 /nfs/dbraw/zinc/00/69/39/607006939.db2.gz JUQBLSJLUXDATC-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(F)c(C#N)c1 ZINC000821394421 607006940 /nfs/dbraw/zinc/00/69/40/607006940.db2.gz JUQBLSJLUXDATC-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM N#Cc1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826386180 607872535 /nfs/dbraw/zinc/87/25/35/607872535.db2.gz SLLIIAZKCJUEPT-CQSZACIVSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826386180 607872536 /nfs/dbraw/zinc/87/25/36/607872536.db2.gz SLLIIAZKCJUEPT-CQSZACIVSA-N -1 3 341.758 2.504 20 30 EFEDHM C=C(C)[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC)OCC ZINC000823873092 607921041 /nfs/dbraw/zinc/92/10/41/607921041.db2.gz IBZINJZZRXZPOG-CQSZACIVSA-N -1 3 346.387 2.542 20 30 EFEDHM C=C(C)[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC)OCC ZINC000823873092 607921042 /nfs/dbraw/zinc/92/10/42/607921042.db2.gz IBZINJZZRXZPOG-CQSZACIVSA-N -1 3 346.387 2.542 20 30 EFEDHM C=CCOc1ccccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000823931983 607947017 /nfs/dbraw/zinc/94/70/17/607947017.db2.gz JSRSIZBXEKRFSR-UHFFFAOYSA-N -1 3 347.378 2.634 20 30 EFEDHM C=CCOc1ccccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000823931983 607947018 /nfs/dbraw/zinc/94/70/18/607947018.db2.gz JSRSIZBXEKRFSR-UHFFFAOYSA-N -1 3 347.378 2.634 20 30 EFEDHM COc1ccc(CSCc2ccnc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826208019 607984086 /nfs/dbraw/zinc/98/40/86/607984086.db2.gz PEVWJGQFEGLODN-UHFFFAOYSA-N -1 3 338.396 2.575 20 30 EFEDHM COc1ccc(CSCc2ccnc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826208019 607984087 /nfs/dbraw/zinc/98/40/87/607984087.db2.gz PEVWJGQFEGLODN-UHFFFAOYSA-N -1 3 338.396 2.575 20 30 EFEDHM FC(F)(F)c1cccnc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826369346 608229455 /nfs/dbraw/zinc/22/94/55/608229455.db2.gz YNBWHRVGHJQZMR-UHFFFAOYSA-N -1 3 333.277 2.727 20 30 EFEDHM FC(F)(F)c1cccnc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826369346 608229457 /nfs/dbraw/zinc/22/94/57/608229457.db2.gz YNBWHRVGHJQZMR-UHFFFAOYSA-N -1 3 333.277 2.727 20 30 EFEDHM N#C[C@@H](COC(=O)c1cc(-c2nnn[n-]2)cs1)Cc1cccs1 ZINC000826380213 608276223 /nfs/dbraw/zinc/27/62/23/608276223.db2.gz RHXQOAIYKARUCU-VIFPVBQESA-N -1 3 345.409 2.529 20 30 EFEDHM N#C[C@@H](COC(=O)c1cc(-c2nn[n-]n2)cs1)Cc1cccs1 ZINC000826380213 608276224 /nfs/dbraw/zinc/27/62/24/608276224.db2.gz RHXQOAIYKARUCU-VIFPVBQESA-N -1 3 345.409 2.529 20 30 EFEDHM C=CCOCCCC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823925930 608341508 /nfs/dbraw/zinc/34/15/08/608341508.db2.gz RLYGPNMMHNFFEO-UHFFFAOYSA-N -1 3 349.822 2.856 20 30 EFEDHM C=CCOCCCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823925930 608341510 /nfs/dbraw/zinc/34/15/10/608341510.db2.gz RLYGPNMMHNFFEO-UHFFFAOYSA-N -1 3 349.822 2.856 20 30 EFEDHM N#Cc1cccc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1F ZINC000826386902 608440148 /nfs/dbraw/zinc/44/01/48/608440148.db2.gz XTPWEPVCJMJCLX-CMDGGOBGSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1cccc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1F ZINC000826386902 608440150 /nfs/dbraw/zinc/44/01/50/608440150.db2.gz XTPWEPVCJMJCLX-CMDGGOBGSA-N -1 3 349.325 2.634 20 30 EFEDHM Fc1cccc(F)c1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826377018 608537938 /nfs/dbraw/zinc/53/79/38/608537938.db2.gz ASOHEPBKBNTZMQ-UHFFFAOYSA-N -1 3 335.705 2.639 20 30 EFEDHM Fc1cccc(F)c1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826377018 608537939 /nfs/dbraw/zinc/53/79/39/608537939.db2.gz ASOHEPBKBNTZMQ-UHFFFAOYSA-N -1 3 335.705 2.639 20 30 EFEDHM CC1(C)CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C(C)(C)O1 ZINC000824791008 608538719 /nfs/dbraw/zinc/53/87/19/608538719.db2.gz VIKJQONPZVZEJZ-UHFFFAOYSA-N -1 3 335.799 2.661 20 30 EFEDHM CC1(C)CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C(C)(C)O1 ZINC000824791008 608538720 /nfs/dbraw/zinc/53/87/20/608538720.db2.gz VIKJQONPZVZEJZ-UHFFFAOYSA-N -1 3 335.799 2.661 20 30 EFEDHM Cc1cccc(C)c1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826296786 608539011 /nfs/dbraw/zinc/53/90/11/608539011.db2.gz JALKNNSACSMXGV-UHFFFAOYSA-N -1 3 327.779 2.978 20 30 EFEDHM Cc1cccc(C)c1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826296786 608539012 /nfs/dbraw/zinc/53/90/12/608539012.db2.gz JALKNNSACSMXGV-UHFFFAOYSA-N -1 3 327.779 2.978 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)ccc1Cl ZINC000826383889 608577442 /nfs/dbraw/zinc/57/74/42/608577442.db2.gz WIUMGRCJNNOYJO-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)ccc1Cl ZINC000826383889 608577444 /nfs/dbraw/zinc/57/74/44/608577444.db2.gz WIUMGRCJNNOYJO-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000826212722 608879298 /nfs/dbraw/zinc/87/92/98/608879298.db2.gz ZMDLEVLZOVYWRB-SDQBBNPISA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000826212722 608879300 /nfs/dbraw/zinc/87/93/00/608879300.db2.gz ZMDLEVLZOVYWRB-SDQBBNPISA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc2c(c1)OC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826213505 608879478 /nfs/dbraw/zinc/87/94/78/608879478.db2.gz ZBQMOQBLBWAVNU-VIZOYTHASA-N -1 3 338.298 2.631 20 30 EFEDHM COc1ccc2c(c1)OC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826213505 608879479 /nfs/dbraw/zinc/87/94/79/608879479.db2.gz ZBQMOQBLBWAVNU-VIZOYTHASA-N -1 3 338.298 2.631 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC000826190479 609271966 /nfs/dbraw/zinc/27/19/66/609271966.db2.gz COJRDVCGNFLMEA-ZZXKWVIFSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC000826190479 609271968 /nfs/dbraw/zinc/27/19/68/609271968.db2.gz COJRDVCGNFLMEA-ZZXKWVIFSA-N -1 3 349.325 2.782 20 30 EFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000826384386 609272457 /nfs/dbraw/zinc/27/24/57/609272457.db2.gz SQKUHNNRRNJWCB-ZZXKWVIFSA-N -1 3 337.289 2.913 20 30 EFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000826384386 609272459 /nfs/dbraw/zinc/27/24/59/609272459.db2.gz SQKUHNNRRNJWCB-ZZXKWVIFSA-N -1 3 337.289 2.913 20 30 EFEDHM C[C@H](NCc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000824612006 609335127 /nfs/dbraw/zinc/33/51/27/609335127.db2.gz HSFIDDSHKCQCPV-JTQLQIEISA-N -1 3 340.337 2.867 20 30 EFEDHM C[C@H](NCc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000824612006 609335128 /nfs/dbraw/zinc/33/51/28/609335128.db2.gz HSFIDDSHKCQCPV-JTQLQIEISA-N -1 3 340.337 2.867 20 30 EFEDHM C=C1CCN(Cc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000823883207 609361153 /nfs/dbraw/zinc/36/11/53/609361153.db2.gz KSQNAVFGGGQHSY-UHFFFAOYSA-N -1 3 334.221 2.781 20 30 EFEDHM C=C1CCN(Cc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000823883207 609361156 /nfs/dbraw/zinc/36/11/56/609361156.db2.gz KSQNAVFGGGQHSY-UHFFFAOYSA-N -1 3 334.221 2.781 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccnc(Cl)c1 ZINC000826400396 609443031 /nfs/dbraw/zinc/44/30/31/609443031.db2.gz YIICQJQKTYDCAS-ARJAWSKDSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccnc(Cl)c1 ZINC000826400396 609443032 /nfs/dbraw/zinc/44/30/32/609443032.db2.gz YIICQJQKTYDCAS-ARJAWSKDSA-N -1 3 329.722 2.950 20 30 EFEDHM COc1c(O)cccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826166980 609470708 /nfs/dbraw/zinc/47/07/08/609470708.db2.gz KISMEFCRAIIDQD-UHFFFAOYSA-N -1 3 344.762 2.680 20 30 EFEDHM COc1c(O)cccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826166980 609470710 /nfs/dbraw/zinc/47/07/10/609470710.db2.gz KISMEFCRAIIDQD-UHFFFAOYSA-N -1 3 344.762 2.680 20 30 EFEDHM O=[N+]([O-])c1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826500192 609472529 /nfs/dbraw/zinc/47/25/29/609472529.db2.gz NZCWSTPTLLPRAW-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM O=[N+]([O-])c1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826500192 609472532 /nfs/dbraw/zinc/47/25/32/609472532.db2.gz NZCWSTPTLLPRAW-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM COCc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000826164188 609474100 /nfs/dbraw/zinc/47/41/00/609474100.db2.gz GMTIRWUDTQTESH-UHFFFAOYSA-N -1 3 332.751 2.706 20 30 EFEDHM COCc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000826164188 609474102 /nfs/dbraw/zinc/47/41/02/609474102.db2.gz GMTIRWUDTQTESH-UHFFFAOYSA-N -1 3 332.751 2.706 20 30 EFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)cs1 ZINC000825632253 609477223 /nfs/dbraw/zinc/47/72/23/609477223.db2.gz MWUFFFOPILUDLH-UHFFFAOYSA-N -1 3 326.385 2.811 20 30 EFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)cs1 ZINC000825632253 609477226 /nfs/dbraw/zinc/47/72/26/609477226.db2.gz MWUFFFOPILUDLH-UHFFFAOYSA-N -1 3 326.385 2.811 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC[C@@H]1C ZINC000823909460 609498444 /nfs/dbraw/zinc/49/84/44/609498444.db2.gz FFYGUYULFQIATK-XJKSGUPXSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC[C@@H]1C ZINC000823909460 609498445 /nfs/dbraw/zinc/49/84/45/609498445.db2.gz FFYGUYULFQIATK-XJKSGUPXSA-N -1 3 325.416 2.818 20 30 EFEDHM C#CCCCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC000823840749 609510159 /nfs/dbraw/zinc/51/01/59/609510159.db2.gz DPEBFAWBWMJJKC-UHFFFAOYSA-N -1 3 328.372 2.755 20 30 EFEDHM C#CCCCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC000823840749 609510160 /nfs/dbraw/zinc/51/01/60/609510160.db2.gz DPEBFAWBWMJJKC-UHFFFAOYSA-N -1 3 328.372 2.755 20 30 EFEDHM C[C@H](CC(C)(C)C#N)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000851207878 1250865103 /nfs/dbraw/zinc/86/51/03/1250865103.db2.gz IYHOGAAEPQXMKO-SNVBAGLBSA-N -1 3 342.392 2.682 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CCCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000943512888 1253083667 /nfs/dbraw/zinc/08/36/67/1253083667.db2.gz VLFPDTXBDQZTLP-HNNXBMFYSA-N -1 3 342.439 2.859 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)c3ccccc3[O-])[C@H](C)C2)C1 ZINC000945508197 1253409117 /nfs/dbraw/zinc/40/91/17/1253409117.db2.gz FXHIMDZNQSEMLS-GDBMZVCRSA-N -1 3 342.439 2.715 20 30 EFEDHM C[C@@H](Nc1ncccc1C#N)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065656079 1265912685 /nfs/dbraw/zinc/91/26/85/1265912685.db2.gz WTZAISSOIOBYHX-HIFRSBDPSA-N -1 3 336.395 2.622 20 30 EFEDHM C[C@H](Nc1ccc(C#N)cn1)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065656758 1265913536 /nfs/dbraw/zinc/91/35/36/1265913536.db2.gz JXXSDOCASBAIQF-DZGCQCFKSA-N -1 3 336.395 2.622 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CCC[C@H]2CNC(=O)c2ccccc2[O-])C1 ZINC000946305215 1258304758 /nfs/dbraw/zinc/30/47/58/1258304758.db2.gz UWGYSAQFHOQELN-HOCLYGCPSA-N -1 3 342.439 2.763 20 30 EFEDHM C#CCCCCC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065864974 1266244226 /nfs/dbraw/zinc/24/42/26/1266244226.db2.gz OAGWGUKWLXEZQL-MRXNPFEDSA-N -1 3 342.439 2.697 20 30 EFEDHM CC#CCCCC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001062311397 1260402305 /nfs/dbraw/zinc/40/23/05/1260402305.db2.gz SWBYQZRDQOQNLJ-MRXNPFEDSA-N -1 3 342.439 2.697 20 30 EFEDHM C=CCCC(=O)N1CCC[C@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC001078830679 1262398354 /nfs/dbraw/zinc/39/83/54/1262398354.db2.gz CTNHYLNQVVDZHS-HNNXBMFYSA-N -1 3 330.428 2.812 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCC[C@@H](NC(=O)c3ccccc3[O-])C2)nc1 ZINC001061047941 1262820405 /nfs/dbraw/zinc/82/04/05/1262820405.db2.gz NSKOSBPBNDTYQW-HUUCEWRRSA-N -1 3 336.395 2.812 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCC[C@H](NC(=O)c3ccccc3[O-])C2)cn1 ZINC001061048304 1262826993 /nfs/dbraw/zinc/82/69/93/1262826993.db2.gz SLTCWOCFLSTHNC-KGLIPLIRSA-N -1 3 336.395 2.812 20 30 EFEDHM C=CCCCC(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001082260195 1263022468 /nfs/dbraw/zinc/02/24/68/1263022468.db2.gz MZKAIQYUZRJJLQ-HNNXBMFYSA-N -1 3 330.428 2.859 20 30 EFEDHM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(F)ccc(F)c1[O-] ZINC001273206404 1263290253 /nfs/dbraw/zinc/29/02/53/1263290253.db2.gz LEYKPEQFBHABOG-HZPDHXFCSA-N -1 3 349.381 2.539 20 30 EFEDHM N#Cc1ccccc1CN1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001084196709 1263697319 /nfs/dbraw/zinc/69/73/19/1263697319.db2.gz SKIVBUZKLFIHFN-IEBWSBKVSA-N -1 3 347.418 2.610 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000730996420 1264509557 /nfs/dbraw/zinc/50/95/57/1264509557.db2.gz OYMFXEAFTLSESB-UHFFFAOYSA-N -1 3 347.392 2.517 20 30 EFEDHM C#CCOc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000733203448 1265110646 /nfs/dbraw/zinc/11/06/46/1265110646.db2.gz KDDAWCPESCOWPF-UHFFFAOYSA-N -1 3 342.420 2.542 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(C(C)C)n1 ZINC000733678858 1265350167 /nfs/dbraw/zinc/35/01/67/1265350167.db2.gz LVTQYZIUZXZVSQ-ZDUSSCGKSA-N -1 3 340.383 2.824 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C#N)C2CCCCC2)cc1 ZINC000734511428 1266998657 /nfs/dbraw/zinc/99/86/57/1266998657.db2.gz ZCESNSXKVMSFDF-OAHLLOKOSA-N -1 3 336.413 2.687 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001004520698 1267210076 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C=CCn1cc(CN[C@@H](C)c2ccc(Br)cc2[O-])nn1 ZINC000818348005 1276508701 /nfs/dbraw/zinc/50/87/01/1276508701.db2.gz XXEWIJXSLFYNSQ-JTQLQIEISA-N -1 3 337.221 2.783 20 30 EFEDHM CC1(C)CC[C@H](C(=O)N[C@@H]2CCN([O-])C2=O)[C@H](c2ccccc2)C1 ZINC000820128576 1277039616 /nfs/dbraw/zinc/03/96/16/1277039616.db2.gz YZKMIXLSJZFAHY-HRCADAONSA-N -1 3 330.428 2.703 20 30 EFEDHM CC(=NNCCN1CCCCC1)c1ccc([O-])c(Br)c1 ZINC000844577688 1279098133 /nfs/dbraw/zinc/09/81/33/1279098133.db2.gz OAPZUJBJTBVXEZ-UHFFFAOYSA-N -1 3 340.265 2.954 20 30 EFEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)c1ccco1 ZINC000790042157 1277178878 /nfs/dbraw/zinc/17/88/78/1277178878.db2.gz WXOCMVXACKMVRX-MRXNPFEDSA-N -1 3 348.424 2.847 20 30 EFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)n1C1CCCCC1 ZINC000820471000 1277186053 /nfs/dbraw/zinc/18/60/53/1277186053.db2.gz KOCIKLJVCHFQTN-MRXNPFEDSA-N -1 3 333.432 2.720 20 30 EFEDHM C/C(=C/C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000820476499 1277188074 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CC(C)(C)OC(=O)NCC(C)(C)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001145080403 1280716448 /nfs/dbraw/zinc/71/64/48/1280716448.db2.gz KAVYFYDJCYOKAD-UHFFFAOYSA-N -1 3 333.388 2.753 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CCCSC1 ZINC000806050352 1280958093 /nfs/dbraw/zinc/95/80/93/1280958093.db2.gz SJCQDLAPTVWDBV-CYBMUJFWSA-N -1 3 334.441 2.895 20 30 EFEDHM O=C1NCCCN1c1cc(N=Cc2ccc(O)c([O-])c2O)ccc1F ZINC000806549935 1281082246 /nfs/dbraw/zinc/08/22/46/1281082246.db2.gz CLDLSZMXJHGHSD-UHFFFAOYSA-N -1 3 345.330 2.613 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(C)nc2)c(C)c1[O-] ZINC001147168234 1281112057 /nfs/dbraw/zinc/11/20/57/1281112057.db2.gz VIFSXWDKJOTTNV-UHFFFAOYSA-N -1 3 339.351 2.705 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2cccc(C)n2)c(C)c1[O-] ZINC001147215384 1281127402 /nfs/dbraw/zinc/12/74/02/1281127402.db2.gz YTVAOSJTSJMSSV-UHFFFAOYSA-N -1 3 339.351 2.705 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(C)cn2)c(C)c1[O-] ZINC001147452845 1281185293 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CC[C@@H]([N-]S(=O)(=O)c1ncc(F)cc1F)c1cccc(C#N)c1 ZINC001190209698 1292068392 /nfs/dbraw/zinc/06/83/92/1292068392.db2.gz UVWUJODQTUQKKU-CQSZACIVSA-N -1 3 337.351 2.661 20 30 EFEDHM O=C(Nc1cc(Cl)c(Cl)cc1F)N[C@@H]1CCCN([O-])C1=O ZINC000879467558 1292148329 /nfs/dbraw/zinc/14/83/29/1292148329.db2.gz GUGMXCLQOHWQHO-SECBINFHSA-N -1 3 336.150 2.634 20 30 EFEDHM Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc([O-])c(C#N)c2)c1Cl ZINC001190536620 1292209474 /nfs/dbraw/zinc/20/94/74/1292209474.db2.gz ZHJGPFDKZYQVCO-UHFFFAOYSA-N -1 3 344.680 2.922 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c[nH]c(=O)c3ccccc23)c1 ZINC001190617876 1292227779 /nfs/dbraw/zinc/22/77/79/1292227779.db2.gz UQFLXHPZKBJPQL-UHFFFAOYSA-N -1 3 343.339 2.752 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)cnc2Cl)c1 ZINC001190617974 1292227910 /nfs/dbraw/zinc/22/79/10/1292227910.db2.gz XHMDCISISHJECA-UHFFFAOYSA-N -1 3 329.715 2.686 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(F)cc(Cl)c2)c1 ZINC001190611464 1292248639 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N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCc3ccccc3C2)c1 ZINC001190677101 1292282592 /nfs/dbraw/zinc/28/25/92/1292282592.db2.gz ISOWUQSACYBXPZ-CQSZACIVSA-N -1 3 344.411 2.781 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc3cccnc32)c1 ZINC001190676395 1292282826 /nfs/dbraw/zinc/28/28/26/1292282826.db2.gz CDKRDBHBPXYDQY-UHFFFAOYSA-N -1 3 341.367 2.724 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc3C2)c1 ZINC001190681611 1292283486 /nfs/dbraw/zinc/28/34/86/1292283486.db2.gz LASCSFLUFIGFRN-HNNXBMFYSA-N -1 3 348.374 2.672 20 30 EFEDHM C=CCC1(S(=O)(=O)NCc2cc(Cl)c([O-])c(OC)c2)CC1 ZINC001190835856 1292335553 /nfs/dbraw/zinc/33/55/53/1292335553.db2.gz BUMILOOTLRDTQD-UHFFFAOYSA-N -1 3 331.821 2.582 20 30 EFEDHM N#Cc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)c([O-])c1 ZINC001233385712 1312919847 /nfs/dbraw/zinc/91/98/47/1312919847.db2.gz RDJLZIHPNQNCJX-UHFFFAOYSA-N -1 3 334.379 2.727 20 30 EFEDHM N#Cc1ccc(CN2CCN(Cc3ccccc3F)CC2)c([O-])c1 ZINC001233386150 1312920109 /nfs/dbraw/zinc/92/01/09/1312920109.db2.gz IBEYUTGCAQSUCH-UHFFFAOYSA-N -1 3 325.387 2.721 20 30 EFEDHM N#Cc1ccc(CN2CCN(c3nccc4occc43)CC2)c([O-])c1 ZINC001233386323 1312920523 /nfs/dbraw/zinc/92/05/23/1312920523.db2.gz PDCYJLSYMNZNCH-UHFFFAOYSA-N -1 3 334.379 2.727 20 30 EFEDHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1ccc(C#N)cc1[O-] ZINC001233388307 1312921620 /nfs/dbraw/zinc/92/16/20/1312921620.db2.gz URLNEDSTHRQROO-OAHLLOKOSA-N -1 3 335.407 2.610 20 30 EFEDHM Cc1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(Cl)n1 ZINC001190937764 1292378345 /nfs/dbraw/zinc/37/83/45/1292378345.db2.gz UTTLUTLABNGECS-UHFFFAOYSA-N -1 3 343.195 2.764 20 30 EFEDHM C=CCOC(=O)N[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001233397380 1312924069 /nfs/dbraw/zinc/92/40/69/1312924069.db2.gz XSPBNKCLRLKNCV-NSHDSACASA-N -1 3 326.343 2.547 20 30 EFEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001233397379 1312924405 /nfs/dbraw/zinc/92/44/05/1312924405.db2.gz XSPBNKCLRLKNCV-LLVKDONJSA-N -1 3 326.343 2.547 20 30 EFEDHM C#Cc1ccccc1C(=O)Nc1c(C)c([O-])c(C(=O)OCC)cc1C#N ZINC001191116553 1292471383 /nfs/dbraw/zinc/47/13/83/1292471383.db2.gz NOGMGMXIWBRMEV-UHFFFAOYSA-N -1 3 348.358 2.983 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000958549915 1292870816 /nfs/dbraw/zinc/87/08/16/1292870816.db2.gz JFMIBPOWXZUSSR-MUKKUYKPSA-N -1 3 330.428 2.571 20 30 EFEDHM N#CCS(=O)(=O)[N-]c1c(F)cc(Cl)cc1Br ZINC001192928827 1293112592 /nfs/dbraw/zinc/11/25/92/1293112592.db2.gz IVECVCXMKLHXJH-UHFFFAOYSA-N -1 3 327.562 2.507 20 30 EFEDHM Cc1c([N-]S(=O)(=O)CC#N)cccc1NC(=O)OC(C)(C)C ZINC001192985825 1293117153 /nfs/dbraw/zinc/11/71/53/1293117153.db2.gz OVAQKZDQAVOHCN-UHFFFAOYSA-N -1 3 325.390 2.607 20 30 EFEDHM Cc1ccc([N-]S(=O)(=O)[C@H](C)C#N)cc1NC(=O)OC(C)(C)C ZINC001193160238 1293190193 /nfs/dbraw/zinc/19/01/93/1293190193.db2.gz AIBJCQVDHBENIQ-LLVKDONJSA-N -1 3 339.417 2.996 20 30 EFEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc(Br)[nH]n1 ZINC001193294604 1293239827 /nfs/dbraw/zinc/23/98/27/1293239827.db2.gz GWQQDPDFMCUVRH-UHFFFAOYSA-N -1 3 327.088 2.574 20 30 EFEDHM C[C@H](C#N)c1ccc(NC(=O)c2cccc(OCCO)c2[O-])cc1 ZINC001193345427 1293264179 /nfs/dbraw/zinc/26/41/79/1293264179.db2.gz YPCDIGYVIRNHLN-GFCCVEGCSA-N -1 3 326.352 2.643 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2c(C)c[nH]c2C)c(C)c1[O-] ZINC001193357059 1293269759 /nfs/dbraw/zinc/26/97/59/1293269759.db2.gz FTELZLOAYWFYBR-UHFFFAOYSA-N -1 3 341.367 2.946 20 30 EFEDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2F)c1 ZINC001193426911 1293304167 /nfs/dbraw/zinc/30/41/67/1293304167.db2.gz VEPIGVVGOMJALI-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM N#Cc1cc(C(=O)N2CCN(CC3CCCCC3)CC2)ccc1[O-] ZINC001193493297 1293324312 /nfs/dbraw/zinc/32/43/12/1293324312.db2.gz CJNZPTQOUFORTI-UHFFFAOYSA-N -1 3 327.428 2.602 20 30 EFEDHM N#Cc1cc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)ccc1[O-] ZINC001193518840 1293342655 /nfs/dbraw/zinc/34/26/55/1293342655.db2.gz HHMHCJMBYMKTCR-SFHVURJKSA-N -1 3 335.407 2.658 20 30 EFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C ZINC001233803487 1312996051 /nfs/dbraw/zinc/99/60/51/1312996051.db2.gz QAWAAADTUDFPKB-OWCCGDBMSA-N -1 3 336.388 2.890 20 30 EFEDHM Cn1ccc(-c2ccc(C(=O)N([O-])C(=N)c3ccccc3N)cc2)n1 ZINC001193682572 1293408014 /nfs/dbraw/zinc/40/80/14/1293408014.db2.gz PCYYTTHMBHBNNC-UHFFFAOYSA-N -1 3 335.367 2.526 20 30 EFEDHM O=C1C=C([N-]S(=O)(=O)c2cc(F)cc(Br)c2)CCC1 ZINC001193806257 1293447395 /nfs/dbraw/zinc/44/73/95/1293447395.db2.gz GGGZAVNWOMPMKH-UHFFFAOYSA-N -1 3 348.193 2.503 20 30 EFEDHM C=C(C)C(=O)OCC(COC(=O)C(=C)C)Oc1cccc([O-])c1F ZINC001233871414 1313008445 /nfs/dbraw/zinc/00/84/45/1313008445.db2.gz NKLABFOTUVRVMB-UHFFFAOYSA-N -1 3 338.331 2.517 20 30 EFEDHM Cn1nc(C(=O)[N-]c2c(C#N)ccc(F)c2F)cc1Br ZINC001194439160 1293641713 /nfs/dbraw/zinc/64/17/13/1293641713.db2.gz ABXGPVVEQQZHAZ-UHFFFAOYSA-N -1 3 341.115 2.585 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCN(Cc3cc(F)c([O-])cc3F)C2)C1=O ZINC001273678973 1293669459 /nfs/dbraw/zinc/66/94/59/1293669459.db2.gz FATPPTYTTOZKCJ-SFHVURJKSA-N -1 3 336.382 2.671 20 30 EFEDHM C=CCN1C[C@]2(CC1=O)CCCCN2Cc1sccc1C(=O)[O-] ZINC001273680878 1293685285 /nfs/dbraw/zinc/68/52/85/1293685285.db2.gz ZHSJEQKWSRMUFL-QGZVFWFLSA-N -1 3 334.441 2.589 20 30 EFEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nccnc32)c1 ZINC001194978960 1293765354 /nfs/dbraw/zinc/76/53/54/1293765354.db2.gz TYVKBHYRCSAZRA-UHFFFAOYSA-N -1 3 344.783 2.956 20 30 EFEDHM C=C1CC=C(F)C=C1NC(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001194997556 1293771854 /nfs/dbraw/zinc/77/18/54/1293771854.db2.gz WNZLGSXOPCJALZ-UHFFFAOYSA-N -1 3 340.351 2.624 20 30 EFEDHM CCOc1cccc([C@@H]2C[C@@H]2/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000775630288 1293785564 /nfs/dbraw/zinc/78/55/64/1293785564.db2.gz KRSUBIMCVCTVGG-MREUFFTOSA-N -1 3 326.396 2.962 20 30 EFEDHM Cc1cc(C#N)cc(C(=O)Nc2n[n-]c(CC(=O)c3ccccc3)n2)c1 ZINC001195409116 1293909710 /nfs/dbraw/zinc/90/97/10/1293909710.db2.gz GXIIYKOGJFDABY-UHFFFAOYSA-N -1 3 345.362 2.663 20 30 EFEDHM Cc1c(Br)[nH]nc1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001195599338 1293967178 /nfs/dbraw/zinc/96/71/78/1293967178.db2.gz JYVWRPCIXCMCNF-UHFFFAOYSA-N -1 3 341.115 2.883 20 30 EFEDHM N#CC1(c2ccccc2)CCN(S(=O)(=O)c2ccc([O-])cc2)CC1 ZINC001195763675 1294018653 /nfs/dbraw/zinc/01/86/53/1294018653.db2.gz VSHMAOCRGPCMBG-UHFFFAOYSA-N -1 3 342.420 2.638 20 30 EFEDHM N#Cc1ccc(NS(=O)(=O)c2ccc([O-])cc2)c(F)c1Cl ZINC001195807981 1294044779 /nfs/dbraw/zinc/04/47/79/1294044779.db2.gz VOIPQYJKVYGCQP-UHFFFAOYSA-N -1 3 326.736 2.857 20 30 EFEDHM COC(=O)c1cccc(NC(=S)Nc2ccc([O-])c(C#N)c2)c1 ZINC001195844454 1294057435 /nfs/dbraw/zinc/05/74/35/1294057435.db2.gz AFOAIDNIJLYUPQ-UHFFFAOYSA-N -1 3 327.365 2.859 20 30 EFEDHM C#CCCCS(=O)(=O)[N-]c1n[nH]c(-c2ccccc2OC)c1C ZINC000903674374 1313048226 /nfs/dbraw/zinc/04/82/26/1313048226.db2.gz DYUBCHRNMUECOK-UHFFFAOYSA-N -1 3 333.413 2.549 20 30 EFEDHM CCOC(=O)c1cnc(N=NC(C)c2c([O-])cccc2F)nc1C ZINC000884446925 1294141971 /nfs/dbraw/zinc/14/19/71/1294141971.db2.gz FLIQOCHQUIIDDX-UHFFFAOYSA-N -1 3 332.335 2.643 20 30 EFEDHM Cc1cc(CNC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)n[nH]1 ZINC001196319940 1294196501 /nfs/dbraw/zinc/19/65/01/1294196501.db2.gz GSIUUQSPSUCFFK-UHFFFAOYSA-N -1 3 332.363 2.892 20 30 EFEDHM C=CCCCNC(=O)c1cc([O-])cc(I)c1 ZINC001196427839 1294244771 /nfs/dbraw/zinc/24/47/71/1294244771.db2.gz FHKINTAFKVGEJW-UHFFFAOYSA-N -1 3 331.153 2.693 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc([O-])cc(C#N)c2)CC(=O)C1 ZINC001234139674 1313066878 /nfs/dbraw/zinc/06/68/78/1313066878.db2.gz JBYDJOIVOQFNJM-OAHLLOKOSA-N -1 3 346.383 2.611 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc([O-])cc(C#N)c2)CC1=O ZINC001234139097 1313067013 /nfs/dbraw/zinc/06/70/13/1313067013.db2.gz FUNOMWUOBAIIJJ-ZDUSSCGKSA-N -1 3 332.356 2.569 20 30 EFEDHM CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)CC(F)(F)C1 ZINC001196697116 1294332436 /nfs/dbraw/zinc/33/24/36/1294332436.db2.gz AFZRZLOOGWNBHP-UHFFFAOYSA-N -1 3 334.775 2.925 20 30 EFEDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000885149797 1294335805 /nfs/dbraw/zinc/33/58/05/1294335805.db2.gz BMGZFITVQZTFAW-AWEZNQCLSA-N -1 3 347.827 2.881 20 30 EFEDHM COc1cnc(Br)cc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001197166074 1294472140 /nfs/dbraw/zinc/47/21/40/1294472140.db2.gz MEMHAVKZWDQXPR-UHFFFAOYSA-N -1 3 348.156 2.682 20 30 EFEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(-c2ccc(C#N)cc2)o1 ZINC001197401505 1294531594 /nfs/dbraw/zinc/53/15/94/1294531594.db2.gz MZDUKFJQWQGZAF-UHFFFAOYSA-N -1 3 336.351 2.528 20 30 EFEDHM COc1cccc(CS(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c1 ZINC001197376315 1294535896 /nfs/dbraw/zinc/53/58/96/1294535896.db2.gz CWJZNCJOVFRHEY-UHFFFAOYSA-N -1 3 338.335 2.787 20 30 EFEDHM C=C[C@@H]1O[C@H](Oc2c(Cl)ccc([O-])c2F)[C@H]2OC(C)(C)O[C@@H]12 ZINC001234263002 1313091049 /nfs/dbraw/zinc/09/10/49/1313091049.db2.gz OAIRDFYAEQZMSH-NZPIUUIZSA-N -1 3 330.739 2.995 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(C)C ZINC000304161442 1295037779 /nfs/dbraw/zinc/03/77/79/1295037779.db2.gz HQPKDSSOFILUOE-SECBINFHSA-N -1 3 336.276 2.755 20 30 EFEDHM C=CCN[C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1OC ZINC001198554491 1295129544 /nfs/dbraw/zinc/12/95/44/1295129544.db2.gz OTLROXIFLVIRGS-INIZCTEOSA-N -1 3 326.396 2.648 20 30 EFEDHM C=C[C@@H]1O[C@@H](Oc2c([O-])cc(Cl)cc2F)[C@H]2OC(C)(C)O[C@@H]12 ZINC001234443534 1313129671 /nfs/dbraw/zinc/12/96/71/1313129671.db2.gz IIGILDCEDSFEEM-PYJNHQTQSA-N -1 3 330.739 2.995 20 30 EFEDHM CCOC(=O)[C@@H]1CCC[C@@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234514476 1313142792 /nfs/dbraw/zinc/14/27/92/1313142792.db2.gz WMSYGZKOFHAWTB-DGCLKSJQSA-N -1 3 341.367 2.708 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccncc2OCC(F)(F)F)ccc1[O-] ZINC001199134796 1295429505 /nfs/dbraw/zinc/42/95/05/1295429505.db2.gz LMVPFQWOXFGPEA-UHFFFAOYSA-N -1 3 337.257 2.852 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000959539018 1295505008 /nfs/dbraw/zinc/50/50/08/1295505008.db2.gz TULQJACMWVGYDI-LSDHHAIUSA-N -1 3 344.455 2.819 20 30 EFEDHM CCOC(=O)c1ccc(Br)c([O-])c1O[C@@H]1C=CC(=O)C1 ZINC001234610535 1313167961 /nfs/dbraw/zinc/16/79/61/1313167961.db2.gz XWFCPBVCCAJNCU-SECBINFHSA-N -1 3 341.157 2.608 20 30 EFEDHM [O-]N=Cc1ccccc1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001234819270 1313194567 /nfs/dbraw/zinc/19/45/67/1313194567.db2.gz JQCNDUNATBDCEG-GOSISDBHSA-N -1 3 326.396 2.775 20 30 EFEDHM C=CCNC(=O)[C@H]1CC12CCN(Cc1cc([O-])c(F)c(F)c1)CC2 ZINC001274808256 1296182727 /nfs/dbraw/zinc/18/27/27/1296182727.db2.gz VMLVQEVCBMPROY-CYBMUJFWSA-N -1 3 336.382 2.575 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201789304 1297103122 /nfs/dbraw/zinc/10/31/22/1297103122.db2.gz CEQIBOGNKWTROK-MRVPVSSYSA-N -1 3 335.198 2.559 20 30 EFEDHM CC(C)(C)C#CC[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201789805 1297104268 /nfs/dbraw/zinc/10/42/68/1297104268.db2.gz HJLLVSKMBDWXFZ-UHFFFAOYSA-N -1 3 348.237 2.916 20 30 EFEDHM CC(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201791625 1297105852 /nfs/dbraw/zinc/10/58/52/1297105852.db2.gz RRCWJGPRRCYGPU-GFCCVEGCSA-N -1 3 349.225 2.805 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201902317 1297142376 /nfs/dbraw/zinc/14/23/76/1297142376.db2.gz LHGJKHNSBPCDJK-HNNXBMFYSA-N -1 3 345.424 2.631 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)nc1F ZINC000867415981 1297179603 /nfs/dbraw/zinc/17/96/03/1297179603.db2.gz MVQWJXRVBLJLJT-ZDUSSCGKSA-N -1 3 349.362 2.587 20 30 EFEDHM Cc1cc(C)c(NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000776275990 1297340058 /nfs/dbraw/zinc/34/00/58/1297340058.db2.gz WCIMJUPXCYZDLC-UHFFFAOYSA-N -1 3 338.363 2.985 20 30 EFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000776279998 1297354944 /nfs/dbraw/zinc/35/49/44/1297354944.db2.gz OCVHPTBHGOAITO-BFQNTYOBSA-N -1 3 330.384 2.504 20 30 EFEDHM Cc1ccc(C(=O)NCCC(=O)O[C@@H](C#N)C2CCCCC2)c([O-])c1 ZINC000776382407 1298210667 /nfs/dbraw/zinc/21/06/67/1298210667.db2.gz VTXJERRMWOCESK-KRWDZBQOSA-N -1 3 344.411 2.836 20 30 EFEDHM C=C(Cl)CN1CC[C@@H]([C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000961150117 1298210569 /nfs/dbraw/zinc/21/05/69/1298210569.db2.gz WGKHOVCBTFBDMA-HUUCEWRRSA-N -1 3 349.862 2.714 20 30 EFEDHM C=CCN1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC001236665162 1313505934 /nfs/dbraw/zinc/50/59/34/1313505934.db2.gz HPLLNFFFAVASKN-UHFFFAOYSA-N -1 3 325.250 2.767 20 30 EFEDHM O=C1C=C2CN(Cc3ccc(Br)c([O-])c3)CC[C@@H]2S1 ZINC001236683635 1313508015 /nfs/dbraw/zinc/50/80/15/1313508015.db2.gz JTKBFDVNHDGDJN-ZDUSSCGKSA-N -1 3 340.242 2.929 20 30 EFEDHM C=C1CCC(C(=O)N2CCC[C@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC000951908966 1298518687 /nfs/dbraw/zinc/51/86/87/1298518687.db2.gz JCUBLYCPTKMVNU-INIZCTEOSA-N -1 3 342.439 2.859 20 30 EFEDHM C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1cc([O-])cc(F)c1 ZINC001237282364 1313617253 /nfs/dbraw/zinc/61/72/53/1313617253.db2.gz XTPGJIHDVHJECU-KRWDZBQOSA-N -1 3 331.391 2.567 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2cnccc2C(F)(F)F)c1[O-] ZINC000852999116 1299964704 /nfs/dbraw/zinc/96/47/04/1299964704.db2.gz WIMRTGOZTXUAPT-SCDVKCJHSA-N -1 3 325.290 2.621 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000853333039 1300087650 /nfs/dbraw/zinc/08/76/50/1300087650.db2.gz ACNVDCLEVOFSIV-GFCCVEGCSA-N -1 3 328.328 2.988 20 30 EFEDHM Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1 ZINC000112222827 1300558554 /nfs/dbraw/zinc/55/85/54/1300558554.db2.gz QLVQTRSXNLJZTD-HNNXBMFYSA-N -1 3 345.362 2.537 20 30 EFEDHM C#CC1CCN(Cc2cccc(I)c2[O-])CC1 ZINC001237781003 1313704998 /nfs/dbraw/zinc/70/49/98/1313704998.db2.gz AIIUTGWGWMLLFN-UHFFFAOYSA-N -1 3 341.192 2.842 20 30 EFEDHM N#Cc1ccc(NC(=O)CO[N-]C(=O)CCCc2ccccc2)cc1 ZINC000112335070 1300619809 /nfs/dbraw/zinc/61/98/09/1300619809.db2.gz VFRTZMOLHPZWSA-UHFFFAOYSA-N -1 3 337.379 2.567 20 30 EFEDHM N#CCOc1cccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000089689429 1300853882 /nfs/dbraw/zinc/85/38/82/1300853882.db2.gz RHVDPBQFZGZNFY-UHFFFAOYSA-N -1 3 325.250 2.557 20 30 EFEDHM N#CCOc1cccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000089689429 1300853902 /nfs/dbraw/zinc/85/39/02/1300853902.db2.gz RHVDPBQFZGZNFY-UHFFFAOYSA-N -1 3 325.250 2.557 20 30 EFEDHM C=CCCO[N-]C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000856030727 1301210957 /nfs/dbraw/zinc/21/09/57/1301210957.db2.gz OMBDKMPMVAPKLS-ZDUSSCGKSA-N -1 3 335.379 2.694 20 30 EFEDHM C=CCOC(=O)N[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2C)C1 ZINC001238143543 1313769546 /nfs/dbraw/zinc/76/95/46/1313769546.db2.gz NTNAZXLYUXUPLW-INIZCTEOSA-N -1 3 332.400 2.570 20 30 EFEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1 ZINC000860470750 1301818675 /nfs/dbraw/zinc/81/86/75/1301818675.db2.gz VBAJVFQDFNVNEJ-LLVKDONJSA-N -1 3 330.775 2.826 20 30 EFEDHM Cc1cc([O-])c(CN2CCN(c3ccc(C#N)nc3)CC2)cc1Cl ZINC000862423154 1302379036 /nfs/dbraw/zinc/37/90/36/1302379036.db2.gz PJYAMDWFMAYPAA-UHFFFAOYSA-N -1 3 342.830 2.943 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3ccccc3[O-])[C@@H](C)C2)C1 ZINC000955565749 1302404233 /nfs/dbraw/zinc/40/42/33/1302404233.db2.gz MDESGXVAMBRILM-GJZGRUSLSA-N -1 3 342.439 2.858 20 30 EFEDHM CC(=NNc1ccnc(C)c1)c1cccc(OCCCC(=O)[O-])c1 ZINC000863159469 1302544154 /nfs/dbraw/zinc/54/41/54/1302544154.db2.gz SQOUWZFIPGZPHC-UHFFFAOYSA-N -1 3 327.384 2.892 20 30 EFEDHM CS(=O)(=O)N[C@@H]1CCCC[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000794675875 1302917521 /nfs/dbraw/zinc/91/75/21/1302917521.db2.gz GXDDAZZSPZFSPO-RUECKKTJSA-N -1 3 344.864 2.573 20 30 EFEDHM C=C(Cl)C[C@@H](NCc1cc(OC)cc2c1O[C@H](C)C2)C(=O)[O-] ZINC000864518391 1302956882 /nfs/dbraw/zinc/95/68/82/1302956882.db2.gz INBULZCKEOQNOX-QMTHXVAHSA-N -1 3 325.792 2.704 20 30 EFEDHM C=C(Cl)C[C@@H](NCc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000864518514 1302957398 /nfs/dbraw/zinc/95/73/98/1302957398.db2.gz LWGSYMHHPJHWBH-LLVKDONJSA-N -1 3 328.199 2.912 20 30 EFEDHM C[C@H]1CCN(Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000965270303 1303096278 /nfs/dbraw/zinc/09/62/78/1303096278.db2.gz RALONOOYHHWTQV-KXBFYZLASA-N -1 3 349.434 2.904 20 30 EFEDHM CN(C)S(=O)(=O)c1cccc(-c2ccc3c(c2)CC/C3=N/[O-])c1 ZINC001239238582 1313918655 /nfs/dbraw/zinc/91/86/55/1313918655.db2.gz WLLJRUPGUOINMX-ZCXUNETKSA-N -1 3 330.409 2.728 20 30 EFEDHM O=C(c1cccc(-c2cc(/C=N/[O-])ccc2F)c1)N1CCOCC1 ZINC001240073005 1313987437 /nfs/dbraw/zinc/98/74/37/1313987437.db2.gz MJSRFDIMJSSVRX-UDWIEESQSA-N -1 3 328.343 2.773 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnn(CC2CC2)c1 ZINC000870139771 1305163655 /nfs/dbraw/zinc/16/36/55/1305163655.db2.gz RFWMREIBVWFIBR-ZDUSSCGKSA-N -1 3 342.786 2.908 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001018803267 1314054498 /nfs/dbraw/zinc/05/44/98/1314054498.db2.gz WNOUTCBZZDBZNF-UHFFFAOYSA-N -1 3 342.439 2.669 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001018808223 1314056986 /nfs/dbraw/zinc/05/69/86/1314056986.db2.gz UUYOGAFGJLQIRA-IBGZPJMESA-N -1 3 342.439 2.669 20 30 EFEDHM C=C[C@@H](C)[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066871014 1307408569 /nfs/dbraw/zinc/40/85/69/1307408569.db2.gz UWAJCXDPJQYQPG-HUUCEWRRSA-N -1 3 332.444 2.771 20 30 EFEDHM C=C[C@H](C)[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066871013 1307408719 /nfs/dbraw/zinc/40/87/19/1307408719.db2.gz UWAJCXDPJQYQPG-GJZGRUSLSA-N -1 3 332.444 2.771 20 30 EFEDHM C[C@@H](CNC(=O)c1ccccc1[O-])Nc1ncc(C#N)cc1Cl ZINC001097675214 1314190412 /nfs/dbraw/zinc/19/04/12/1314190412.db2.gz QMBRBJKYTXUNOH-JTQLQIEISA-N -1 3 330.775 2.543 20 30 EFEDHM C[C@H](CNC(=O)c1ccccc1[O-])Nc1nc(Cl)c(C#N)s1 ZINC001097675482 1314190709 /nfs/dbraw/zinc/19/07/09/1314190709.db2.gz UPYDASHLYMXXGS-MRVPVSSYSA-N -1 3 336.804 2.604 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001007890392 1307685999 /nfs/dbraw/zinc/68/59/99/1307685999.db2.gz AGNRGYVIYWTPQR-INIZCTEOSA-N -1 3 344.455 2.961 20 30 EFEDHM C=C1CC(C)(C(=O)N2C[C@H](NC(=O)c3ccccc3[O-])C(C)(C)C2)C1 ZINC001007898301 1307693043 /nfs/dbraw/zinc/69/30/43/1307693043.db2.gz FRZIZJHMDUXVSH-INIZCTEOSA-N -1 3 342.439 2.715 20 30 EFEDHM C=C(Cl)CN1CC[C@]2(C1)CCCCN(C(=O)c1ncccc1[O-])C2 ZINC001045931891 1307923966 /nfs/dbraw/zinc/92/39/66/1307923966.db2.gz AAAWKPWUHPXTJM-SFHVURJKSA-N -1 3 349.862 2.858 20 30 EFEDHM C[C@]1(NC(=O)c2ccccc2[O-])CCN(Cc2ccc(C#N)s2)C1 ZINC001046148101 1308322975 /nfs/dbraw/zinc/32/29/75/1308322975.db2.gz RRKQRNZUFYFEGA-SFHVURJKSA-N -1 3 341.436 2.720 20 30 EFEDHM Cc1noc([N-]c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)c1C#N ZINC001209827113 1314246525 /nfs/dbraw/zinc/24/65/25/1314246525.db2.gz WDGUZAHUWAOCBZ-UHFFFAOYSA-N -1 3 344.375 2.587 20 30 EFEDHM Brc1ccc2c(c1)C(=N[N-]c1[nH+]cnc3[n-]cnc31)CC2 ZINC000800811028 1308465559 /nfs/dbraw/zinc/46/55/59/1308465559.db2.gz DTXLETOQNYLVDP-UHFFFAOYSA-N -1 3 343.188 2.878 20 30 EFEDHM COC(=O)c1nc(Br)sc1[N-]c1cccnc1C#N ZINC001210145557 1314287617 /nfs/dbraw/zinc/28/76/17/1314287617.db2.gz LYIIMDREURKHAI-UHFFFAOYSA-N -1 3 339.174 2.702 20 30 EFEDHM COC([O-])=NC(=S)N(c1cnc(C#N)c(C)c1)c1ccccc1N ZINC001210208680 1314295441 /nfs/dbraw/zinc/29/54/41/1314295441.db2.gz MRIUXSSTVYAOKC-UHFFFAOYSA-N -1 3 341.396 2.623 20 30 EFEDHM C=CC(C)(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001052691511 1314299818 /nfs/dbraw/zinc/29/98/18/1314299818.db2.gz SCPKLMLLTOCNFX-GJZGRUSLSA-N -1 3 344.455 2.819 20 30 EFEDHM CS(=O)(=O)CC1(CC(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000901370767 1310252009 /nfs/dbraw/zinc/25/20/09/1310252009.db2.gz FKISGDABOGWFEI-UHFFFAOYSA-N -1 3 347.436 2.773 20 30 EFEDHM O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N([O-])Cc1ccc(F)cc1 ZINC000901372583 1310256018 /nfs/dbraw/zinc/25/60/18/1310256018.db2.gz IIPZFPTXPWHSOC-UHFFFAOYSA-N -1 3 348.315 2.770 20 30 EFEDHM O=C(c1csc(-c2cnccn2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901374064 1310262337 /nfs/dbraw/zinc/26/23/37/1310262337.db2.gz CSBFVZBQGFFHRA-UHFFFAOYSA-N -1 3 330.344 2.771 20 30 EFEDHM O=C([C@@H]1CCN(c2ccc(F)cc2)C1=O)N([O-])Cc1ccc(F)cc1 ZINC000901373969 1310262921 /nfs/dbraw/zinc/26/29/21/1310262921.db2.gz BGYQHQOFDFCIQE-MRXNPFEDSA-N -1 3 346.333 2.736 20 30 EFEDHM COc1ccc2c(c1)OC[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)C2 ZINC000901374919 1310263425 /nfs/dbraw/zinc/26/34/25/1310263425.db2.gz WUTGULQXMQQJRX-AWEZNQCLSA-N -1 3 331.343 2.803 20 30 EFEDHM O=C(CCn1ccccc1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901380339 1310280502 /nfs/dbraw/zinc/28/05/02/1310280502.db2.gz VHZCYCQKTNSTDD-UHFFFAOYSA-N -1 3 341.194 2.963 20 30 EFEDHM C=CCN(CC(=O)[O-])Cc1ccc(OC)cc1OCc1cccnc1 ZINC000901585719 1310704991 /nfs/dbraw/zinc/70/49/91/1310704991.db2.gz HPTYXQCHUIEBPL-UHFFFAOYSA-N -1 3 342.395 2.742 20 30 EFEDHM C=C1CCC(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001012326393 1310994026 /nfs/dbraw/zinc/99/40/26/1310994026.db2.gz OYAPVMMIJQLUFZ-ZBFHGGJFSA-N -1 3 342.439 2.858 20 30 EFEDHM C=CCOC[C@H](NCc1cn(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC000901808976 1311054730 /nfs/dbraw/zinc/05/47/30/1311054730.db2.gz AVAWVPPXOAQYMG-INIZCTEOSA-N -1 3 349.818 2.580 20 30 EFEDHM C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[O-])C2 ZINC001047700724 1311091742 /nfs/dbraw/zinc/09/17/42/1311091742.db2.gz INUFJXHICJGGMP-JYJNAYRXSA-N -1 3 342.439 2.858 20 30 EFEDHM COC[C@H](O[C@@H](/C(=N\[O-])c1ccccc1)c1ccccc1)C(=O)OC ZINC001222341925 1311116746 /nfs/dbraw/zinc/11/67/46/1311116746.db2.gz RMSIXMAKOKKVMT-BBVLRUCQSA-N -1 3 343.379 2.811 20 30 EFEDHM Cc1nsc(N[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C)c1C#N ZINC001067036793 1311141505 /nfs/dbraw/zinc/14/15/05/1311141505.db2.gz DQAZABJCYUTULS-HZMBPMFUSA-N -1 3 342.424 2.601 20 30 EFEDHM C=C(Cl)C[C@@H](NCc1c(C(C)C)nc2sc(C)nn21)C(=O)[O-] ZINC000901940671 1311220008 /nfs/dbraw/zinc/22/00/08/1311220008.db2.gz PTGXUAOJLPUUDP-SNVBAGLBSA-N -1 3 342.852 2.908 20 30 EFEDHM C=C1CCC(C(=O)N2C[C@@H](NC(=O)c3ccccc3[O-])C[C@H]2C)CC1 ZINC001014025328 1311304848 /nfs/dbraw/zinc/30/48/48/1311304848.db2.gz LFHPHZKPPAROLR-ZBFHGGJFSA-N -1 3 342.439 2.858 20 30 EFEDHM N#C[C@H](c1ccc(NCc2ncccc2[O-])nn1)c1ccccc1F ZINC001158774879 1311385757 /nfs/dbraw/zinc/38/57/57/1311385757.db2.gz UJOWIQAUKRFIRL-ZDUSSCGKSA-N -1 3 335.342 2.984 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)[n-]1 ZINC001225467489 1311528124 /nfs/dbraw/zinc/52/81/24/1311528124.db2.gz RJBZZFUMFIUXEG-IAQYHMDHSA-N -1 3 347.415 2.992 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@H](C(=O)c2ccccn2)c2ccccn2)[n-]1 ZINC001225468838 1311528254 /nfs/dbraw/zinc/52/82/54/1311528254.db2.gz DNWLUAUGIAGHGL-SFHVURJKSA-N -1 3 346.346 2.760 20 30 EFEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)ncc1C(F)(F)F ZINC001225579635 1311547517 /nfs/dbraw/zinc/54/75/17/1311547517.db2.gz NYPQKVCMWAWBDA-MRVPVSSYSA-N -1 3 334.294 2.866 20 30 EFEDHM Cc1cnc(=S)[n-]c1O[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001225740694 1311570637 /nfs/dbraw/zinc/57/06/37/1311570637.db2.gz IFBYVYAZLNMTBH-HNNXBMFYSA-N -1 3 326.425 2.599 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cccc(/C=N/[O-])c2)CC(=O)C1 ZINC001226110780 1311614880 /nfs/dbraw/zinc/61/48/80/1311614880.db2.gz VRBVWBNBPPUBLD-YDDPGSGASA-N -1 3 348.399 2.842 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cccc(/C=N/[O-])c2)CC(=O)C1 ZINC001226110781 1311615058 /nfs/dbraw/zinc/61/50/58/1311615058.db2.gz VRBVWBNBPPUBLD-ZVCOJXFSSA-N -1 3 348.399 2.842 20 30 EFEDHM [O-]/N=C/c1ccnc(O[C@@H]2CCN(Cc3ccccc3Cl)C2)n1 ZINC001226254626 1311637667 /nfs/dbraw/zinc/63/76/67/1311637667.db2.gz AZWBYWWLTWNZGS-MRGVZLDZSA-N -1 3 332.791 2.591 20 30 EFEDHM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1nccc(/C=N/[O-])n1)C2 ZINC001226254423 1311638095 /nfs/dbraw/zinc/63/80/95/1311638095.db2.gz XQOPZKUIEWLJDZ-DFRUVDMBSA-N -1 3 348.403 2.594 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc2nc(Cl)cnc2cc1Cl ZINC001160175018 1311659675 /nfs/dbraw/zinc/65/96/75/1311659675.db2.gz UOZAPYQRPXADKB-QTTZVWFDSA-N -1 3 327.171 2.585 20 30 EFEDHM Cc1nc2sc3c(c2c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1)CCCCC3 ZINC001160176466 1311660221 /nfs/dbraw/zinc/66/02/21/1311660221.db2.gz STCLCHGGYNNZGV-XPTSAGLGSA-N -1 3 346.456 2.917 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncc(OCc2ccccc2)cc1Cl ZINC001160176112 1311660261 /nfs/dbraw/zinc/66/02/61/1311660261.db2.gz GMVSFNQDLUPJTD-NHYWBVRUSA-N -1 3 347.802 2.962 20 30 EFEDHM Cc1ccc(-c2nc3ccccc3c(N[C@@H]3C(=O)N([O-])C[C@@H]3C)n2)cc1 ZINC001160176293 1311660495 /nfs/dbraw/zinc/66/04/95/1311660495.db2.gz KTGZMQZFAFIWNF-GUYCJALGSA-N -1 3 348.406 2.675 20 30 EFEDHM Cc1nnc(=O)[n-]c1OC(c1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC001226461757 1311671621 /nfs/dbraw/zinc/67/16/21/1311671621.db2.gz VAVFMJJYBBIWSR-UHFFFAOYSA-N -1 3 343.346 2.797 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc(C#N)ccc2[O-])CC1=O ZINC001227346497 1311796304 /nfs/dbraw/zinc/79/63/04/1311796304.db2.gz USMSZEHLGUGCDP-GFCCVEGCSA-N -1 3 332.356 2.569 20 30 EFEDHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)Oc1cc(C#N)ccc1[O-] ZINC001227344685 1311796307 /nfs/dbraw/zinc/79/63/07/1311796307.db2.gz CFZUOIVJMHFBEL-MGPHVCOZSA-N -1 3 347.411 2.965 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc(C#N)ccc2[O-])[C@@H](F)C1 ZINC001227344742 1311796322 /nfs/dbraw/zinc/79/63/22/1311796322.db2.gz CZMFHWVCNQMXOD-JSGCOSHPSA-N -1 3 336.363 2.990 20 30 EFEDHM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1cc(C#N)ccc1[O-] ZINC001227345331 1311796325 /nfs/dbraw/zinc/79/63/25/1311796325.db2.gz MYPDFOACNSCLOQ-HNNXBMFYSA-N -1 3 325.368 2.605 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](Oc3cc(C#N)ccc3[O-])[C@H]2C1 ZINC001227349297 1311796679 /nfs/dbraw/zinc/79/66/79/1311796679.db2.gz GVYWBTVITJWNKY-YDHLFZDLSA-N -1 3 330.384 2.898 20 30 EFEDHM CC(C)(C)OC(=O)N1CCCO[C@H](COc2cc(C#N)ccc2[O-])C1 ZINC001227351563 1311796708 /nfs/dbraw/zinc/79/67/08/1311796708.db2.gz VMOILSBVMUIHAG-AWEZNQCLSA-N -1 3 348.399 2.669 20 30 EFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227616006 1311830556 /nfs/dbraw/zinc/83/05/56/1311830556.db2.gz IZKGHZFDESOXLZ-SNVBAGLBSA-N -1 3 346.799 2.755 20 30 EFEDHM CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1ncc(Cl)cc1[O-] ZINC001227983104 1311883950 /nfs/dbraw/zinc/88/39/50/1311883950.db2.gz MKLXIERQRCKXPV-LBPRGKRZSA-N -1 3 327.840 2.632 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3[O-])[C@H]2C)C1 ZINC001015210505 1311980023 /nfs/dbraw/zinc/98/00/23/1311980023.db2.gz XTIKNVVYSVXRKC-GOEBONIOSA-N -1 3 342.439 2.858 20 30 EFEDHM C=C[C@H](Oc1nc(=S)[n-]c2sc3c(c21)CCCC3)C(=O)OC ZINC001229288748 1312072668 /nfs/dbraw/zinc/07/26/68/1312072668.db2.gz VKBLKCRPZOMRBZ-VIFPVBQESA-N -1 3 336.438 2.965 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CC[C@H](CNC(=O)c3ccccc3[O-])C2)C1 ZINC001015569820 1312186159 /nfs/dbraw/zinc/18/61/59/1312186159.db2.gz GVBBGFUUTHWQSU-GJZGRUSLSA-N -1 3 342.439 2.763 20 30 EFEDHM C#C[C@H]1CCC[C@@H]1Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230185124 1312201107 /nfs/dbraw/zinc/20/11/07/1312201107.db2.gz AIBUVFZSEWQKEK-LPHOPBHVSA-N -1 3 349.434 2.921 20 30 EFEDHM CC(C)[C@H](C#N)c1ccc(-n2c3[n-]c(=O)sc3c(=O)nc2N)cc1 ZINC001163048370 1312231795 /nfs/dbraw/zinc/23/17/95/1312231795.db2.gz LUIWDZYCUYYUEE-NSHDSACASA-N -1 3 341.396 2.636 20 30 EFEDHM N#CC1(NC(=O)[C@@]23C[C@@H]2CCN3Cc2cc(Cl)ccc2[O-])CCC1 ZINC001277458175 1312252189 /nfs/dbraw/zinc/25/21/89/1312252189.db2.gz OXKXMCVFXKVFCE-SCLBCKFNSA-N -1 3 345.830 2.572 20 30 EFEDHM [O-]N=C(Nc1ccc2ncnn2c1)c1ccc(OC(F)(F)F)cc1 ZINC001163765564 1312380534 /nfs/dbraw/zinc/38/05/34/1312380534.db2.gz HKFJMXNYKAZIIA-UHFFFAOYSA-N -1 3 337.261 2.876 20 30 EFEDHM [O-]N=C(Nc1ccc2nncn2c1)c1ccc(OC(F)(F)F)cc1 ZINC001163766158 1312380836 /nfs/dbraw/zinc/38/08/36/1312380836.db2.gz VJEWNPREPJTVQO-UHFFFAOYSA-N -1 3 337.261 2.876 20 30 EFEDHM COc1nnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cc1C ZINC001163764819 1312380968 /nfs/dbraw/zinc/38/09/68/1312380968.db2.gz AMONBEBUFJAEIX-UHFFFAOYSA-N -1 3 342.277 2.940 20 30 EFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CC[C@@H]3CCCO[C@H]3C2)n1 ZINC001165329612 1312610489 /nfs/dbraw/zinc/61/04/89/1312610489.db2.gz BDCXYRMJBSPIAT-PJYVOZPRSA-N -1 3 342.852 2.665 20 30 EFEDHM Cn1cncc1Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001211247320 1314463062 /nfs/dbraw/zinc/46/30/62/1314463062.db2.gz VASOEXXOAVCCGR-REZTVBANSA-N -1 3 326.385 2.699 20 30 EFEDHM COC(=O)c1c(F)cccc1[N-]c1nc(C#N)c(C#N)nc1Cl ZINC001214047489 1314640092 /nfs/dbraw/zinc/64/00/92/1314640092.db2.gz FUBUKHCOHQHYCN-UHFFFAOYSA-N -1 3 331.694 2.543 20 30 EFEDHM COc1ccc(CN2CCOCC2)cc1Nc1cc(C#N)ccc1[O-] ZINC001215551062 1314850744 /nfs/dbraw/zinc/85/07/44/1314850744.db2.gz YIFMGFQOSOZQHO-UHFFFAOYSA-N -1 3 339.395 2.848 20 30 EFEDHM N#Cc1cc(F)cc(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)c1 ZINC001216014627 1314901778 /nfs/dbraw/zinc/90/17/78/1314901778.db2.gz RJTOGUXLGJPAFP-UHFFFAOYSA-N -1 3 333.286 2.594 20 30 EFEDHM N#Cc1cc(F)cc(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)c1 ZINC001216014627 1314901780 /nfs/dbraw/zinc/90/17/80/1314901780.db2.gz RJTOGUXLGJPAFP-UHFFFAOYSA-N -1 3 333.286 2.594 20 30 EFEDHM Cc1cc(-c2noc(-c3ccc(-c4nnn[n-]4)cc3)n2)ccc1C#N ZINC001216107694 1314913747 /nfs/dbraw/zinc/91/37/47/1314913747.db2.gz BGMLTXRMZVBBCS-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM Cc1cc(-c2noc(-c3ccc(-c4nn[n-]n4)cc3)n2)ccc1C#N ZINC001216107694 1314913751 /nfs/dbraw/zinc/91/37/51/1314913751.db2.gz BGMLTXRMZVBBCS-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM N#Cc1cc(F)cc(-c2noc(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC001216120875 1314915172 /nfs/dbraw/zinc/91/51/72/1314915172.db2.gz FBOPPSCXMMOOGK-UHFFFAOYSA-N -1 3 333.286 2.594 20 30 EFEDHM N#Cc1cc(F)cc(-c2noc(-c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC001216120875 1314915176 /nfs/dbraw/zinc/91/51/76/1314915176.db2.gz FBOPPSCXMMOOGK-UHFFFAOYSA-N -1 3 333.286 2.594 20 30 EFEDHM N#Cc1cc(Nc2cc(=O)[n-]c(=S)[nH]2)ccc1OC1CCOCC1 ZINC001216663900 1314990202 /nfs/dbraw/zinc/99/02/02/1314990202.db2.gz BGAGLWJJMODQGW-UHFFFAOYSA-N -1 3 344.396 2.644 20 30 EFEDHM Cc1cc(-c2noc(-c3cccc(OCCO)c3[O-])n2)ccc1C#N ZINC001216959599 1315025946 /nfs/dbraw/zinc/02/59/46/1315025946.db2.gz UZOQTUJSBMHKNT-UHFFFAOYSA-N -1 3 337.335 2.660 20 30 EFEDHM C#CCCN1Cc2ccccc2C[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001054032178 1315192049 /nfs/dbraw/zinc/19/20/49/1315192049.db2.gz UGQCPYJAWKSQDQ-GOSISDBHSA-N -1 3 334.419 2.572 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H](N)C23CC4CC(CC(C4)C2)C3)c([O-])cc1F ZINC001219068058 1315279577 /nfs/dbraw/zinc/27/95/77/1315279577.db2.gz FHSHBANGBNOVCD-LHZRQFJVSA-N -1 3 343.402 2.885 20 30 EFEDHM C=CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251378375 1315344389 /nfs/dbraw/zinc/34/43/89/1315344389.db2.gz WTLWLXYJTWSGTC-LBPRGKRZSA-N -1 3 349.283 2.922 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(C#CC(C)(C)O)c2)cc1 ZINC001251934175 1315389612 /nfs/dbraw/zinc/38/96/12/1315389612.db2.gz QUEIVJMVCIOZCZ-UHFFFAOYSA-N -1 3 345.420 2.618 20 30 EFEDHM CCCCCCCC[C@H](O)CN=c1nc2[nH][n-]cc-2c(Cl)n1 ZINC001252122916 1315415875 /nfs/dbraw/zinc/41/58/75/1315415875.db2.gz ALFILRCYOSHCMA-NSHDSACASA-N -1 3 325.844 2.903 20 30 EFEDHM C=CCOC[C@H](O)CNc1c([O-])c(Br)ccc1Cl ZINC001252483531 1315456184 /nfs/dbraw/zinc/45/61/84/1315456184.db2.gz QBRNYUUXKBJPQN-MRVPVSSYSA-N -1 3 336.613 2.784 20 30 EFEDHM C=CCCC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001056238058 1315611571 /nfs/dbraw/zinc/61/15/71/1315611571.db2.gz RGPPSERESCWFQN-HOTGVXAUSA-N -1 3 328.412 2.564 20 30 EFEDHM N#Cc1ccc(NCC2CCN(C(=O)c3ccccc3[O-])CC2)nc1 ZINC001057473835 1315784410 /nfs/dbraw/zinc/78/44/10/1315784410.db2.gz MVYAGYGRDNJNHS-UHFFFAOYSA-N -1 3 336.395 2.623 20 30 EFEDHM C=CCC(C)(C)C(=O)N1CC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001050735758 1315807272 /nfs/dbraw/zinc/80/72/72/1315807272.db2.gz MVNRBYAMYJLZFG-GJZGRUSLSA-N -1 3 344.455 2.961 20 30 EFEDHM C=CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001052034707 1315901983 /nfs/dbraw/zinc/90/19/83/1315901983.db2.gz ULMPZWXFLHEDOD-HUUCEWRRSA-N -1 3 344.455 2.819 20 30 EFEDHM C=CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001052034705 1315902216 /nfs/dbraw/zinc/90/22/16/1315902216.db2.gz ULMPZWXFLHEDOD-CABCVRRESA-N -1 3 344.455 2.819 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(Br)o2)c1[O-] ZINC001255413863 1316034609 /nfs/dbraw/zinc/03/46/09/1316034609.db2.gz ULNAVSIABRNVMY-GIDUJCDVSA-N -1 3 325.162 2.563 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2Br)cc1 ZINC001258038755 1316114445 /nfs/dbraw/zinc/11/44/45/1316114445.db2.gz BVBIXPNDYXMQNX-UHFFFAOYSA-N -1 3 338.186 2.517 20 30 EFEDHM N#Cc1cc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)ccc1F ZINC001259043465 1316202002 /nfs/dbraw/zinc/20/20/02/1316202002.db2.gz KBDZNMVJJYUIEZ-UHFFFAOYSA-N -1 3 344.289 2.593 20 30 EFEDHM COC(=O)c1c(C)ccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1F ZINC001259126184 1316212856 /nfs/dbraw/zinc/21/28/56/1316212856.db2.gz PMFYNVNMERUDAN-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1F ZINC001259356313 1316232413 /nfs/dbraw/zinc/23/24/13/1316232413.db2.gz RMXYCGSNOHQTTH-UHFFFAOYSA-N -1 3 336.319 2.572 20 30 EFEDHM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1ccc(-n2cccn2)cc1 ZINC001259361206 1316232971 /nfs/dbraw/zinc/23/29/71/1316232971.db2.gz JNYGUNVUVGXMSS-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2F)ccc1F ZINC001259412356 1316239148 /nfs/dbraw/zinc/23/91/48/1316239148.db2.gz DLTBKNKCEOGPIX-UHFFFAOYSA-N -1 3 329.715 2.686 20 30 EFEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)ccc1F ZINC001259418010 1316240434 /nfs/dbraw/zinc/24/04/34/1316240434.db2.gz ZDLCOBNBTITQMY-UHFFFAOYSA-N -1 3 337.282 2.648 20 30 EFEDHM N#Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)ccc1F ZINC001259417962 1316240571 /nfs/dbraw/zinc/24/05/71/1316240571.db2.gz XHDGEZGJTDENEN-UHFFFAOYSA-N -1 3 326.736 2.857 20 30 EFEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)CC2CCCCC2)c1 ZINC001259619299 1316263148 /nfs/dbraw/zinc/26/31/48/1316263148.db2.gz IKXPBLOREWCPBC-UHFFFAOYSA-N -1 3 336.413 2.667 20 30 EFEDHM N#Cc1ncc([N-]S(=O)(=O)CCc2ccc(F)cc2)cc1Cl ZINC001259755425 1316273811 /nfs/dbraw/zinc/27/38/11/1316273811.db2.gz NIDCCLOTJYKRJP-UHFFFAOYSA-N -1 3 339.779 2.730 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2F)c(F)c1F ZINC001259786675 1316278305 /nfs/dbraw/zinc/27/83/05/1316278305.db2.gz JFCITZLLHAUDQF-UHFFFAOYSA-N -1 3 340.326 2.960 20 30 EFEDHM C=CCS(=O)(=O)[N-]c1cccc2c1cnn2C(=O)OC(C)(C)C ZINC001259929966 1316298962 /nfs/dbraw/zinc/29/89/62/1316298962.db2.gz BSPQUZFJZGIZAQ-UHFFFAOYSA-N -1 3 337.401 2.747 20 30 EFEDHM N#C[C@H]([N-]S(=O)(=O)c1cnc2ccccc2c1)c1ccc(F)cc1 ZINC001260013143 1316306448 /nfs/dbraw/zinc/30/64/48/1316306448.db2.gz LGQYTLUHEKSGMT-KRWDZBQOSA-N -1 3 341.367 2.917 20 30 EFEDHM COc1cc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)ccc1C(C)=O ZINC001260044866 1316310464 /nfs/dbraw/zinc/31/04/64/1316310464.db2.gz OTSGAXJNBHECCZ-UHFFFAOYSA-N -1 3 344.392 2.711 20 30 EFEDHM CC(=O)c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1 ZINC001260044045 1316310469 /nfs/dbraw/zinc/31/04/69/1316310469.db2.gz YWQGZIUREVXMPD-UHFFFAOYSA-N -1 3 332.356 2.842 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)o1 ZINC001261013075 1316384727 /nfs/dbraw/zinc/38/47/27/1316384727.db2.gz JMBABUPMPPECBG-UHFFFAOYSA-N -1 3 348.277 2.788 20 30 EFEDHM C=C(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001073727704 1316469143 /nfs/dbraw/zinc/46/91/43/1316469143.db2.gz IAFBYBDKBUHHPD-GDBMZVCRSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001074164735 1316503975 /nfs/dbraw/zinc/50/39/75/1316503975.db2.gz JBOUJUPRRLQSPL-HOCLYGCPSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(Cc1ccccc1)C1CC1 ZINC001262956993 1316508436 /nfs/dbraw/zinc/50/84/36/1316508436.db2.gz FWXJJYKMYPRWIR-UHFFFAOYSA-N -1 3 348.410 2.796 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001263285352 1316527006 /nfs/dbraw/zinc/52/70/06/1316527006.db2.gz FHKQGNCOCURRJH-DOMZBBRYSA-N -1 3 342.447 2.950 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001263323635 1316530504 /nfs/dbraw/zinc/53/05/04/1316530504.db2.gz VOMPYHARRIMWKG-QWRGUYRKSA-N -1 3 335.433 2.545 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1n[nH]c2c1CCCC2 ZINC001263375258 1316538887 /nfs/dbraw/zinc/53/88/87/1316538887.db2.gz KCCIYAKTVFCPKZ-NSHDSACASA-N -1 3 342.786 2.903 20 30 EFEDHM C#CCC[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001263511849 1316547259 /nfs/dbraw/zinc/54/72/59/1316547259.db2.gz YYMCQWBZDAZRTE-JTQLQIEISA-N -1 3 329.805 2.670 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)CC#Cc3ccccc3)nc21 ZINC001319842705 1329010645 /nfs/dbraw/zinc/01/06/45/1329010645.db2.gz PHEAHYWOHVGUQC-UHFFFAOYSA-N -1 3 333.347 2.730 20 30 EFEDHM C=CCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001324438388 1329627593 /nfs/dbraw/zinc/62/75/93/1329627593.db2.gz OCIYRJITIIDDLO-UHFFFAOYSA-N -1 3 328.743 2.998 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCc3cnn(C(C)C)c32)c1[O-] ZINC001325525944 1329694324 /nfs/dbraw/zinc/69/43/24/1329694324.db2.gz NBKGPMFPQQXIEP-PADWCVLASA-N -1 3 328.416 2.862 20 30 EFEDHM C=CCC[C@H](NCc1ccc(OC)c(O)c1Br)C(=O)[O-] ZINC001326323464 1329747262 /nfs/dbraw/zinc/74/72/62/1329747262.db2.gz IZYHSCVZPPIQST-JTQLQIEISA-N -1 3 344.205 2.672 20 30 EFEDHM C=CCCn1cc(CN[C@@H](C(=O)[O-])C(C2CCC2)C2CCC2)nn1 ZINC001327017940 1330400690 /nfs/dbraw/zinc/40/06/90/1330400690.db2.gz OJUAOLMSZNRGER-QGZVFWFLSA-N -1 3 332.448 2.613 20 30 EFEDHM Cc1ccc([C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001331420640 1330834973 /nfs/dbraw/zinc/83/49/73/1330834973.db2.gz ZQUADEREUREALW-NSHDSACASA-N -1 3 345.380 2.703 20 30 EFEDHM C=CCCC[C@H](N)C(=O)N(CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001336693442 1331492892 /nfs/dbraw/zinc/49/28/92/1331492892.db2.gz QTGPRUQNOOOLSE-LBPRGKRZSA-N -1 3 348.472 2.819 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(NC(=O)C3CC3)cc2)c1[O-] ZINC001337252712 1331554522 /nfs/dbraw/zinc/55/45/22/1331554522.db2.gz KPIWASQWFCELES-KEBDBYFISA-N -1 3 339.395 2.556 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H]1CCc2ccccc21 ZINC001338835104 1331744379 /nfs/dbraw/zinc/74/43/79/1331744379.db2.gz VIDMGLVZICXKBI-INIZCTEOSA-N -1 3 348.410 2.750 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001338963765 1331762196 /nfs/dbraw/zinc/76/21/96/1331762196.db2.gz PZRPBXWOBZSELJ-UHFFFAOYSA-N -1 3 340.431 2.809 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001339014325 1331770079 /nfs/dbraw/zinc/77/00/79/1331770079.db2.gz GDIBIGHMQNGWQR-GFCCVEGCSA-N -1 3 329.404 2.841 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC[C@@H]1CC ZINC001339197573 1331815263 /nfs/dbraw/zinc/81/52/63/1331815263.db2.gz SJLSPSRDSKAAFO-ZDUSSCGKSA-N -1 3 328.420 2.704 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(C)(C)CC1 ZINC001339197535 1331815539 /nfs/dbraw/zinc/81/55/39/1331815539.db2.gz ROTPAUUTLCUYAJ-UHFFFAOYSA-N -1 3 328.420 2.562 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)CCCc1ccccc1 ZINC001339656119 1331922513 /nfs/dbraw/zinc/92/25/13/1331922513.db2.gz FSVGUFIFLJKUBV-UHFFFAOYSA-N -1 3 339.399 2.894 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCc2c(C)cccc2C1 ZINC001339658917 1331923958 /nfs/dbraw/zinc/92/39/58/1331923958.db2.gz WFCGYHDGZVYYBX-UHFFFAOYSA-N -1 3 337.383 2.696 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](c2ccccc2)C1 ZINC001340380719 1332184274 /nfs/dbraw/zinc/18/42/74/1332184274.db2.gz VYEYHCFNFYSMQA-AWEZNQCLSA-N -1 3 337.383 2.819 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@]2(CCSC2)C1 ZINC001340380896 1332184790 /nfs/dbraw/zinc/18/47/90/1332184790.db2.gz YASUJYOCAOVIIF-MRXNPFEDSA-N -1 3 347.444 2.548 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CCC)CCC ZINC001341740991 1332280864 /nfs/dbraw/zinc/28/08/64/1332280864.db2.gz YPLFGCJOMORAEY-UHFFFAOYSA-N -1 3 330.436 2.952 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)C1CC(C)(C)C1 ZINC001342024742 1332295824 /nfs/dbraw/zinc/29/58/24/1332295824.db2.gz GAGAKGDTPHEULN-UHFFFAOYSA-N -1 3 328.420 2.642 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001342150859 1332310535 /nfs/dbraw/zinc/31/05/35/1332310535.db2.gz VMZLEVPXLHLUKW-GZBFAFLISA-N -1 3 340.431 2.642 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001342150860 1332310631 /nfs/dbraw/zinc/31/06/31/1332310631.db2.gz VMZLEVPXLHLUKW-KCQAQPDRSA-N -1 3 340.431 2.642 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(CC)CC1CCC1 ZINC001343580380 1332359852 /nfs/dbraw/zinc/35/98/52/1332359852.db2.gz DCNWXWKOPGFLEG-UHFFFAOYSA-N -1 3 328.420 2.643 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001344126372 1332404734 /nfs/dbraw/zinc/40/47/34/1332404734.db2.gz QENDLJVUVZDKTC-SSDOTTSWSA-N -1 3 328.743 2.997 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(OCC(F)(F)F)cn1 ZINC001346096013 1332598238 /nfs/dbraw/zinc/59/82/38/1332598238.db2.gz MHDGVZNXMAKMRU-NSHDSACASA-N -1 3 338.289 2.729 20 30 EFEDHM CCCCCCCCC(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001347304608 1332732970 /nfs/dbraw/zinc/73/29/70/1332732970.db2.gz KQZNLSLIXVYQBC-HNNXBMFYSA-N -1 3 334.464 2.936 20 30 EFEDHM C#CCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001347850410 1332778307 /nfs/dbraw/zinc/77/83/07/1332778307.db2.gz KVDGMWMNKWVJBV-UHFFFAOYSA-N -1 3 340.754 2.836 20 30 EFEDHM CC(C)c1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001349811888 1333000763 /nfs/dbraw/zinc/00/07/63/1333000763.db2.gz OIHAIEUWIFIBCB-CYBMUJFWSA-N -1 3 343.383 2.575 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](c2ccccc2)C1 ZINC001351723754 1333275867 /nfs/dbraw/zinc/27/58/67/1333275867.db2.gz XFUIWZNLDRWQCU-OAHLLOKOSA-N -1 3 348.410 2.621 20 30 EFEDHM C=CCC[C@@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC=C ZINC001352063874 1333369573 /nfs/dbraw/zinc/36/95/73/1333369573.db2.gz WJCPVIDAUGOQCV-CQSZACIVSA-N -1 3 340.431 2.870 20 30 EFEDHM Cc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(Cl)c1Cl ZINC001352912805 1333800886 /nfs/dbraw/zinc/80/08/86/1333800886.db2.gz PMOWMPBHCNVUJC-VIFPVBQESA-N -1 3 332.187 2.804 20 30 EFEDHM CC1(C)Cc2cccc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c2O1 ZINC000847627689 1334030004 /nfs/dbraw/zinc/03/00/04/1334030004.db2.gz AVUIUURHGZQTIK-CQSZACIVSA-N -1 3 335.363 2.756 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(C2CC2)n[nH]1 ZINC000848016373 1334157705 /nfs/dbraw/zinc/15/77/05/1334157705.db2.gz WKZHXBDBYZHBDL-UHFFFAOYSA-N -1 3 340.383 2.552 20 30 EFEDHM C=C1CCN(c2nnc(-c3cnc[n-]c3=O)n2Cc2ccccc2)CC1 ZINC001354223489 1334180247 /nfs/dbraw/zinc/18/02/47/1334180247.db2.gz MMRGHGULXSYLPM-UHFFFAOYSA-N -1 3 348.410 2.645 20 30 EFEDHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@@H]2CCCN([O-])C2=O)C1 ZINC000848134763 1334346886 /nfs/dbraw/zinc/34/68/86/1334346886.db2.gz DNLOJRCHVQTUDJ-BZUAXINKSA-N -1 3 340.464 2.639 20 30 EFEDHM Cc1ccc2c(Cl)c(C(=O)N[C@@H]3CCCN([O-])C3=O)sc2c1 ZINC000848137395 1334349299 /nfs/dbraw/zinc/34/92/99/1334349299.db2.gz AHAVNMIHKJKNMP-SNVBAGLBSA-N -1 3 338.816 2.973 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1sc2cc(F)ccc2c1Cl ZINC000848137281 1334349502 /nfs/dbraw/zinc/34/95/02/1334349502.db2.gz CGLQHJRPIMVEIS-VIFPVBQESA-N -1 3 342.779 2.804 20 30 EFEDHM C#CC1CCN(c2nnc(CCc3cccc(Cl)c3[O-])n2C)CC1 ZINC001355283538 1334729883 /nfs/dbraw/zinc/72/98/83/1334729883.db2.gz CHBUVRUQLIELHG-UHFFFAOYSA-N -1 3 344.846 2.809 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001355958938 1334918570 /nfs/dbraw/zinc/91/85/70/1334918570.db2.gz VFPIBRBXSHNNKJ-XQQFMLRXSA-N -1 3 342.447 2.806 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@H]1CCC[C@H](C)C1 ZINC001355969630 1334920946 /nfs/dbraw/zinc/92/09/46/1334920946.db2.gz WLPULNPMIHMOOB-STQMWFEESA-N -1 3 328.420 2.642 20 30 EFEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nn1C ZINC001356058535 1334943555 /nfs/dbraw/zinc/94/35/55/1334943555.db2.gz DADWWHTYQVDFCC-LLVKDONJSA-N -1 3 330.775 2.597 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(CC)CC1 ZINC001356135280 1334968680 /nfs/dbraw/zinc/96/86/80/1334968680.db2.gz VQNDRCSEXGZHSW-UHFFFAOYSA-N -1 3 328.420 2.562 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)CCSC ZINC001356140543 1334970005 /nfs/dbraw/zinc/97/00/05/1334970005.db2.gz VHIZLNFXIFABLW-LLVKDONJSA-N -1 3 348.476 2.513 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001356463965 1335039934 /nfs/dbraw/zinc/03/99/34/1335039934.db2.gz VPJPKUUSBVSNQR-GHMZBOCLSA-N -1 3 335.433 2.545 20 30 EFEDHM C=CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl)C(C)C ZINC001357899532 1335343980 /nfs/dbraw/zinc/34/39/80/1335343980.db2.gz HQHGQOIICPJIME-UHFFFAOYSA-N -1 3 330.837 2.748 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@H](OC2CCCC2)C(F)(F)F)c1[O-] ZINC000849170082 1335563219 /nfs/dbraw/zinc/56/32/19/1335563219.db2.gz KUXATVAMNXRDHF-IYBLZUMKSA-N -1 3 346.349 2.897 20 30 EFEDHM C#CCOc1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)c1 ZINC000849307135 1335591870 /nfs/dbraw/zinc/59/18/70/1335591870.db2.gz JQYYBISXUMIMKR-QGZVFWFLSA-N -1 3 337.441 2.646 20 30 EFEDHM CO[C@@H](COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCC1 ZINC000849663161 1335685872 /nfs/dbraw/zinc/68/58/72/1335685872.db2.gz OVUUEMFYARJSQT-INIZCTEOSA-N -1 3 332.400 2.567 20 30 EFEDHM C=C1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccccc3[O-])C2)CC1 ZINC000939465520 1335885810 /nfs/dbraw/zinc/88/58/10/1335885810.db2.gz AQBVRNKRVANARJ-MRXNPFEDSA-N -1 3 342.439 2.812 20 30 EFEDHM Cc1sc([N-]C(=O)c2cnc(C3OCCO3)s2)c(C#N)c1C ZINC001361303830 1335972436 /nfs/dbraw/zinc/97/24/36/1335972436.db2.gz PKBSTPJSQHFUMT-UHFFFAOYSA-N -1 3 335.410 2.991 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nccc(C2CC2)n1 ZINC001361818806 1336356743 /nfs/dbraw/zinc/35/67/43/1336356743.db2.gz KIFYWJJAMGXTFP-UHFFFAOYSA-N -1 3 337.383 2.514 20 30 EFEDHM N#CCCn1ccc(NC(=O)c2cc([O-])cc(Br)c2)n1 ZINC001362164857 1336533709 /nfs/dbraw/zinc/53/37/09/1336533709.db2.gz JGLYQMRRAMCZTQ-UHFFFAOYSA-N -1 3 335.161 2.517 20 30 EFEDHM COc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1C#N ZINC001363191049 1336823807 /nfs/dbraw/zinc/82/38/07/1336823807.db2.gz MIAZMDWNSMZPQN-UHFFFAOYSA-N -1 3 328.324 2.542 20 30 EFEDHM C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC001363507083 1336908508 /nfs/dbraw/zinc/90/85/08/1336908508.db2.gz VBAKBHIPMVEOQX-DNVCBOLYSA-N -1 3 349.434 2.904 20 30 EFEDHM C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC001363507077 1336908643 /nfs/dbraw/zinc/90/86/43/1336908643.db2.gz VBAKBHIPMVEOQX-BEFAXECRSA-N -1 3 349.434 2.904 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C#N)c(F)c2)c(F)cc1F ZINC001363927710 1337116815 /nfs/dbraw/zinc/11/68/15/1337116815.db2.gz LHQLFHRLNXIMMX-UHFFFAOYSA-N -1 3 340.326 2.763 20 30 EFEDHM C[C@H](CN(C)Cc1ccc(C#N)cc1F)NC(=O)c1ccccc1[O-] ZINC001401728654 1363060362 /nfs/dbraw/zinc/06/03/62/1363060362.db2.gz PEMVYHCCMNWCSF-CYBMUJFWSA-N -1 3 341.386 2.653 20 30 EFEDHM CN(CCN(C)C(=O)c1ccccc1[O-])Cc1cc(C#N)ccc1F ZINC001406073361 1367182260 /nfs/dbraw/zinc/18/22/60/1367182260.db2.gz JUGGUEMKUZFAIF-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM N#Cc1cc2c(nc1[N-]C(=O)c1ncoc1-c1ccon1)CCCC2 ZINC001458337530 1395448697 /nfs/dbraw/zinc/44/86/97/1395448697.db2.gz ZRYSJJWXAFZMOZ-UHFFFAOYSA-N -1 3 335.323 2.727 20 30 EFEDHM C[C@@H](Nc1cccc(F)c1C#N)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001458453867 1395472187 /nfs/dbraw/zinc/47/21/87/1395472187.db2.gz DNDBKIHVMSLNCE-GHMZBOCLSA-N -1 3 328.347 2.873 20 30 EFEDHM N#Cc1ccc(C(=O)NCc2ccc(Nc3ccncc3)cc2)cc1[O-] ZINC001470598845 1397101591 /nfs/dbraw/zinc/10/15/91/1397101591.db2.gz KHQSAUIGSSPFRC-UHFFFAOYSA-N -1 3 344.374 2.754 20 30 EFEDHM N#Cc1cccc(-c2nc([N-]C(=O)c3noc4c3CCCCC4)n[nH]2)c1 ZINC001472635199 1397265025 /nfs/dbraw/zinc/26/50/25/1397265025.db2.gz GUXMOVXXLRZTMU-UHFFFAOYSA-N -1 3 348.366 2.853 20 30 EFEDHM CCCCN([O-])C(=O)[C@H]1CCC(=O)N(C2CC2)[C@H]1c1ccncc1 ZINC001552305689 1414417626 /nfs/dbraw/zinc/41/76/26/1414417626.db2.gz YBDDYZATLMKATK-RDJZCZTQSA-N -1 3 331.416 2.542 20 30 EFEDHM CCCCN([O-])C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccncc1 ZINC001552305688 1414417673 /nfs/dbraw/zinc/41/76/73/1414417673.db2.gz YBDDYZATLMKATK-NVXWUHKLSA-N -1 3 331.416 2.542 20 30 EFEDHM Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001553255932 1414752671 /nfs/dbraw/zinc/75/26/71/1414752671.db2.gz MGGRNNOVPLPYLQ-CZUORRHYSA-N -1 3 349.818 2.959 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001557791668 1415146144 /nfs/dbraw/zinc/14/61/44/1415146144.db2.gz RUXQFVLAYKGXPC-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001557791668 1415146147 /nfs/dbraw/zinc/14/61/47/1415146147.db2.gz RUXQFVLAYKGXPC-GFCCVEGCSA-N -1 3 332.367 2.556 20 30 EFEDHM CC(=NNc1ncccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962811 1428981460 /nfs/dbraw/zinc/98/14/60/1428981460.db2.gz PCNCVHSTSXMCIC-UHFFFAOYSA-N -1 3 331.742 2.890 20 30 EFEDHM C=CC1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000819729120 1429058087 /nfs/dbraw/zinc/05/80/87/1429058087.db2.gz CQDDOKPMTPFFCM-UHFFFAOYSA-N -1 3 335.358 2.866 20 30 EFEDHM C=CC1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000819729120 1429058089 /nfs/dbraw/zinc/05/80/89/1429058089.db2.gz CQDDOKPMTPFFCM-UHFFFAOYSA-N -1 3 335.358 2.866 20 30 EFEDHM N#CC1(NC(=O)COC(=O)c2cc3ccsc3[n-]2)CCCCC1 ZINC000023346317 712903649 /nfs/dbraw/zinc/90/36/49/712903649.db2.gz LGSCHPGJUYVFAZ-UHFFFAOYSA-N -1 3 331.397 2.729 20 30 EFEDHM COc1ccc(NCc2cccc(C#N)c2)cc1[N-]S(C)(=O)=O ZINC000158924476 717908336 /nfs/dbraw/zinc/90/83/36/717908336.db2.gz HFXMGSMJMKFOKZ-UHFFFAOYSA-N -1 3 331.397 2.550 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C(C)C)n(C)n2)cc1 ZINC000177602653 713740291 /nfs/dbraw/zinc/74/02/91/713740291.db2.gz DKYXSPSVMUWQLZ-AWEZNQCLSA-N -1 3 340.383 2.513 20 30 EFEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000177601126 713740328 /nfs/dbraw/zinc/74/03/28/713740328.db2.gz GYJYRGVYBGECOO-NSHDSACASA-N -1 3 330.365 2.726 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC000975021110 715424066 /nfs/dbraw/zinc/42/40/66/715424066.db2.gz JSZCHRHJULKCPV-AKCHCHLHSA-N -1 3 342.439 2.667 20 30 EFEDHM [O-]c1c(O)ccc(C=Nc2cc(F)cc(N3CCOCC3)c2)c1O ZINC000255500027 715447247 /nfs/dbraw/zinc/44/72/47/715447247.db2.gz QNIAVLBHMRBWAX-UHFFFAOYSA-N -1 3 332.331 2.530 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000975132297 715549497 /nfs/dbraw/zinc/54/94/97/715549497.db2.gz KEXQQLWXBMHTAR-OAHLLOKOSA-N -1 3 344.455 2.963 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000975877126 716012757 /nfs/dbraw/zinc/01/27/57/716012757.db2.gz FAHIWSSGRBUBKC-AWEZNQCLSA-N -1 3 330.428 2.715 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC000977394328 716156916 /nfs/dbraw/zinc/15/69/16/716156916.db2.gz BNSVWTDWKVDUDR-IFXJQAMLSA-N -1 3 330.428 2.667 20 30 EFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161838395 716266887 /nfs/dbraw/zinc/26/68/87/716266887.db2.gz AZZUMAABOKGEDM-SECBINFHSA-N -1 3 335.198 2.559 20 30 EFEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1nc2ccccc2s1 ZINC000255844745 717838139 /nfs/dbraw/zinc/83/81/39/717838139.db2.gz JQBRRNFJWQZMBT-JMEBYUIHSA-N -1 3 336.376 2.635 20 30 EFEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1nc2ccccc2s1 ZINC000255844745 717838144 /nfs/dbraw/zinc/83/81/44/717838144.db2.gz JQBRRNFJWQZMBT-JMEBYUIHSA-N -1 3 336.376 2.635 20 30 EFEDHM CN(CCc1ccccn1)C(=O)C/N=C/c1cc(Cl)ccc1[O-] ZINC000066255568 718171147 /nfs/dbraw/zinc/17/11/47/718171147.db2.gz LBNMYCLJYIYCFC-YBFXNURJSA-N -1 3 331.803 2.561 20 30 EFEDHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@@H](C#N)C1CCCC1 ZINC000893710796 719901389 /nfs/dbraw/zinc/90/13/89/719901389.db2.gz VVLUEXWUQNMDSX-HNNXBMFYSA-N -1 3 335.354 2.935 20 30 EFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCCc2sccc21 ZINC000330097923 720828179 /nfs/dbraw/zinc/82/81/79/720828179.db2.gz BGZVLAZQXADWNQ-QMMMGPOBSA-N -1 3 345.350 2.966 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000983239788 721932903 /nfs/dbraw/zinc/93/29/03/721932903.db2.gz ZAIBMJWLBAKLAU-IFXJQAMLSA-N -1 3 330.428 2.573 20 30 EFEDHM CCCCOc1cc(C=[NH+][N-]c2ncnc3[n-]cnc32)ccc1OC ZINC000917555072 728759268 /nfs/dbraw/zinc/75/92/68/728759268.db2.gz PBHAZNVEANEQLC-UHFFFAOYSA-N -1 3 340.387 2.986 20 30 EFEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccccc1Br ZINC000917554741 728759438 /nfs/dbraw/zinc/75/94/38/728759438.db2.gz FBNQQIOXOUKGMB-UHFFFAOYSA-N -1 3 331.177 2.952 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC000983519175 722678089 /nfs/dbraw/zinc/67/80/89/722678089.db2.gz CTLLRXOHMGCLCR-CABCVRRESA-N -1 3 342.439 2.906 20 30 EFEDHM C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059195551 722886403 /nfs/dbraw/zinc/88/64/03/722886403.db2.gz FRZCQCMCMBTRNF-OAHLLOKOSA-N -1 3 330.428 2.717 20 30 EFEDHM O=C1[C@H](NCc2cccc(Br)c2Cl)CCCN1[O-] ZINC000895157091 723484358 /nfs/dbraw/zinc/48/43/58/723484358.db2.gz MRFAUQCNGQJHHI-SNVBAGLBSA-N -1 3 333.613 2.572 20 30 EFEDHM O=C1[C@H](NCc2cc(Br)ccc2Cl)CCCN1[O-] ZINC000895165796 723508642 /nfs/dbraw/zinc/50/86/42/723508642.db2.gz MYGOWQUPPIVHDJ-LLVKDONJSA-N -1 3 333.613 2.572 20 30 EFEDHM CO[C@@H]1COCC[C@@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000840704990 723512488 /nfs/dbraw/zinc/51/24/88/723512488.db2.gz BJKLZBBICNXESE-CGQPYBHSSA-N -1 3 328.206 2.625 20 30 EFEDHM COCCOC1(C/N=C\c2cc(Cl)ccc2[O-])CCOCC1 ZINC000840705982 723553453 /nfs/dbraw/zinc/55/34/53/723553453.db2.gz GSQVWMSFZRIXNL-WQRHYEAKSA-N -1 3 327.808 2.677 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(OC(F)F)c(F)c2)c1[O-] ZINC000840707769 723795898 /nfs/dbraw/zinc/79/58/98/723795898.db2.gz YIQPYFSHBJKCPE-IFRROFPPSA-N -1 3 340.301 2.948 20 30 EFEDHM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc([O-])c(F)c1 ZINC000728427110 724013180 /nfs/dbraw/zinc/01/31/80/724013180.db2.gz ITTSCGFTDKIICT-UHFFFAOYSA-N -1 3 336.388 2.851 20 30 EFEDHM CC(C)(CC/N=C/c1cc(Br)ccc1[O-])S(C)(=O)=O ZINC000840714382 724056225 /nfs/dbraw/zinc/05/62/25/724056225.db2.gz ZRNHUTCVDRQLDJ-OQLLNIDSSA-N -1 3 348.262 2.787 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)c1 ZINC000127149454 724210895 /nfs/dbraw/zinc/21/08/95/724210895.db2.gz CKUIQRLASMAVRZ-OAHLLOKOSA-N -1 3 334.335 2.533 20 30 EFEDHM COc1cc(C=NNCCCOc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000729147466 725460060 /nfs/dbraw/zinc/46/00/60/725460060.db2.gz CVGWUCNSYHPOIV-UHFFFAOYSA-N -1 3 345.355 2.702 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1OC ZINC000130057820 725476836 /nfs/dbraw/zinc/47/68/36/725476836.db2.gz XCDCJIDJKOWNQQ-CYBMUJFWSA-N -1 3 328.324 2.566 20 30 EFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cncc(F)c1 ZINC000151617917 725792601 /nfs/dbraw/zinc/79/26/01/725792601.db2.gz ZMYBMUPIDIJUJH-NSHDSACASA-N -1 3 335.697 2.974 20 30 EFEDHM C[C@@H]1C[C@@H](NCc2ccccc2C#N)CN1C(=O)c1ccccc1[O-] ZINC000988166181 726102508 /nfs/dbraw/zinc/10/25/08/726102508.db2.gz NVJJLIZGZHUCHL-RHSMWYFYSA-N -1 3 335.407 2.657 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC000988177090 726106977 /nfs/dbraw/zinc/10/69/77/726106977.db2.gz DYWHUZZLPVLCMF-OAHLLOKOSA-N -1 3 344.455 2.915 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC(CN(C)C(=O)c2ccccc2[O-])CC1 ZINC000988592235 726404657 /nfs/dbraw/zinc/40/46/57/726404657.db2.gz NYIVKNJXJVMUJO-UHFFFAOYSA-N -1 3 344.455 2.915 20 30 EFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@@](F)(C#N)C2)s1 ZINC000907634362 726979053 /nfs/dbraw/zinc/97/90/53/726979053.db2.gz AQWPQAYICPQJBB-CQSZACIVSA-N -1 3 340.380 2.568 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1cncc([O-])c1 ZINC000732392454 727064074 /nfs/dbraw/zinc/06/40/74/727064074.db2.gz VYKQZGSPBFLAKC-LBPRGKRZSA-N -1 3 346.408 2.609 20 30 EFEDHM C=CCC[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908751083 727256610 /nfs/dbraw/zinc/25/66/10/727256610.db2.gz ISCRQKKXDJSNTK-SJORKVTESA-N -1 3 345.443 2.542 20 30 EFEDHM N#CC1(CCCCOC(=O)CNC(=O)c2ccc([O-])cc2)CCC1 ZINC000908982592 727301654 /nfs/dbraw/zinc/30/16/54/727301654.db2.gz QMMZYSZZQCRNCP-UHFFFAOYSA-N -1 3 330.384 2.529 20 30 EFEDHM N#CC1(CCCCOC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCC1 ZINC000908993413 727303849 /nfs/dbraw/zinc/30/38/49/727303849.db2.gz LUGQESVTEKMNLW-UHFFFAOYSA-N -1 3 326.352 2.591 20 30 EFEDHM C=CCN1CCC(Nc2nc(C(F)(F)F)ccc2C(=O)[O-])CC1 ZINC000910289024 727428069 /nfs/dbraw/zinc/42/80/69/727428069.db2.gz XHAKHSLSANBRIX-UHFFFAOYSA-N -1 3 329.322 2.861 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000993773552 727520487 /nfs/dbraw/zinc/52/04/87/727520487.db2.gz UPGADGADOFCQQE-SXGZJXTBSA-N -1 3 344.455 2.819 20 30 EFEDHM COc1cc(C=NNCc2ccc(F)c(F)c2)c([N+](=O)[O-])cc1[O-] ZINC000915975078 727644530 /nfs/dbraw/zinc/64/45/30/727644530.db2.gz NXSIMPAHPQLENJ-UHFFFAOYSA-N -1 3 337.282 2.711 20 30 EFEDHM COc1cc(C(=O)/C=C\c2cnc(N3CCCC3)nc2)ccc1[O-] ZINC000915984036 727645245 /nfs/dbraw/zinc/64/52/45/727645245.db2.gz FSBMFOAXUIIAQX-XQRVVYSFSA-N -1 3 325.368 2.687 20 30 EFEDHM COc1ccc2[nH]cc(CC/N=C\c3c([O-])c(C)ncc3CO)c2c1 ZINC000733081162 727662512 /nfs/dbraw/zinc/66/25/12/727662512.db2.gz PSBBWOSAIRQURS-JMIUGGIZSA-N -1 3 339.395 2.739 20 30 EFEDHM C[C@@]1(c2ccccc2)NC(=O)N(N=Cc2cc(Cl)ccc2[O-])C1=O ZINC000916329117 727675827 /nfs/dbraw/zinc/67/58/27/727675827.db2.gz ZFIUCAUPXLDFHC-KRWDZBQOSA-N -1 3 343.770 2.847 20 30 EFEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccccc1 ZINC000916321437 727676918 /nfs/dbraw/zinc/67/69/18/727676918.db2.gz ZFYGNOWYWMLAES-HNNXBMFYSA-N -1 3 338.392 2.962 20 30 EFEDHM CC(C)(C)NC(=S)NN=Cc1cc(Br)ccc1[O-] ZINC000916343527 727678072 /nfs/dbraw/zinc/67/80/72/727678072.db2.gz HCQAYSYAZACYGQ-UHFFFAOYSA-N -1 3 330.251 2.751 20 30 EFEDHM COc1cc(C=NNC(=S)NCCC(C)C)cc(Cl)c1[O-] ZINC000916352335 727678750 /nfs/dbraw/zinc/67/87/50/727678750.db2.gz MPZAJWAMQCBKRZ-UHFFFAOYSA-N -1 3 329.853 2.898 20 30 EFEDHM COC(=O)c1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1Cl ZINC000912787428 727743324 /nfs/dbraw/zinc/74/33/24/727743324.db2.gz RQRXPMUHXNZOIN-UHFFFAOYSA-N -1 3 334.759 2.779 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSCc1ccco1 ZINC000151029630 727769220 /nfs/dbraw/zinc/76/92/20/727769220.db2.gz MUXGUCODANVEQD-YSKGHYERSA-N -1 3 327.365 2.769 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(F)c(F)c1 ZINC000129870002 728353771 /nfs/dbraw/zinc/35/37/71/728353771.db2.gz DZZJWNZSKJPEHY-NSHDSACASA-N -1 3 330.290 2.935 20 30 EFEDHM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OCCOCC)cc2)c1 ZINC000063442679 728626670 /nfs/dbraw/zinc/62/66/70/728626670.db2.gz CUPPMVAGTVXEIU-UHFFFAOYSA-N -1 3 345.420 2.884 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000939482475 728963130 /nfs/dbraw/zinc/96/31/30/728963130.db2.gz NSGBGCRYORQWIS-KUHUBIRLSA-N -1 3 330.428 2.667 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(-n3ccnc3)c(F)c2)c1[O-] ZINC000920386492 729178137 /nfs/dbraw/zinc/17/81/37/729178137.db2.gz ANMQIVYYOQENBQ-ZVBGSRNCSA-N -1 3 340.358 2.532 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1OC ZINC000175112083 729478542 /nfs/dbraw/zinc/47/85/42/729478542.db2.gz HUWDDWFQLJXLSJ-CYBMUJFWSA-N -1 3 342.351 2.875 20 30 EFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820005714 945326569 /nfs/dbraw/zinc/32/65/69/945326569.db2.gz XEIKONKVIAAGGK-UHFFFAOYSA-N -1 3 349.350 2.501 20 30 EFEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820005714 945326577 /nfs/dbraw/zinc/32/65/77/945326577.db2.gz XEIKONKVIAAGGK-UHFFFAOYSA-N -1 3 349.350 2.501 20 30 EFEDHM C#Cc1cccc(N(C)CCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735391395 944644801 /nfs/dbraw/zinc/64/48/01/944644801.db2.gz RVKCTIWGNLLIKM-UHFFFAOYSA-N -1 3 333.395 2.753 20 30 EFEDHM C#C[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC001573281526 946677221 /nfs/dbraw/zinc/67/72/21/946677221.db2.gz ZLAIQEQAXUXNMO-ZDUSSCGKSA-N -1 3 328.738 2.841 20 30 EFEDHM C#C[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC001573281526 946677225 /nfs/dbraw/zinc/67/72/25/946677225.db2.gz ZLAIQEQAXUXNMO-ZDUSSCGKSA-N -1 3 328.738 2.841 20 30 EFEDHM C#C[C@H](Nc1cc(Br)c(-c2nnn[n-]2)cc1F)C(C)C ZINC001573281480 946677375 /nfs/dbraw/zinc/67/73/75/946677375.db2.gz YYTNSHHXNLRREX-NSHDSACASA-N -1 3 338.184 2.838 20 30 EFEDHM C#C[C@H](Nc1cc(Br)c(-c2nn[n-]n2)cc1F)C(C)C ZINC001573281480 946677381 /nfs/dbraw/zinc/67/73/81/946677381.db2.gz YYTNSHHXNLRREX-NSHDSACASA-N -1 3 338.184 2.838 20 30 EFEDHM C#CCOc1cccc(OC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)c1 ZINC001573287606 946842378 /nfs/dbraw/zinc/84/23/78/946842378.db2.gz DRGXVUSPGRCGLY-UHFFFAOYSA-N -1 3 348.362 2.715 20 30 EFEDHM C#CCOc1cccc(OC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC001573287606 946842387 /nfs/dbraw/zinc/84/23/87/946842387.db2.gz DRGXVUSPGRCGLY-UHFFFAOYSA-N -1 3 348.362 2.715 20 30 EFEDHM C=C(C)CN(C)c1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001573294040 946974204 /nfs/dbraw/zinc/97/42/04/946974204.db2.gz RZEKMRWIXHFPDI-UHFFFAOYSA-N -1 3 333.399 2.988 20 30 EFEDHM C=C(C)CN(C)c1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001573294040 946974214 /nfs/dbraw/zinc/97/42/14/946974214.db2.gz RZEKMRWIXHFPDI-UHFFFAOYSA-N -1 3 333.399 2.988 20 30 EFEDHM C=C(C)[C@H](CO)Sc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC001573298059 947069052 /nfs/dbraw/zinc/06/90/52/947069052.db2.gz AHDKEMYSZSAFHT-HNNXBMFYSA-N -1 3 339.424 2.958 20 30 EFEDHM C=C(C)[C@H](CO)Sc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC001573298059 947069063 /nfs/dbraw/zinc/06/90/63/947069063.db2.gz AHDKEMYSZSAFHT-HNNXBMFYSA-N -1 3 339.424 2.958 20 30 EFEDHM C=C[C@@H](CC)CC(=O)N[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573316617 947278249 /nfs/dbraw/zinc/27/82/49/947278249.db2.gz XHBQIDXEWGLGOG-NEPJUHHUSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@@H](CC)CC(=O)N[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573316617 947278258 /nfs/dbraw/zinc/27/82/58/947278258.db2.gz XHBQIDXEWGLGOG-NEPJUHHUSA-N -1 3 346.410 2.525 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001573329463 947420616 /nfs/dbraw/zinc/42/06/16/947420616.db2.gz KCNWVSNBCRBZSX-SWLSCSKDSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001573329463 947420624 /nfs/dbraw/zinc/42/06/24/947420624.db2.gz KCNWVSNBCRBZSX-SWLSCSKDSA-N -1 3 341.415 2.740 20 30 EFEDHM COc1c(O)cccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826166950 947526209 /nfs/dbraw/zinc/52/62/09/947526209.db2.gz IXYKTTSMBPUNBU-VURMDHGXSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1c(O)cccc1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826166950 947526216 /nfs/dbraw/zinc/52/62/16/947526216.db2.gz IXYKTTSMBPUNBU-VURMDHGXSA-N -1 3 340.314 2.616 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCCOc1ccccc1C#N ZINC000826242944 947720490 /nfs/dbraw/zinc/72/04/90/947720490.db2.gz MWNVEFHPOQFWBU-UHFFFAOYSA-N -1 3 335.367 2.813 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000826251059 947729654 /nfs/dbraw/zinc/72/96/54/947729654.db2.gz DEJXQYKUVFUQFJ-OAHLLOKOSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000826251059 947729661 /nfs/dbraw/zinc/72/96/61/947729661.db2.gz DEJXQYKUVFUQFJ-OAHLLOKOSA-N -1 3 325.372 2.804 20 30 EFEDHM C[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C(=O)[O-] ZINC001589352814 954092313 /nfs/dbraw/zinc/09/23/13/954092313.db2.gz GCGVLYZJDJANDQ-WFASDCNBSA-N -1 3 341.329 2.979 20 30 EFEDHM N#Cc1ccc(Br)c(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001594617057 956245281 /nfs/dbraw/zinc/24/52/81/956245281.db2.gz BJRPPPURSHQGBE-UONOGXRCSA-N -1 3 349.228 2.863 20 30 EFEDHM C[C@@H](NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1)c1ccc(C#N)cc1F ZINC001603248240 972410914 /nfs/dbraw/zinc/41/09/14/972410914.db2.gz VIFDQADKMIRGBC-AJOZBUNDSA-N -1 3 332.375 2.760 20 30 EFEDHM C[C@H](NC[C@H]1CCC2(CC(C(=O)[O-])C2)O1)c1ccc(C#N)cc1F ZINC001603248249 972411449 /nfs/dbraw/zinc/41/14/49/972411449.db2.gz VIFDQADKMIRGBC-FLLOGLIKSA-N -1 3 332.375 2.760 20 30 EFEDHM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@H]2CCCO2)cc1F ZINC001571211343 962458195 /nfs/dbraw/zinc/45/81/95/962458195.db2.gz GIHBOSNVDVHEJF-IAOVAPTHSA-N -1 3 332.375 2.542 20 30 EFEDHM C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC001592458843 978174960 /nfs/dbraw/zinc/17/49/60/978174960.db2.gz GIVUVWANAYHOBP-ZDUSSCGKSA-N -1 3 343.427 2.846 20 30 EFEDHM C[C@](CCF)(NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC001592507818 978329549 /nfs/dbraw/zinc/32/95/49/978329549.db2.gz WLVWCRRNRXWOCO-CYBMUJFWSA-N -1 3 329.169 2.613 20 30 EFEDHM N#Cc1ccc([C@@H](NCc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000739108728 978617966 /nfs/dbraw/zinc/61/79/66/978617966.db2.gz WOCRGFPNKRBHJR-GOSISDBHSA-N -1 3 338.363 2.635 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)[O-])sc2C)CC1 ZINC001588584761 983662115 /nfs/dbraw/zinc/66/21/15/983662115.db2.gz GPASSIYMKNKJEV-UHFFFAOYSA-N -1 3 337.445 2.917 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)CC1 ZINC001588585375 983663163 /nfs/dbraw/zinc/66/31/63/983663163.db2.gz OPRFRAIYXLRBRT-UHFFFAOYSA-N -1 3 349.406 2.994 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001588621802 983721022 /nfs/dbraw/zinc/72/10/22/983721022.db2.gz KESIWZFCQKISPT-QGZVFWFLSA-N -1 3 330.428 2.751 20 30 EFEDHM C=C[C@H](NCc1cccc(NC(=O)c2ccc(F)cc2)c1)C(=O)[O-] ZINC001588701777 983916030 /nfs/dbraw/zinc/91/60/30/983916030.db2.gz ZENKCLDDRVDRRQ-INIZCTEOSA-N -1 3 328.343 2.807 20 30 EFEDHM C=C[C@@H](NCc1cccc(NC(=O)c2ccc(F)cc2)c1)C(=O)[O-] ZINC001588701778 983916179 /nfs/dbraw/zinc/91/61/79/983916179.db2.gz ZENKCLDDRVDRRQ-MRXNPFEDSA-N -1 3 328.343 2.807 20 30 EFEDHM C=CCN(C)CCN(CC)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001588822749 984290952 /nfs/dbraw/zinc/29/09/52/984290952.db2.gz NLDAOMHXWGUMLU-VQHVLOKHSA-N -1 3 333.388 2.637 20 30 EFEDHM C=CCN(CCOC)Cc1ccc(C(=O)[O-])c(Br)c1 ZINC001588828525 984306989 /nfs/dbraw/zinc/30/69/89/984306989.db2.gz ACAZXQNQUXGRAH-UHFFFAOYSA-N -1 3 328.206 2.782 20 30 EFEDHM C=CCN(CCOc1ccc(C(=O)[O-])cc1Cl)[C@@H](C)COC ZINC001588828660 984308237 /nfs/dbraw/zinc/30/82/37/984308237.db2.gz HLRHFAPRDJJNQZ-LBPRGKRZSA-N -1 3 327.808 2.940 20 30 EFEDHM C=CCN1CCC(Nc2ncc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001588838594 984339292 /nfs/dbraw/zinc/33/92/92/984339292.db2.gz HBLJJDHSSPFFPJ-UHFFFAOYSA-N -1 3 329.322 2.861 20 30 EFEDHM C=CCN1CCC(Nc2cc(C(F)(F)F)c(C(=O)[O-])cn2)CC1 ZINC001588838751 984340909 /nfs/dbraw/zinc/34/09/09/984340909.db2.gz IQIKLRFKZJGSMR-UHFFFAOYSA-N -1 3 329.322 2.861 20 30 EFEDHM C=CCOC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC001588866436 984425039 /nfs/dbraw/zinc/42/50/39/984425039.db2.gz PKXYVGZYGMYIGB-QGZVFWFLSA-N -1 3 327.380 2.805 20 30 EFEDHM C=CCc1cc(CN[C@@H](CC(F)(F)F)C(=O)[O-])cc(OC)c1O ZINC001588885497 984468313 /nfs/dbraw/zinc/46/83/13/984468313.db2.gz NIGRBMNIYKEOBD-NSHDSACASA-N -1 3 333.306 2.625 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNCc2ccc(C(=O)[O-])n2C)c1 ZINC001594724889 987223583 /nfs/dbraw/zinc/22/35/83/987223583.db2.gz FCSYUKJQSOAMMW-OAHLLOKOSA-N -1 3 327.384 2.694 20 30 EFEDHM CC(C)(C)C1=CCN(CCNc2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001589726507 987909866 /nfs/dbraw/zinc/90/98/66/987909866.db2.gz ICBHSLKAWWVFCV-UHFFFAOYSA-N -1 3 328.416 2.742 20 30 EFEDHM CN(Cc1ccc(F)cc1C(=O)[O-])C[C@@H](O)c1cccc(C#N)c1 ZINC001598518466 992648449 /nfs/dbraw/zinc/64/84/49/992648449.db2.gz FFMRPCGDQYAQQQ-QGZVFWFLSA-N -1 3 328.343 2.561 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC001593190468 994122086 /nfs/dbraw/zinc/12/20/86/994122086.db2.gz OOGSBNAHJFPCLV-KZNWIGSXSA-N -1 3 342.420 2.772 20 30 EFEDHM C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593232039 994381126 /nfs/dbraw/zinc/38/11/26/994381126.db2.gz SOMSTSVREKJMTK-CQSZACIVSA-N -1 3 327.355 2.991 20 30 EFEDHM CC1(C)CCC[C@@](NCc2c(C#N)cccc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC001593894287 996746573 /nfs/dbraw/zinc/74/65/73/996746573.db2.gz AODKRINGMFPYJQ-KRWDZBQOSA-N -1 3 331.372 2.980 20 30 EFEDHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1O ZINC001599406282 997308058 /nfs/dbraw/zinc/30/80/58/997308058.db2.gz XRXMXTUGJWXOLJ-QGZVFWFLSA-N -1 3 326.352 2.530 20 30 EFEDHM COc1cc(OC)cc([C@H](NCc2ccc(CC#N)cc2)C(=O)[O-])c1 ZINC001599454094 998158101 /nfs/dbraw/zinc/15/81/01/998158101.db2.gz WZXUNBNSPQPSFN-SFHVURJKSA-N -1 3 340.379 2.685 20 30 EFEDHM COc1cc(OC)cc([C@@H](NCc2ccc(CC#N)cc2)C(=O)[O-])c1 ZINC001599454092 998158215 /nfs/dbraw/zinc/15/82/15/998158215.db2.gz WZXUNBNSPQPSFN-GOSISDBHSA-N -1 3 340.379 2.685 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cncc(OCC(F)F)c2)nc(C)n1 ZINC001646833423 1088342309 /nfs/dbraw/zinc/34/23/09/1088342309.db2.gz LXOZWWSDHJZZFT-CYBMUJFWSA-N -1 3 332.310 2.622 20 30 EFEDHM COCc1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)cc1 ZINC001647128848 1088962626 /nfs/dbraw/zinc/96/26/26/1088962626.db2.gz PFAKTPAYVJZVBG-UHFFFAOYSA-N -1 3 332.381 2.536 20 30 EFEDHM CCCCCCCNC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001577505894 1090017702 /nfs/dbraw/zinc/01/77/02/1090017702.db2.gz OUTFVXWLBZFFIO-UHFFFAOYSA-N -1 3 330.436 2.633 20 30 EFEDHM CCCCCCCNC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001577505894 1090017714 /nfs/dbraw/zinc/01/77/14/1090017714.db2.gz OUTFVXWLBZFFIO-UHFFFAOYSA-N -1 3 330.436 2.633 20 30 EFEDHM CCCCCCCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001577506515 1090018993 /nfs/dbraw/zinc/01/89/93/1090018993.db2.gz WMJPVBABPYKACV-UHFFFAOYSA-N -1 3 337.449 2.506 20 30 EFEDHM CCCCCCCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001577506515 1090019003 /nfs/dbraw/zinc/01/90/03/1090019003.db2.gz WMJPVBABPYKACV-UHFFFAOYSA-N -1 3 337.449 2.506 20 30 EFEDHM CCc1ccc2c(c1)CN(c1c(C#N)cccc1-c1nnn[n-]1)CC2 ZINC001578527167 1090391710 /nfs/dbraw/zinc/39/17/10/1090391710.db2.gz LSZDXQRKRGJQQO-UHFFFAOYSA-N -1 3 330.395 2.863 20 30 EFEDHM CCc1ccc2c(c1)CN(c1c(C#N)cccc1-c1nn[n-]n1)CC2 ZINC001578527167 1090391715 /nfs/dbraw/zinc/39/17/15/1090391715.db2.gz LSZDXQRKRGJQQO-UHFFFAOYSA-N -1 3 330.395 2.863 20 30 EFEDHM C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C[C@@H]1c1ccccc1 ZINC001580456505 1090907196 /nfs/dbraw/zinc/90/71/96/1090907196.db2.gz BRJHLUZYSORABJ-APWZRJJASA-N -1 3 344.378 2.871 20 30 EFEDHM C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C[C@@H]1c1ccccc1 ZINC001580456505 1090907202 /nfs/dbraw/zinc/90/72/02/1090907202.db2.gz BRJHLUZYSORABJ-APWZRJJASA-N -1 3 344.378 2.871 20 30 EFEDHM Cc1c(NC(=O)C(C)(C)c2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC001580557933 1090947309 /nfs/dbraw/zinc/94/73/09/1090947309.db2.gz PVLNTVQGFTUUAB-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1c(NC(=O)C(C)(C)c2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC001580557933 1090947312 /nfs/dbraw/zinc/94/73/12/1090947312.db2.gz PVLNTVQGFTUUAB-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001580619933 1090969652 /nfs/dbraw/zinc/96/96/52/1090969652.db2.gz MDBGSJBCFKAUAN-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC001580619933 1090969654 /nfs/dbraw/zinc/96/96/54/1090969654.db2.gz MDBGSJBCFKAUAN-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(Cl)cc1C#N ZINC001580621467 1090970024 /nfs/dbraw/zinc/97/00/24/1090970024.db2.gz YTIBYXRYXICFRS-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Cl)cc1C#N ZINC001580621467 1090970028 /nfs/dbraw/zinc/97/00/28/1090970028.db2.gz YTIBYXRYXICFRS-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cc(NC(=O)N(C)Cc2cccc(C#N)c2)cc(-c2nnn[n-]2)c1 ZINC001580980567 1091054468 /nfs/dbraw/zinc/05/44/68/1091054468.db2.gz GCNTYDBQLIKILW-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1cc(NC(=O)N(C)Cc2cccc(C#N)c2)cc(-c2nn[n-]n2)c1 ZINC001580980567 1091054473 /nfs/dbraw/zinc/05/44/73/1091054473.db2.gz GCNTYDBQLIKILW-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1O[C@H](C)C#N ZINC001581135917 1091081384 /nfs/dbraw/zinc/08/13/84/1091081384.db2.gz VDSGCHICMQLGBR-GFCCVEGCSA-N -1 3 348.366 2.718 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1O[C@H](C)C#N ZINC001581135917 1091081392 /nfs/dbraw/zinc/08/13/92/1091081392.db2.gz VDSGCHICMQLGBR-GFCCVEGCSA-N -1 3 348.366 2.718 20 30 EFEDHM N#Cc1ccc(CC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001581869090 1091325105 /nfs/dbraw/zinc/32/51/05/1091325105.db2.gz IICNMPDHDRDMSH-UHFFFAOYSA-N -1 3 335.392 2.642 20 30 EFEDHM N#Cc1ccc(CC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001581869090 1091325116 /nfs/dbraw/zinc/32/51/16/1091325116.db2.gz IICNMPDHDRDMSH-UHFFFAOYSA-N -1 3 335.392 2.642 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)cc1 ZINC001581869392 1091325991 /nfs/dbraw/zinc/32/59/91/1091325991.db2.gz WIALRNPEOSUOJJ-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)cc1 ZINC001581869392 1091325999 /nfs/dbraw/zinc/32/59/99/1091325999.db2.gz WIALRNPEOSUOJJ-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(Sc2nnccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC001581874183 1091328750 /nfs/dbraw/zinc/32/87/50/1091328750.db2.gz HQHFQABKSRNQMT-UHFFFAOYSA-N -1 3 349.301 2.698 20 30 EFEDHM N#Cc1cccc(COc2nc3c(cc2-c2nnn[n-]2)CCCCC3)c1 ZINC001581875039 1091329482 /nfs/dbraw/zinc/32/94/82/1091329482.db2.gz STECCBIJFCWZPS-UHFFFAOYSA-N -1 3 346.394 2.981 20 30 EFEDHM N#Cc1cccc(COc2nc3c(cc2-c2nn[n-]n2)CCCCC3)c1 ZINC001581875039 1091329487 /nfs/dbraw/zinc/32/94/87/1091329487.db2.gz STECCBIJFCWZPS-UHFFFAOYSA-N -1 3 346.394 2.981 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nn(C)c2ccccc12 ZINC001586356725 1092726600 /nfs/dbraw/zinc/72/66/00/1092726600.db2.gz MFNDWYLPTQVQRH-UHFFFAOYSA-N -1 3 349.394 2.734 20 30 EFEDHM C#C[C@](C)(CC)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588325044 1092922363 /nfs/dbraw/zinc/92/23/63/1092922363.db2.gz DQTKVPRWBUFYRB-QGZVFWFLSA-N -1 3 339.424 2.922 20 30 EFEDHM C#C[C@](C)(CC)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588325044 1092922374 /nfs/dbraw/zinc/92/23/74/1092922374.db2.gz DQTKVPRWBUFYRB-QGZVFWFLSA-N -1 3 339.424 2.922 20 30 EFEDHM C#CCC(C)(C)COC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588331111 1092924841 /nfs/dbraw/zinc/92/48/41/1092924841.db2.gz KGHIYOHVXHCDIT-ZDUSSCGKSA-N -1 3 326.400 2.638 20 30 EFEDHM C#CCC(C)(C)COC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588331111 1092924852 /nfs/dbraw/zinc/92/48/52/1092924852.db2.gz KGHIYOHVXHCDIT-ZDUSSCGKSA-N -1 3 326.400 2.638 20 30 EFEDHM C#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588327961 1092925961 /nfs/dbraw/zinc/92/59/61/1092925961.db2.gz VRUMESQHLHTBKB-XLNAKTSKSA-N -1 3 347.353 2.510 20 30 EFEDHM C#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588327961 1092925971 /nfs/dbraw/zinc/92/59/71/1092925971.db2.gz VRUMESQHLHTBKB-XLNAKTSKSA-N -1 3 347.353 2.510 20 30 EFEDHM C#C[C@H](NC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588329286 1092926462 /nfs/dbraw/zinc/92/64/62/1092926462.db2.gz CCXPRADXISZPOA-LBPRGKRZSA-N -1 3 342.359 2.563 20 30 EFEDHM C#C[C@H](NC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588329286 1092926464 /nfs/dbraw/zinc/92/64/64/1092926464.db2.gz CCXPRADXISZPOA-LBPRGKRZSA-N -1 3 342.359 2.563 20 30 EFEDHM C#C[C@@H](Nc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC001588328941 1092927084 /nfs/dbraw/zinc/92/70/84/1092927084.db2.gz UICBUINWHKVXSN-CYBMUJFWSA-N -1 3 338.302 2.700 20 30 EFEDHM C#C[C@@H](Nc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC001588328941 1092927095 /nfs/dbraw/zinc/92/70/95/1092927095.db2.gz UICBUINWHKVXSN-CYBMUJFWSA-N -1 3 338.302 2.700 20 30 EFEDHM C#CCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588336590 1092929292 /nfs/dbraw/zinc/92/92/92/1092929292.db2.gz QNUIGQZWHPCEBT-UHFFFAOYSA-N -1 3 325.416 2.655 20 30 EFEDHM C#CCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588336590 1092929299 /nfs/dbraw/zinc/92/92/99/1092929299.db2.gz QNUIGQZWHPCEBT-UHFFFAOYSA-N -1 3 325.416 2.655 20 30 EFEDHM C#C[C@H]1CCCCN1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588333086 1092929438 /nfs/dbraw/zinc/92/94/38/1092929438.db2.gz YDKBXMICLOYALE-AWEZNQCLSA-N -1 3 336.399 2.764 20 30 EFEDHM C#C[C@H]1CCCCN1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588333086 1092929445 /nfs/dbraw/zinc/92/94/45/1092929445.db2.gz YDKBXMICLOYALE-AWEZNQCLSA-N -1 3 336.399 2.764 20 30 EFEDHM C#CC[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC001588337600 1092929673 /nfs/dbraw/zinc/92/96/73/1092929673.db2.gz SWGDGBAUBNWHRF-JTQLQIEISA-N -1 3 340.337 2.543 20 30 EFEDHM C#CC[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC001588337600 1092929678 /nfs/dbraw/zinc/92/96/78/1092929678.db2.gz SWGDGBAUBNWHRF-JTQLQIEISA-N -1 3 340.337 2.543 20 30 EFEDHM C#C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)C1 ZINC001588332709 1092929937 /nfs/dbraw/zinc/92/99/37/1092929937.db2.gz QJSDJDSTVIZWKE-GFCCVEGCSA-N -1 3 336.374 2.712 20 30 EFEDHM C#C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)C1 ZINC001588332709 1092929949 /nfs/dbraw/zinc/92/99/49/1092929949.db2.gz QJSDJDSTVIZWKE-GFCCVEGCSA-N -1 3 336.374 2.712 20 30 EFEDHM C#CCCNC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001588346584 1092931191 /nfs/dbraw/zinc/93/11/91/1092931191.db2.gz CEGHAWLEWVTDPT-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM C#CCCNC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001588346584 1092931195 /nfs/dbraw/zinc/93/11/95/1092931195.db2.gz CEGHAWLEWVTDPT-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC001588346892 1092931367 /nfs/dbraw/zinc/93/13/67/1092931367.db2.gz BFJSDVZBGZWSGU-UHFFFAOYSA-N -1 3 347.378 2.830 20 30 EFEDHM C#CCCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC001588346892 1092931372 /nfs/dbraw/zinc/93/13/72/1092931372.db2.gz BFJSDVZBGZWSGU-UHFFFAOYSA-N -1 3 347.378 2.830 20 30 EFEDHM C#CCOc1ccccc1NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001588363211 1092932238 /nfs/dbraw/zinc/93/22/38/1092932238.db2.gz RSEBUYJKMWRGIE-UHFFFAOYSA-N -1 3 347.378 2.748 20 30 EFEDHM C#CCOc1ccccc1NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001588363211 1092932248 /nfs/dbraw/zinc/93/22/48/1092932248.db2.gz RSEBUYJKMWRGIE-UHFFFAOYSA-N -1 3 347.378 2.748 20 30 EFEDHM C#CCN(Cc1ccc(-c2nnn[n-]2)o1)[C@H]1CCCc2ccccc21 ZINC001588350563 1092932468 /nfs/dbraw/zinc/93/24/68/1092932468.db2.gz FAWQUFSBWGOLTC-KRWDZBQOSA-N -1 3 333.395 2.973 20 30 EFEDHM C#CCN(C(=O)Nc1scc(C)c1-c1nnn[n-]1)C1CCCC1 ZINC001588348426 1092932562 /nfs/dbraw/zinc/93/25/62/1092932562.db2.gz VPCBIGROAGVVMZ-UHFFFAOYSA-N -1 3 330.417 2.646 20 30 EFEDHM C#CCN(C(=O)Nc1scc(C)c1-c1nn[n-]n1)C1CCCC1 ZINC001588348426 1092932576 /nfs/dbraw/zinc/93/25/76/1092932576.db2.gz VPCBIGROAGVVMZ-UHFFFAOYSA-N -1 3 330.417 2.646 20 30 EFEDHM C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001588348515 1092933119 /nfs/dbraw/zinc/93/31/19/1092933119.db2.gz ZPZLIKPCOGMYQO-ZWKOTPCHSA-N -1 3 349.438 2.765 20 30 EFEDHM C#CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001588348515 1092933127 /nfs/dbraw/zinc/93/31/27/1092933127.db2.gz ZPZLIKPCOGMYQO-ZWKOTPCHSA-N -1 3 349.438 2.765 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC001588374887 1092934281 /nfs/dbraw/zinc/93/42/81/1092934281.db2.gz VAMKKOMCECEAJJ-UHFFFAOYSA-N -1 3 343.390 2.543 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC001588374887 1092934291 /nfs/dbraw/zinc/93/42/91/1092934291.db2.gz VAMKKOMCECEAJJ-UHFFFAOYSA-N -1 3 343.390 2.543 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC001588374789 1092934647 /nfs/dbraw/zinc/93/46/47/1092934647.db2.gz OCLHGRHUULCQRF-UHFFFAOYSA-N -1 3 347.378 2.523 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC001588374789 1092934655 /nfs/dbraw/zinc/93/46/55/1092934655.db2.gz OCLHGRHUULCQRF-UHFFFAOYSA-N -1 3 347.378 2.523 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001588374607 1092934867 /nfs/dbraw/zinc/93/48/67/1092934867.db2.gz DAEPCDVDUKHCNQ-UHFFFAOYSA-N -1 3 343.390 2.543 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001588374607 1092934877 /nfs/dbraw/zinc/93/48/77/1092934877.db2.gz DAEPCDVDUKHCNQ-UHFFFAOYSA-N -1 3 343.390 2.543 20 30 EFEDHM C#Cc1ccc(C(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588366307 1092935465 /nfs/dbraw/zinc/93/54/65/1092935465.db2.gz PCIVGDHSBYRORT-UHFFFAOYSA-N -1 3 345.406 2.900 20 30 EFEDHM C#Cc1ccc(C(=O)N(CCC)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588366307 1092935474 /nfs/dbraw/zinc/93/54/74/1092935474.db2.gz PCIVGDHSBYRORT-UHFFFAOYSA-N -1 3 345.406 2.900 20 30 EFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1nc(-c2ccccc2)c[nH]1 ZINC001588381626 1092938780 /nfs/dbraw/zinc/93/87/80/1092938780.db2.gz LVWOJRRGNIRANR-UHFFFAOYSA-N -1 3 330.355 2.703 20 30 EFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)c[nH]1 ZINC001588381626 1092938786 /nfs/dbraw/zinc/93/87/86/1092938786.db2.gz LVWOJRRGNIRANR-UHFFFAOYSA-N -1 3 330.355 2.703 20 30 EFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C)OCC ZINC001588400606 1092940253 /nfs/dbraw/zinc/94/02/53/1092940253.db2.gz BNKFPKWLVJPVIR-CQSZACIVSA-N -1 3 333.367 2.624 20 30 EFEDHM C=C(C)[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C)OCC ZINC001588400606 1092940261 /nfs/dbraw/zinc/94/02/61/1092940261.db2.gz BNKFPKWLVJPVIR-CQSZACIVSA-N -1 3 333.367 2.624 20 30 EFEDHM C=C(C)[C@@H](CC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1)OCC ZINC001588402397 1092941911 /nfs/dbraw/zinc/94/19/11/1092941911.db2.gz FXMRHSFHLWGQGY-OAHLLOKOSA-N -1 3 343.431 2.589 20 30 EFEDHM C=C(C)[C@@H](CC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1)OCC ZINC001588402397 1092941921 /nfs/dbraw/zinc/94/19/21/1092941921.db2.gz FXMRHSFHLWGQGY-OAHLLOKOSA-N -1 3 343.431 2.589 20 30 EFEDHM C=C(C)C[C@H](CO)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588405611 1092942329 /nfs/dbraw/zinc/94/23/29/1092942329.db2.gz OSCHMFZAHLBTIM-SNVBAGLBSA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)C[C@H](CO)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588405611 1092942339 /nfs/dbraw/zinc/94/23/39/1092942339.db2.gz OSCHMFZAHLBTIM-SNVBAGLBSA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)CCC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2 ZINC001588419402 1092943247 /nfs/dbraw/zinc/94/32/47/1092943247.db2.gz HWLAESBZWCMJFU-LLVKDONJSA-N -1 3 326.404 2.681 20 30 EFEDHM C=C(C)CCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2 ZINC001588419402 1092943257 /nfs/dbraw/zinc/94/32/57/1092943257.db2.gz HWLAESBZWCMJFU-LLVKDONJSA-N -1 3 326.404 2.681 20 30 EFEDHM C=C(C)CN(CC)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588426588 1092944369 /nfs/dbraw/zinc/94/43/69/1092944369.db2.gz ZWHQELVQRDDSDF-MRXNPFEDSA-N -1 3 340.431 2.852 20 30 EFEDHM C=C(C)CN(CC)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588426588 1092944377 /nfs/dbraw/zinc/94/43/77/1092944377.db2.gz ZWHQELVQRDDSDF-MRXNPFEDSA-N -1 3 340.431 2.852 20 30 EFEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588425968 1092944722 /nfs/dbraw/zinc/94/47/22/1092944722.db2.gz DQPWYJACVIWLAH-UHFFFAOYSA-N -1 3 348.410 2.789 20 30 EFEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588425968 1092944727 /nfs/dbraw/zinc/94/47/27/1092944727.db2.gz DQPWYJACVIWLAH-UHFFFAOYSA-N -1 3 348.410 2.789 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC001588430058 1092945207 /nfs/dbraw/zinc/94/52/07/1092945207.db2.gz LBZHMBXLLFPXFV-UHFFFAOYSA-N -1 3 338.419 2.622 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC001588430058 1092945213 /nfs/dbraw/zinc/94/52/13/1092945213.db2.gz LBZHMBXLLFPXFV-UHFFFAOYSA-N -1 3 338.419 2.622 20 30 EFEDHM C=C(C)CCNC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588424169 1092945695 /nfs/dbraw/zinc/94/56/95/1092945695.db2.gz GSRIVEBORLEODZ-UHFFFAOYSA-N -1 3 328.420 2.755 20 30 EFEDHM C=C(C)CCNC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588424169 1092945704 /nfs/dbraw/zinc/94/57/04/1092945704.db2.gz GSRIVEBORLEODZ-UHFFFAOYSA-N -1 3 328.420 2.755 20 30 EFEDHM C=C(CNC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588444242 1092946825 /nfs/dbraw/zinc/94/68/25/1092946825.db2.gz SNLZLWVDZRLCHG-UHFFFAOYSA-N -1 3 348.410 2.688 20 30 EFEDHM C=C(CNC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588444242 1092946834 /nfs/dbraw/zinc/94/68/34/1092946834.db2.gz SNLZLWVDZRLCHG-UHFFFAOYSA-N -1 3 348.410 2.688 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588456680 1092948043 /nfs/dbraw/zinc/94/80/43/1092948043.db2.gz TWSISPCSDLDVDV-TXEJJXNPSA-N -1 3 328.351 2.721 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588456680 1092948050 /nfs/dbraw/zinc/94/80/50/1092948050.db2.gz TWSISPCSDLDVDV-TXEJJXNPSA-N -1 3 328.351 2.721 20 30 EFEDHM C=CC(C)(C)COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588487913 1092951610 /nfs/dbraw/zinc/95/16/10/1092951610.db2.gz CAXWJABKUYBIMS-OAHLLOKOSA-N -1 3 341.415 2.591 20 30 EFEDHM C=C[C@@H](CC)CC(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc21 ZINC001588525279 1092951842 /nfs/dbraw/zinc/95/18/42/1092951842.db2.gz FNWVAAVFSLLJKJ-JTQLQIEISA-N -1 3 325.376 2.592 20 30 EFEDHM C=C[C@@H](CC)CC(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc21 ZINC001588525279 1092951850 /nfs/dbraw/zinc/95/18/50/1092951850.db2.gz FNWVAAVFSLLJKJ-JTQLQIEISA-N -1 3 325.376 2.592 20 30 EFEDHM C=CC1(CC(=O)OCc2cncc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588527166 1092951947 /nfs/dbraw/zinc/95/19/47/1092951947.db2.gz DPNOGRMTSVPVQL-UHFFFAOYSA-N -1 3 327.388 2.832 20 30 EFEDHM C=CC1(CC(=O)OCc2cncc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588527166 1092951957 /nfs/dbraw/zinc/95/19/57/1092951957.db2.gz DPNOGRMTSVPVQL-UHFFFAOYSA-N -1 3 327.388 2.832 20 30 EFEDHM C=CC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001588488991 1092953308 /nfs/dbraw/zinc/95/33/08/1092953308.db2.gz SYMYUIKPBNJSPW-UHFFFAOYSA-N -1 3 338.318 2.554 20 30 EFEDHM C=CC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001588488991 1092953320 /nfs/dbraw/zinc/95/33/20/1092953320.db2.gz SYMYUIKPBNJSPW-UHFFFAOYSA-N -1 3 338.318 2.554 20 30 EFEDHM C=C[C@H](C)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588518872 1092953423 /nfs/dbraw/zinc/95/34/23/1092953423.db2.gz MKZPIHGBLJONND-NSHDSACASA-N -1 3 340.339 2.770 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588494957 1092953474 /nfs/dbraw/zinc/95/34/74/1092953474.db2.gz ZGCITXZSABEWEJ-MRXNPFEDSA-N -1 3 331.445 2.807 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588494957 1092953480 /nfs/dbraw/zinc/95/34/80/1092953480.db2.gz ZGCITXZSABEWEJ-MRXNPFEDSA-N -1 3 331.445 2.807 20 30 EFEDHM C=CC(C)(C)CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC001588488049 1092953539 /nfs/dbraw/zinc/95/35/39/1092953539.db2.gz WTRVIOQQIDCJHN-UHFFFAOYSA-N -1 3 337.387 2.593 20 30 EFEDHM C=CC(C)(C)COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588487909 1092953757 /nfs/dbraw/zinc/95/37/57/1092953757.db2.gz CAXWJABKUYBIMS-HNNXBMFYSA-N -1 3 341.415 2.591 20 30 EFEDHM C=CCC(C)(C)CNC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588539173 1092955571 /nfs/dbraw/zinc/95/55/71/1092955571.db2.gz AVTRCKMFAZQUTJ-CYBMUJFWSA-N -1 3 327.432 2.764 20 30 EFEDHM C=CCC(C)(C)CNC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588539173 1092955577 /nfs/dbraw/zinc/95/55/77/1092955577.db2.gz AVTRCKMFAZQUTJ-CYBMUJFWSA-N -1 3 327.432 2.764 20 30 EFEDHM C=CC[C@@H](C=C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588539269 1092955909 /nfs/dbraw/zinc/95/59/09/1092955909.db2.gz DQUWMCYKRYZOTQ-CVEARBPZSA-N -1 3 339.399 2.509 20 30 EFEDHM C=CCC1(NC(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)CCCC1 ZINC001588557639 1092959625 /nfs/dbraw/zinc/95/96/25/1092959625.db2.gz QUEWAGUFBWJBHW-UHFFFAOYSA-N -1 3 347.369 2.964 20 30 EFEDHM C=CCC1(NC(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)CCCC1 ZINC001588557639 1092959636 /nfs/dbraw/zinc/95/96/36/1092959636.db2.gz QUEWAGUFBWJBHW-UHFFFAOYSA-N -1 3 347.369 2.964 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)C1 ZINC001588560255 1092959653 /nfs/dbraw/zinc/95/96/53/1092959653.db2.gz OVIJJCUXDPXEQS-GFCCVEGCSA-N -1 3 336.399 2.776 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)C1 ZINC001588560255 1092959660 /nfs/dbraw/zinc/95/96/60/1092959660.db2.gz OVIJJCUXDPXEQS-GFCCVEGCSA-N -1 3 336.399 2.776 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)C1 ZINC001588559317 1092959700 /nfs/dbraw/zinc/95/97/00/1092959700.db2.gz JBYMWVBTTDVVCV-AWEZNQCLSA-N -1 3 325.416 2.912 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)C1 ZINC001588559317 1092959711 /nfs/dbraw/zinc/95/97/11/1092959711.db2.gz JBYMWVBTTDVVCV-AWEZNQCLSA-N -1 3 325.416 2.912 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001588560411 1092960933 /nfs/dbraw/zinc/96/09/33/1092960933.db2.gz PYSOVNHMSXGSNP-ZYHUDNBSSA-N -1 3 346.822 2.780 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588564933 1092962683 /nfs/dbraw/zinc/96/26/83/1092962683.db2.gz VCEFZZLDOLYCCJ-INIZCTEOSA-N -1 3 337.427 2.856 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588564933 1092962693 /nfs/dbraw/zinc/96/26/93/1092962693.db2.gz VCEFZZLDOLYCCJ-INIZCTEOSA-N -1 3 337.427 2.856 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588564698 1092963059 /nfs/dbraw/zinc/96/30/59/1092963059.db2.gz QXRCFDCSUKWMQU-JTQLQIEISA-N -1 3 332.795 2.950 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588564698 1092963070 /nfs/dbraw/zinc/96/30/70/1092963070.db2.gz QXRCFDCSUKWMQU-JTQLQIEISA-N -1 3 332.795 2.950 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588579966 1092963576 /nfs/dbraw/zinc/96/35/76/1092963576.db2.gz WLSXYICHNHCIJI-ZDUSSCGKSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588579966 1092963588 /nfs/dbraw/zinc/96/35/88/1092963588.db2.gz WLSXYICHNHCIJI-ZDUSSCGKSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588579683 1092964156 /nfs/dbraw/zinc/96/41/56/1092964156.db2.gz RAKAAZRPRJOJBA-INIZCTEOSA-N -1 3 325.416 2.757 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588579683 1092964160 /nfs/dbraw/zinc/96/41/60/1092964160.db2.gz RAKAAZRPRJOJBA-INIZCTEOSA-N -1 3 325.416 2.757 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588593518 1092965222 /nfs/dbraw/zinc/96/52/22/1092965222.db2.gz DNISHXSHQTZEQP-LLVKDONJSA-N -1 3 334.449 2.814 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588593518 1092965229 /nfs/dbraw/zinc/96/52/29/1092965229.db2.gz DNISHXSHQTZEQP-LLVKDONJSA-N -1 3 334.449 2.814 20 30 EFEDHM C=CCCC[C@@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588594042 1092966349 /nfs/dbraw/zinc/96/63/49/1092966349.db2.gz KAYSHSZBVVSCAY-CZUORRHYSA-N -1 3 339.399 2.837 20 30 EFEDHM C=CCCC[C@@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588594042 1092966356 /nfs/dbraw/zinc/96/63/56/1092966356.db2.gz KAYSHSZBVVSCAY-CZUORRHYSA-N -1 3 339.399 2.837 20 30 EFEDHM C=CCCCCNC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588595932 1092966448 /nfs/dbraw/zinc/96/64/48/1092966448.db2.gz ARFSDNWGVCFNBW-UHFFFAOYSA-N -1 3 346.460 2.744 20 30 EFEDHM C=CCCCCNC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588595932 1092966455 /nfs/dbraw/zinc/96/64/55/1092966455.db2.gz ARFSDNWGVCFNBW-UHFFFAOYSA-N -1 3 346.460 2.744 20 30 EFEDHM C=CCCCS(=O)(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588600911 1092966572 /nfs/dbraw/zinc/96/65/72/1092966572.db2.gz UIDCMCHSSBLUGR-CYBMUJFWSA-N -1 3 349.460 2.546 20 30 EFEDHM C=CCCCS(=O)(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588600911 1092966585 /nfs/dbraw/zinc/96/65/85/1092966585.db2.gz UIDCMCHSSBLUGR-CYBMUJFWSA-N -1 3 349.460 2.546 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588595016 1092967335 /nfs/dbraw/zinc/96/73/35/1092967335.db2.gz XYZKCVASCSEHJM-CYBMUJFWSA-N -1 3 328.420 2.719 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588595016 1092967343 /nfs/dbraw/zinc/96/73/43/1092967343.db2.gz XYZKCVASCSEHJM-CYBMUJFWSA-N -1 3 328.420 2.719 20 30 EFEDHM C=CCCCN(CC)C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001588602056 1092967892 /nfs/dbraw/zinc/96/78/92/1092967892.db2.gz ZKFQVGDENKFSHU-UHFFFAOYSA-N -1 3 348.382 2.834 20 30 EFEDHM C=CCCCN(CC)C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001588602056 1092967898 /nfs/dbraw/zinc/96/78/98/1092967898.db2.gz ZKFQVGDENKFSHU-UHFFFAOYSA-N -1 3 348.382 2.834 20 30 EFEDHM C=CCCC[C@@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588594040 1092968103 /nfs/dbraw/zinc/96/81/03/1092968103.db2.gz KAYSHSZBVVSCAY-CJNGLKHVSA-N -1 3 339.399 2.837 20 30 EFEDHM C=CCCC[C@@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588594040 1092968107 /nfs/dbraw/zinc/96/81/07/1092968107.db2.gz KAYSHSZBVVSCAY-CJNGLKHVSA-N -1 3 339.399 2.837 20 30 EFEDHM C=CCCOCCNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588618199 1092969904 /nfs/dbraw/zinc/96/99/04/1092969904.db2.gz YPELUBHVKVJYII-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=CCCOCCNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588618199 1092969910 /nfs/dbraw/zinc/96/99/10/1092969910.db2.gz YPELUBHVKVJYII-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=CCN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588626596 1092969980 /nfs/dbraw/zinc/96/99/80/1092969980.db2.gz MJHMPKBYLSULKC-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM C=CCN(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588626596 1092969986 /nfs/dbraw/zinc/96/99/86/1092969986.db2.gz MJHMPKBYLSULKC-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM C=CCCSCCNc1cccc(-n2cccn2)c1-c1nnn[n-]1 ZINC001588621093 1092970233 /nfs/dbraw/zinc/97/02/33/1092970233.db2.gz VAJSRIYFWOSSRP-UHFFFAOYSA-N -1 3 341.444 2.774 20 30 EFEDHM C=CCCSCCNc1cccc(-n2cccn2)c1-c1nn[n-]n1 ZINC001588621093 1092970243 /nfs/dbraw/zinc/97/02/43/1092970243.db2.gz VAJSRIYFWOSSRP-UHFFFAOYSA-N -1 3 341.444 2.774 20 30 EFEDHM C=CCN(C(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1)C(C)C ZINC001588625300 1092970440 /nfs/dbraw/zinc/97/04/40/1092970440.db2.gz GAUYXYSKMIGJDF-UHFFFAOYSA-N -1 3 346.460 2.695 20 30 EFEDHM C=CCN(C(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1)C(C)C ZINC001588625300 1092970442 /nfs/dbraw/zinc/97/04/42/1092970442.db2.gz GAUYXYSKMIGJDF-UHFFFAOYSA-N -1 3 346.460 2.695 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CSCCCC ZINC001588640050 1092971086 /nfs/dbraw/zinc/97/10/86/1092971086.db2.gz JAFLSQPVMOLPID-UHFFFAOYSA-N -1 3 345.472 2.915 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CSCCCC ZINC001588640050 1092971090 /nfs/dbraw/zinc/97/10/90/1092971090.db2.gz JAFLSQPVMOLPID-UHFFFAOYSA-N -1 3 345.472 2.915 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588654157 1092974374 /nfs/dbraw/zinc/97/43/74/1092974374.db2.gz ALPZVRLEYFATDB-GOSISDBHSA-N -1 3 346.394 2.928 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588654157 1092974383 /nfs/dbraw/zinc/97/43/83/1092974383.db2.gz ALPZVRLEYFATDB-GOSISDBHSA-N -1 3 346.394 2.928 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CC=CC1 ZINC001588641957 1092975096 /nfs/dbraw/zinc/97/50/96/1092975096.db2.gz QNTXNNRBJFUIFB-UHFFFAOYSA-N -1 3 338.415 2.531 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CC=CC1 ZINC001588641957 1092975104 /nfs/dbraw/zinc/97/51/04/1092975104.db2.gz QNTXNNRBJFUIFB-UHFFFAOYSA-N -1 3 338.415 2.531 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588654159 1092975882 /nfs/dbraw/zinc/97/58/82/1092975882.db2.gz ALPZVRLEYFATDB-SFHVURJKSA-N -1 3 346.394 2.928 20 30 EFEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588654159 1092975894 /nfs/dbraw/zinc/97/58/94/1092975894.db2.gz ALPZVRLEYFATDB-SFHVURJKSA-N -1 3 346.394 2.928 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1occ2c1CCC2 ZINC001588649027 1092975914 /nfs/dbraw/zinc/97/59/14/1092975914.db2.gz XJBVJORJYHIIME-UHFFFAOYSA-N -1 3 349.394 2.777 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1occ2c1CCC2 ZINC001588649027 1092975923 /nfs/dbraw/zinc/97/59/23/1092975923.db2.gz XJBVJORJYHIIME-UHFFFAOYSA-N -1 3 349.394 2.777 20 30 EFEDHM C=CCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)c(C)c2)SC1=S ZINC001588654874 1092976172 /nfs/dbraw/zinc/97/61/72/1092976172.db2.gz QFCUMSPNCNXLDK-WQLSENKSSA-N -1 3 343.437 2.562 20 30 EFEDHM C=CCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)c(C)c2)SC1=S ZINC001588654874 1092976176 /nfs/dbraw/zinc/97/61/76/1092976176.db2.gz QFCUMSPNCNXLDK-WQLSENKSSA-N -1 3 343.437 2.562 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc[nH]c1CC ZINC001588648757 1092976189 /nfs/dbraw/zinc/97/61/89/1092976189.db2.gz UOROOJPRCNEALL-UHFFFAOYSA-N -1 3 336.399 2.586 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc[nH]c1CC ZINC001588648757 1092976192 /nfs/dbraw/zinc/97/61/92/1092976192.db2.gz UOROOJPRCNEALL-UHFFFAOYSA-N -1 3 336.399 2.586 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C#N)c1 ZINC001588648125 1092977110 /nfs/dbraw/zinc/97/71/10/1092977110.db2.gz IURHLKXFGSAGEA-UHFFFAOYSA-N -1 3 344.378 2.567 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C#N)c1 ZINC001588648125 1092977113 /nfs/dbraw/zinc/97/71/13/1092977113.db2.gz IURHLKXFGSAGEA-UHFFFAOYSA-N -1 3 344.378 2.567 20 30 EFEDHM C=CCNc1nnc(SCc2cccc(-c3nnn[n-]3)c2)s1 ZINC001588665770 1092977678 /nfs/dbraw/zinc/97/76/78/1092977678.db2.gz QXVRLWUCOZOBJV-UHFFFAOYSA-N -1 3 331.430 2.608 20 30 EFEDHM C=CCNc1nnc(SCc2cccc(-c3nn[n-]n3)c2)s1 ZINC001588665770 1092977682 /nfs/dbraw/zinc/97/76/82/1092977682.db2.gz QXVRLWUCOZOBJV-UHFFFAOYSA-N -1 3 331.430 2.608 20 30 EFEDHM C=CCOc1ccccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC001588689230 1092977732 /nfs/dbraw/zinc/97/77/32/1092977732.db2.gz AOJTXOZFEPKWBB-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOc1ccccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC001588689230 1092977737 /nfs/dbraw/zinc/97/77/37/1092977737.db2.gz AOJTXOZFEPKWBB-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOCCNc1c(-c2nnn[n-]2)cnc2c(Cl)cccc21 ZINC001588683035 1092979055 /nfs/dbraw/zinc/97/90/55/1092979055.db2.gz NEIUVVYDIZRAKH-UHFFFAOYSA-N -1 3 330.779 2.683 20 30 EFEDHM C=CCOCCNc1c(-c2nn[n-]n2)cnc2c(Cl)cccc21 ZINC001588683035 1092979062 /nfs/dbraw/zinc/97/90/62/1092979062.db2.gz NEIUVVYDIZRAKH-UHFFFAOYSA-N -1 3 330.779 2.683 20 30 EFEDHM C=CCSc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001588695376 1092980632 /nfs/dbraw/zinc/98/06/32/1092980632.db2.gz VSPVWHSIBFWMQM-UHFFFAOYSA-N -1 3 338.396 2.792 20 30 EFEDHM C=CCSc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001588695376 1092980642 /nfs/dbraw/zinc/98/06/42/1092980642.db2.gz VSPVWHSIBFWMQM-UHFFFAOYSA-N -1 3 338.396 2.792 20 30 EFEDHM CC#CCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588747409 1092983215 /nfs/dbraw/zinc/98/32/15/1092983215.db2.gz FKGQQGHPDMWICI-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM CC#CCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588747409 1092983223 /nfs/dbraw/zinc/98/32/23/1092983223.db2.gz FKGQQGHPDMWICI-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588777472 1092992327 /nfs/dbraw/zinc/99/23/27/1092992327.db2.gz ZXLKYOXWBQWAAT-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588777472 1092992331 /nfs/dbraw/zinc/99/23/31/1092992331.db2.gz ZXLKYOXWBQWAAT-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=O)c1ccc(C#N)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001588912217 1093008392 /nfs/dbraw/zinc/00/83/92/1093008392.db2.gz PTJXEIYJFYEONL-UHFFFAOYSA-N -1 3 336.330 2.692 20 30 EFEDHM CC(=O)c1ccc(C#N)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001588912217 1093008397 /nfs/dbraw/zinc/00/83/97/1093008397.db2.gz PTJXEIYJFYEONL-UHFFFAOYSA-N -1 3 336.330 2.692 20 30 EFEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCc1ccc(OCC#N)cc1 ZINC001588910592 1093009355 /nfs/dbraw/zinc/00/93/55/1093009355.db2.gz XJIQJLMEYMFBJS-UHFFFAOYSA-N -1 3 348.366 2.584 20 30 EFEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCc1ccc(OCC#N)cc1 ZINC001588910592 1093009366 /nfs/dbraw/zinc/00/93/66/1093009366.db2.gz XJIQJLMEYMFBJS-UHFFFAOYSA-N -1 3 348.366 2.584 20 30 EFEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(C#N)cc1C ZINC001588918504 1093010300 /nfs/dbraw/zinc/01/03/00/1093010300.db2.gz GGNPUXJDEDGMJH-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(C#N)cc1C ZINC001588918504 1093010307 /nfs/dbraw/zinc/01/03/07/1093010307.db2.gz GGNPUXJDEDGMJH-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM C[C@@H](C#N)N(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC001588934403 1093013860 /nfs/dbraw/zinc/01/38/60/1093013860.db2.gz LGJAVEOXWTULBP-VIFPVBQESA-N -1 3 347.220 2.506 20 30 EFEDHM C[C@@H](C#N)N(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC001588934403 1093013869 /nfs/dbraw/zinc/01/38/69/1093013869.db2.gz LGJAVEOXWTULBP-VIFPVBQESA-N -1 3 347.220 2.506 20 30 EFEDHM C[C@](C#N)(NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001588924420 1093014317 /nfs/dbraw/zinc/01/43/17/1093014317.db2.gz NWVNCMUEIXCWBC-QGZVFWFLSA-N -1 3 342.378 2.598 20 30 EFEDHM C[C@](C#N)(NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001588924420 1093014320 /nfs/dbraw/zinc/01/43/20/1093014320.db2.gz NWVNCMUEIXCWBC-QGZVFWFLSA-N -1 3 342.378 2.598 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CNc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001588937305 1093015681 /nfs/dbraw/zinc/01/56/81/1093015681.db2.gz VXCDXVZJRPBZKF-LLVKDONJSA-N -1 3 338.346 2.909 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CNc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001588937305 1093015684 /nfs/dbraw/zinc/01/56/84/1093015684.db2.gz VXCDXVZJRPBZKF-LLVKDONJSA-N -1 3 338.346 2.909 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CN2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001588935987 1093016177 /nfs/dbraw/zinc/01/61/77/1093016177.db2.gz CBYAJDAFEGATKJ-ZDUSSCGKSA-N -1 3 346.394 2.673 20 30 EFEDHM CC(C)(C)CCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589124970 1093037602 /nfs/dbraw/zinc/03/76/02/1093037602.db2.gz MNPWLEBEWRETNO-OAHLLOKOSA-N -1 3 341.415 2.918 20 30 EFEDHM CC(C)(C)CCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589124970 1093037611 /nfs/dbraw/zinc/03/76/11/1093037611.db2.gz MNPWLEBEWRETNO-OAHLLOKOSA-N -1 3 341.415 2.918 20 30 EFEDHM CC(C)(C)c1cnc(C=CC(=O)c2cc(-c3nnn[n-]3)ccn2)s1 ZINC001589231868 1093053926 /nfs/dbraw/zinc/05/39/26/1093053926.db2.gz HFJVZWLJXYRLJL-SNAWJCMRSA-N -1 3 340.412 2.912 20 30 EFEDHM CC(C)(C)c1cnc(C=CC(=O)c2cc(-c3nn[n-]n3)ccn2)s1 ZINC001589231868 1093053937 /nfs/dbraw/zinc/05/39/37/1093053937.db2.gz HFJVZWLJXYRLJL-SNAWJCMRSA-N -1 3 340.412 2.912 20 30 EFEDHM CC(C)(F)CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589312902 1093070953 /nfs/dbraw/zinc/07/09/53/1093070953.db2.gz YWBPTUFTDXSMFU-UHFFFAOYSA-N -1 3 343.410 2.952 20 30 EFEDHM CC(C)(F)CNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589312902 1093070959 /nfs/dbraw/zinc/07/09/59/1093070959.db2.gz YWBPTUFTDXSMFU-UHFFFAOYSA-N -1 3 343.410 2.952 20 30 EFEDHM CC(C)(NCc1cccc(F)c1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589321658 1093074758 /nfs/dbraw/zinc/07/47/58/1093074758.db2.gz IZCONWATALTYMW-UHFFFAOYSA-N -1 3 336.374 2.902 20 30 EFEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001589541215 1093104657 /nfs/dbraw/zinc/10/46/57/1093104657.db2.gz BZPIKASQBRRLLB-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001589541215 1093104661 /nfs/dbraw/zinc/10/46/61/1093104661.db2.gz BZPIKASQBRRLLB-HNNXBMFYSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)CN(C(=O)CCCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589613305 1093115836 /nfs/dbraw/zinc/11/58/36/1093115836.db2.gz FYEHBJBGHGGXND-UHFFFAOYSA-N -1 3 326.404 2.940 20 30 EFEDHM CC(C)CN(C(=O)CCCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589613305 1093115840 /nfs/dbraw/zinc/11/58/40/1093115840.db2.gz FYEHBJBGHGGXND-UHFFFAOYSA-N -1 3 326.404 2.940 20 30 EFEDHM CC(C)c1nc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)co1 ZINC001589775323 1093142253 /nfs/dbraw/zinc/14/22/53/1093142253.db2.gz KXTRNNUPWMBIGW-PLNGDYQASA-N -1 3 349.354 2.522 20 30 EFEDHM CC(C)c1nc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)co1 ZINC001589775323 1093142258 /nfs/dbraw/zinc/14/22/58/1093142258.db2.gz KXTRNNUPWMBIGW-PLNGDYQASA-N -1 3 349.354 2.522 20 30 EFEDHM CC(C)c1cnc(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001589773270 1093142608 /nfs/dbraw/zinc/14/26/08/1093142608.db2.gz YNZYTMWALRSEAG-UHFFFAOYSA-N -1 3 327.417 2.570 20 30 EFEDHM CC(C)c1cnc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001589773270 1093142616 /nfs/dbraw/zinc/14/26/16/1093142616.db2.gz YNZYTMWALRSEAG-UHFFFAOYSA-N -1 3 327.417 2.570 20 30 EFEDHM CC(C)c1nn(C)c(Cl)c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001589778004 1093145240 /nfs/dbraw/zinc/14/52/40/1093145240.db2.gz PZKRORQMZMOOSU-UHFFFAOYSA-N -1 3 344.810 2.823 20 30 EFEDHM CC(C)c1nn(C)c(Cl)c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001589778004 1093145244 /nfs/dbraw/zinc/14/52/44/1093145244.db2.gz PZKRORQMZMOOSU-UHFFFAOYSA-N -1 3 344.810 2.823 20 30 EFEDHM C[C@H](CC#N)NCc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001589787426 1093146351 /nfs/dbraw/zinc/14/63/51/1093146351.db2.gz KVTYLSPRJNJKET-CQSZACIVSA-N -1 3 348.410 2.837 20 30 EFEDHM C[C@H](CC#N)NCc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001589787426 1093146357 /nfs/dbraw/zinc/14/63/57/1093146357.db2.gz KVTYLSPRJNJKET-CQSZACIVSA-N -1 3 348.410 2.837 20 30 EFEDHM C[C@@H](CC#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001589786689 1093146629 /nfs/dbraw/zinc/14/66/29/1093146629.db2.gz JUNFQYSPVBFPSW-NSHDSACASA-N -1 3 349.354 2.542 20 30 EFEDHM C[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)Oc1cccc(F)c1 ZINC001589876397 1093162749 /nfs/dbraw/zinc/16/27/49/1093162749.db2.gz VYSNFNVXYQCBRX-NSHDSACASA-N -1 3 338.346 2.757 20 30 EFEDHM C[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)Oc1cccc(F)c1 ZINC001589876397 1093162753 /nfs/dbraw/zinc/16/27/53/1093162753.db2.gz VYSNFNVXYQCBRX-NSHDSACASA-N -1 3 338.346 2.757 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(C#N)cc1 ZINC001589895777 1093170193 /nfs/dbraw/zinc/17/01/93/1093170193.db2.gz TZVBFVQYSXHADF-LBPRGKRZSA-N -1 3 333.351 2.523 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(C#N)cc1 ZINC001589895777 1093170195 /nfs/dbraw/zinc/17/01/95/1093170195.db2.gz TZVBFVQYSXHADF-LBPRGKRZSA-N -1 3 333.351 2.523 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Oc1ccc(C#N)cc1 ZINC001589895768 1093170883 /nfs/dbraw/zinc/17/08/83/1093170883.db2.gz TZVBFVQYSXHADF-GFCCVEGCSA-N -1 3 333.351 2.523 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Oc1ccc(C#N)cc1 ZINC001589895768 1093170889 /nfs/dbraw/zinc/17/08/89/1093170889.db2.gz TZVBFVQYSXHADF-GFCCVEGCSA-N -1 3 333.351 2.523 20 30 EFEDHM CC(F)(F)CNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001589908458 1093176967 /nfs/dbraw/zinc/17/69/67/1093176967.db2.gz NIEKZKHRUKGKJX-UHFFFAOYSA-N -1 3 347.373 2.859 20 30 EFEDHM CC(F)(F)CNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589908458 1093176970 /nfs/dbraw/zinc/17/69/70/1093176970.db2.gz NIEKZKHRUKGKJX-UHFFFAOYSA-N -1 3 347.373 2.859 20 30 EFEDHM CC(F)(F)CCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589910700 1093178115 /nfs/dbraw/zinc/17/81/15/1093178115.db2.gz XMUYATMDRWYPNU-CYBMUJFWSA-N -1 3 349.341 2.528 20 30 EFEDHM CC(F)(F)CCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589910700 1093178116 /nfs/dbraw/zinc/17/81/16/1093178116.db2.gz XMUYATMDRWYPNU-CYBMUJFWSA-N -1 3 349.341 2.528 20 30 EFEDHM C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589936295 1093185902 /nfs/dbraw/zinc/18/59/02/1093185902.db2.gz JAADPNHSEWXVJG-GFCCVEGCSA-N -1 3 347.382 2.815 20 30 EFEDHM C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589936295 1093185905 /nfs/dbraw/zinc/18/59/05/1093185905.db2.gz JAADPNHSEWXVJG-GFCCVEGCSA-N -1 3 347.382 2.815 20 30 EFEDHM C[C@@H](Nc1nc2ncccc2cc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001589991665 1093213211 /nfs/dbraw/zinc/21/32/11/1093213211.db2.gz PKCLQVUFZKCBEN-LLVKDONJSA-N -1 3 342.366 2.855 20 30 EFEDHM C[C@@H](Nc1nc2ncccc2cc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001589991665 1093213218 /nfs/dbraw/zinc/21/32/18/1093213218.db2.gz PKCLQVUFZKCBEN-LLVKDONJSA-N -1 3 342.366 2.855 20 30 EFEDHM C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001590004626 1093216518 /nfs/dbraw/zinc/21/65/18/1093216518.db2.gz VFDFHJFXZPTNRV-SUMWQHHRSA-N -1 3 347.378 2.853 20 30 EFEDHM C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001590004626 1093216525 /nfs/dbraw/zinc/21/65/25/1093216525.db2.gz VFDFHJFXZPTNRV-SUMWQHHRSA-N -1 3 347.378 2.853 20 30 EFEDHM C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC001590006000 1093216540 /nfs/dbraw/zinc/21/65/40/1093216540.db2.gz PVLWIQNQBPBCSI-KPZWWZAWSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC001590006000 1093216549 /nfs/dbraw/zinc/21/65/49/1093216549.db2.gz PVLWIQNQBPBCSI-KPZWWZAWSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001590004624 1093216843 /nfs/dbraw/zinc/21/68/43/1093216843.db2.gz VFDFHJFXZPTNRV-DYVFJYSZSA-N -1 3 347.378 2.853 20 30 EFEDHM C[C@@H](OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001590004624 1093216861 /nfs/dbraw/zinc/21/68/61/1093216861.db2.gz VFDFHJFXZPTNRV-DYVFJYSZSA-N -1 3 347.378 2.853 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cc1cccc(C#N)c1 ZINC001590045793 1093241119 /nfs/dbraw/zinc/24/11/19/1093241119.db2.gz XHCONYHJDZVCQQ-CYBMUJFWSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cc1cccc(C#N)c1 ZINC001590045793 1093241124 /nfs/dbraw/zinc/24/11/24/1093241124.db2.gz XHCONYHJDZVCQQ-CYBMUJFWSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cscc1-c1nnn[n-]1 ZINC001590048551 1093243785 /nfs/dbraw/zinc/24/37/85/1093243785.db2.gz ITFLJNDWFUEAGP-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1cscc1-c1nn[n-]n1 ZINC001590048551 1093243796 /nfs/dbraw/zinc/24/37/96/1093243796.db2.gz ITFLJNDWFUEAGP-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001590049382 1093244041 /nfs/dbraw/zinc/24/40/41/1093244041.db2.gz OETBBYUTAQGHKS-LBPRGKRZSA-N -1 3 347.382 2.963 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001590049382 1093244051 /nfs/dbraw/zinc/24/40/51/1093244051.db2.gz OETBBYUTAQGHKS-LBPRGKRZSA-N -1 3 347.382 2.963 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC001590047573 1093244172 /nfs/dbraw/zinc/24/41/72/1093244172.db2.gz TYRDIFILPQMJIT-LLVKDONJSA-N -1 3 349.354 2.844 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC001590047573 1093244177 /nfs/dbraw/zinc/24/41/77/1093244177.db2.gz TYRDIFILPQMJIT-LLVKDONJSA-N -1 3 349.354 2.844 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)c(Cl)c1 ZINC001650453400 1093263906 /nfs/dbraw/zinc/26/39/06/1093263906.db2.gz KWBBWVKDDVEXLZ-MWLCHTKSSA-N -1 3 342.804 2.561 20 30 EFEDHM C[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H](C)O1 ZINC001590181885 1093296561 /nfs/dbraw/zinc/29/65/61/1093296561.db2.gz VCOKSYNUKOEKIU-YUMQZZPRSA-N -1 3 340.309 2.851 20 30 EFEDHM C[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H](C)O1 ZINC001590181885 1093296567 /nfs/dbraw/zinc/29/65/67/1093296567.db2.gz VCOKSYNUKOEKIU-YUMQZZPRSA-N -1 3 340.309 2.851 20 30 EFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)C1 ZINC001590241888 1093329488 /nfs/dbraw/zinc/32/94/88/1093329488.db2.gz YLJLPWMROJXFSG-ZMZPIMSZSA-N -1 3 349.398 2.550 20 30 EFEDHM C[C@H]1CCN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)C1 ZINC001590275914 1093356815 /nfs/dbraw/zinc/35/68/15/1093356815.db2.gz GOXUNGDZOXGWHQ-LBPRGKRZSA-N -1 3 337.431 2.639 20 30 EFEDHM C[C@H]1CCN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)C1 ZINC001590275914 1093356817 /nfs/dbraw/zinc/35/68/17/1093356817.db2.gz GOXUNGDZOXGWHQ-LBPRGKRZSA-N -1 3 337.431 2.639 20 30 EFEDHM C[C@@H]1[C@@H](C)CN1c1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001590317244 1093371683 /nfs/dbraw/zinc/37/16/83/1093371683.db2.gz WENVYAYJFQXSNP-NWDGAFQWSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@@H]1[C@@H](C)CN1c1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001590317244 1093371690 /nfs/dbraw/zinc/37/16/90/1093371690.db2.gz WENVYAYJFQXSNP-NWDGAFQWSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@H]1CN(c2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)[C@H]1C ZINC001590317245 1093373630 /nfs/dbraw/zinc/37/36/30/1093373630.db2.gz WENVYAYJFQXSNP-RYUDHWBXSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@H]1CN(c2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)[C@H]1C ZINC001590317245 1093373641 /nfs/dbraw/zinc/37/36/41/1093373641.db2.gz WENVYAYJFQXSNP-RYUDHWBXSA-N -1 3 337.431 2.637 20 30 EFEDHM CC[C@H](C#N)N(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001590367909 1093392903 /nfs/dbraw/zinc/39/29/03/1093392903.db2.gz NKVRBROVNGAUNN-CYBMUJFWSA-N -1 3 346.394 2.908 20 30 EFEDHM CC[C@H](C#N)N(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001590367909 1093392914 /nfs/dbraw/zinc/39/29/14/1093392914.db2.gz NKVRBROVNGAUNN-CYBMUJFWSA-N -1 3 346.394 2.908 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001590372101 1093395576 /nfs/dbraw/zinc/39/55/76/1093395576.db2.gz OPJSNSRCRSSBSR-ZDUSSCGKSA-N -1 3 338.293 2.764 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001590372101 1093395584 /nfs/dbraw/zinc/39/55/84/1093395584.db2.gz OPJSNSRCRSSBSR-ZDUSSCGKSA-N -1 3 338.293 2.764 20 30 EFEDHM CC[C@@H](C)Oc1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)ccn1 ZINC001590415999 1093411247 /nfs/dbraw/zinc/41/12/47/1093411247.db2.gz FOLGXRFXZSBDEF-GFCCVEGCSA-N -1 3 349.398 2.923 20 30 EFEDHM CC[C@@H](C)Oc1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)ccn1 ZINC001590415999 1093411249 /nfs/dbraw/zinc/41/12/49/1093411249.db2.gz FOLGXRFXZSBDEF-GFCCVEGCSA-N -1 3 349.398 2.923 20 30 EFEDHM CC[C@H](CC#N)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001590420041 1093413704 /nfs/dbraw/zinc/41/37/04/1093413704.db2.gz UIJDXDHOKADUGY-IUODEOHRSA-N -1 3 343.387 2.506 20 30 EFEDHM CC[C@H](CC#N)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001590420041 1093413709 /nfs/dbraw/zinc/41/37/09/1093413709.db2.gz UIJDXDHOKADUGY-IUODEOHRSA-N -1 3 343.387 2.506 20 30 EFEDHM CC[C@@H](CC#N)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001590420044 1093413754 /nfs/dbraw/zinc/41/37/54/1093413754.db2.gz UIJDXDHOKADUGY-SWLSCSKDSA-N -1 3 343.387 2.506 20 30 EFEDHM CC[C@@H](CC#N)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001590420044 1093413760 /nfs/dbraw/zinc/41/37/60/1093413760.db2.gz UIJDXDHOKADUGY-SWLSCSKDSA-N -1 3 343.387 2.506 20 30 EFEDHM COc1cc(C(=O)/C=C\c2cn(C(C)(C)C)nn2)c(OC)cc1[O-] ZINC000588578883 1093437609 /nfs/dbraw/zinc/43/76/09/1093437609.db2.gz BKSWAZFPFFSYJI-SREVYHEPSA-N -1 3 331.372 2.652 20 30 EFEDHM CCCCCCCN[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC001590592453 1093502391 /nfs/dbraw/zinc/50/23/91/1093502391.db2.gz SCAUBZVPIOCIRM-OAHLLOKOSA-N -1 3 331.420 2.641 20 30 EFEDHM CCCCCCCN[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC001590592453 1093502397 /nfs/dbraw/zinc/50/23/97/1093502397.db2.gz SCAUBZVPIOCIRM-OAHLLOKOSA-N -1 3 331.420 2.641 20 30 EFEDHM CCCCCCCCNC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001590592239 1093503781 /nfs/dbraw/zinc/50/37/81/1093503781.db2.gz JOYRWUDMXFVXAQ-UHFFFAOYSA-N -1 3 347.423 2.752 20 30 EFEDHM CCCCCCC[C@@H](C)CNC(=O)c1cnccc1-c1nnn[n-]1 ZINC001590592883 1093504587 /nfs/dbraw/zinc/50/45/87/1093504587.db2.gz NWIURPHGZDZYCV-CYBMUJFWSA-N -1 3 330.436 2.988 20 30 EFEDHM CCCCCCC[C@@H](C)CNC(=O)c1cnccc1-c1nn[n-]n1 ZINC001590592883 1093504601 /nfs/dbraw/zinc/50/46/01/1093504601.db2.gz NWIURPHGZDZYCV-CYBMUJFWSA-N -1 3 330.436 2.988 20 30 EFEDHM CCCCCCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590594865 1093506203 /nfs/dbraw/zinc/50/62/03/1093506203.db2.gz VIIFGTTWYGKSHM-UHFFFAOYSA-N -1 3 342.396 2.685 20 30 EFEDHM CCCCCCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590594865 1093506213 /nfs/dbraw/zinc/50/62/13/1093506213.db2.gz VIIFGTTWYGKSHM-UHFFFAOYSA-N -1 3 342.396 2.685 20 30 EFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#CC(C)(C)C ZINC001590627574 1093523376 /nfs/dbraw/zinc/52/33/76/1093523376.db2.gz HCSBGVVDNPZKOE-UHFFFAOYSA-N -1 3 325.416 2.655 20 30 EFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#CC(C)(C)C ZINC001590627574 1093523380 /nfs/dbraw/zinc/52/33/80/1093523380.db2.gz HCSBGVVDNPZKOE-UHFFFAOYSA-N -1 3 325.416 2.655 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)o1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590674353 1093542742 /nfs/dbraw/zinc/54/27/42/1093542742.db2.gz ZHDAOCGONBRATQ-LLVKDONJSA-N -1 3 336.355 2.555 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)o1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590674353 1093542746 /nfs/dbraw/zinc/54/27/46/1093542746.db2.gz ZHDAOCGONBRATQ-LLVKDONJSA-N -1 3 336.355 2.555 20 30 EFEDHM CCN(C(=O)c1ccc(C)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001590673257 1093543268 /nfs/dbraw/zinc/54/32/68/1093543268.db2.gz BTDGFOVOWNDWHH-UHFFFAOYSA-N -1 3 332.367 2.714 20 30 EFEDHM CCN(C(=O)c1ccc(C)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001590673257 1093543276 /nfs/dbraw/zinc/54/32/76/1093543276.db2.gz BTDGFOVOWNDWHH-UHFFFAOYSA-N -1 3 332.367 2.714 20 30 EFEDHM CCNc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590748383 1093562980 /nfs/dbraw/zinc/56/29/80/1093562980.db2.gz SLVRUJBIFRJAGX-UHFFFAOYSA-N -1 3 337.362 2.921 20 30 EFEDHM CCNc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590748383 1093562987 /nfs/dbraw/zinc/56/29/87/1093562987.db2.gz SLVRUJBIFRJAGX-UHFFFAOYSA-N -1 3 337.362 2.921 20 30 EFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)c(F)c1 ZINC001590748854 1093563402 /nfs/dbraw/zinc/56/34/02/1093563402.db2.gz KOKWLPNIIZJGLH-UHFFFAOYSA-N -1 3 337.362 2.921 20 30 EFEDHM CCOc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590825731 1093582942 /nfs/dbraw/zinc/58/29/42/1093582942.db2.gz JVVQXPIBOXWOSN-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590825731 1093582949 /nfs/dbraw/zinc/58/29/49/1093582949.db2.gz JVVQXPIBOXWOSN-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1O ZINC001590826086 1093583916 /nfs/dbraw/zinc/58/39/16/1093583916.db2.gz RTIXJFFEQMOLHC-OQFOIZHKSA-N -1 3 336.351 2.867 20 30 EFEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC001590826086 1093583921 /nfs/dbraw/zinc/58/39/21/1093583921.db2.gz RTIXJFFEQMOLHC-OQFOIZHKSA-N -1 3 336.351 2.867 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@]1(C#N)CC12CCCC2 ZINC001590877735 1093611231 /nfs/dbraw/zinc/61/12/31/1093611231.db2.gz LUMYTKUTHXPRKD-GOSISDBHSA-N -1 3 337.383 2.809 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@]1(C#N)CC12CCCC2 ZINC001590877735 1093611234 /nfs/dbraw/zinc/61/12/34/1093611234.db2.gz LUMYTKUTHXPRKD-GOSISDBHSA-N -1 3 337.383 2.809 20 30 EFEDHM CCc1ccc([C@@H](C#N)N(C)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001590886806 1093615605 /nfs/dbraw/zinc/61/56/05/1093615605.db2.gz OHRJUVCQQDIQEU-QGZVFWFLSA-N -1 3 346.394 2.766 20 30 EFEDHM CCc1ccc([C@@H](C#N)N(C)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001590886806 1093615609 /nfs/dbraw/zinc/61/56/09/1093615609.db2.gz OHRJUVCQQDIQEU-QGZVFWFLSA-N -1 3 346.394 2.766 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)c1ccccc1C#N ZINC001590986545 1093646963 /nfs/dbraw/zinc/64/69/63/1093646963.db2.gz GMYRWGNIVFXFGS-JKSUJKDBSA-N -1 3 344.378 2.505 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)c1ccccc1C#N ZINC001590986545 1093646965 /nfs/dbraw/zinc/64/69/65/1093646965.db2.gz GMYRWGNIVFXFGS-JKSUJKDBSA-N -1 3 344.378 2.505 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC001590985172 1093647333 /nfs/dbraw/zinc/64/73/33/1093647333.db2.gz JPICKQYVWINDKE-ZWNOBZJWSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC001590985172 1093647334 /nfs/dbraw/zinc/64/73/34/1093647334.db2.gz JPICKQYVWINDKE-ZWNOBZJWSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(CCOCc1ccc(-c2nnn[n-]2)cc1)[C@H](C#N)c1ccccc1 ZINC001591116735 1093662224 /nfs/dbraw/zinc/66/22/24/1093662224.db2.gz XOFBGCLEPUGXPQ-GOSISDBHSA-N -1 3 348.410 2.580 20 30 EFEDHM CN(CCOCc1ccc(-c2nn[n-]n2)cc1)[C@H](C#N)c1ccccc1 ZINC001591116735 1093662227 /nfs/dbraw/zinc/66/22/27/1093662227.db2.gz XOFBGCLEPUGXPQ-GOSISDBHSA-N -1 3 348.410 2.580 20 30 EFEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1nc(C#N)c(Cl)s1 ZINC001591131653 1093666161 /nfs/dbraw/zinc/66/61/61/1093666161.db2.gz VPXOSWXQGSQZAO-UHFFFAOYSA-N -1 3 337.821 2.546 20 30 EFEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1nc(C#N)c(Cl)s1 ZINC001591131653 1093666171 /nfs/dbraw/zinc/66/61/71/1093666171.db2.gz VPXOSWXQGSQZAO-UHFFFAOYSA-N -1 3 337.821 2.546 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC001591135491 1093667984 /nfs/dbraw/zinc/66/79/84/1093667984.db2.gz PHUQOCTUKMTDJR-UHFFFAOYSA-N -1 3 347.382 2.597 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC001591135491 1093667988 /nfs/dbraw/zinc/66/79/88/1093667988.db2.gz PHUQOCTUKMTDJR-UHFFFAOYSA-N -1 3 347.382 2.597 20 30 EFEDHM CN1CCc2cc(C=C3Cc4ccc(-c5nnn[n-]5)cc4C3=O)ccc21 ZINC001591195927 1093677885 /nfs/dbraw/zinc/67/78/85/1093677885.db2.gz FELWBFWZYAJIPE-SXGWCWSVSA-N -1 3 343.390 2.681 20 30 EFEDHM CN1CCc2cc(C=C3Cc4ccc(-c5nn[n-]n5)cc4C3=O)ccc21 ZINC001591195927 1093677886 /nfs/dbraw/zinc/67/78/86/1093677886.db2.gz FELWBFWZYAJIPE-SXGWCWSVSA-N -1 3 343.390 2.681 20 30 EFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)cc1 ZINC001591290805 1093684080 /nfs/dbraw/zinc/68/40/80/1093684080.db2.gz OSRJVGZDANLUHY-ONNFQVAWSA-N -1 3 348.362 2.858 20 30 EFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)cc1 ZINC001591290805 1093684083 /nfs/dbraw/zinc/68/40/83/1093684083.db2.gz OSRJVGZDANLUHY-ONNFQVAWSA-N -1 3 348.362 2.858 20 30 EFEDHM COc1cc(C#N)ccc1COc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001591509416 1093746047 /nfs/dbraw/zinc/74/60/47/1093746047.db2.gz WQTNUKQFMXMZMT-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C#N)ccc1COc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001591509416 1093746051 /nfs/dbraw/zinc/74/60/51/1093746051.db2.gz WQTNUKQFMXMZMT-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C#N)cc(Cl)c1OCc1ccccc1-c1nnn[n-]1 ZINC001591506060 1093746149 /nfs/dbraw/zinc/74/61/49/1093746149.db2.gz APRUQCFXKNPTDH-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C#N)cc(Cl)c1OCc1ccccc1-c1nn[n-]n1 ZINC001591506060 1093746154 /nfs/dbraw/zinc/74/61/54/1093746154.db2.gz APRUQCFXKNPTDH-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(C=NNc2ccc(F)c(F)c2F)ccc1-c1nnn[n-]1 ZINC001591523220 1093750626 /nfs/dbraw/zinc/75/06/26/1093750626.db2.gz REGYGNPTRMPKEW-UHFFFAOYSA-N -1 3 348.288 2.739 20 30 EFEDHM COc1cc(C=NNc2ccc(F)c(F)c2F)ccc1-c1nn[n-]n1 ZINC001591523220 1093750631 /nfs/dbraw/zinc/75/06/31/1093750631.db2.gz REGYGNPTRMPKEW-UHFFFAOYSA-N -1 3 348.288 2.739 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1OC ZINC001591582509 1093780517 /nfs/dbraw/zinc/78/05/17/1093780517.db2.gz BAQZXDKOLKEJNA-VGOFMYFVSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1OC ZINC001591582509 1093780525 /nfs/dbraw/zinc/78/05/25/1093780525.db2.gz BAQZXDKOLKEJNA-VGOFMYFVSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)c(OC)c1 ZINC001591583060 1093783430 /nfs/dbraw/zinc/78/34/30/1093783430.db2.gz ZOFNHFWEPOLISQ-NTMALXAHSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)c(OC)c1 ZINC001591583060 1093783434 /nfs/dbraw/zinc/78/34/34/1093783434.db2.gz ZOFNHFWEPOLISQ-NTMALXAHSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(NN=Cc2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC001591618590 1093802186 /nfs/dbraw/zinc/80/21/86/1093802186.db2.gz STQVJRGHDPENJT-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1ccc(NN=Cc2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC001591618590 1093802191 /nfs/dbraw/zinc/80/21/91/1093802191.db2.gz STQVJRGHDPENJT-UHFFFAOYSA-N -1 3 330.298 2.600 20 30 EFEDHM COc1ccc2c(c1)CC[C@@H](Nc1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001591627552 1093805962 /nfs/dbraw/zinc/80/59/62/1093805962.db2.gz ZXSJQGHOBODWOD-OAHLLOKOSA-N -1 3 346.394 2.716 20 30 EFEDHM COc1ccc2c(c1)CC[C@@H](Nc1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001591627552 1093805969 /nfs/dbraw/zinc/80/59/69/1093805969.db2.gz ZXSJQGHOBODWOD-OAHLLOKOSA-N -1 3 346.394 2.716 20 30 EFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1OC ZINC001591634329 1093807404 /nfs/dbraw/zinc/80/74/04/1093807404.db2.gz AGKIJNPFVFCBMC-ZHACJKMWSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1OC ZINC001591634329 1093807412 /nfs/dbraw/zinc/80/74/12/1093807412.db2.gz AGKIJNPFVFCBMC-ZHACJKMWSA-N -1 3 336.351 2.780 20 30 EFEDHM C[Si](C)(C)c1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001591779610 1093857230 /nfs/dbraw/zinc/85/72/30/1093857230.db2.gz KVILZHDLPGFAQS-UHFFFAOYSA-N -1 3 348.486 2.896 20 30 EFEDHM C[Si](C)(C)c1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001591779610 1093857236 /nfs/dbraw/zinc/85/72/36/1093857236.db2.gz KVILZHDLPGFAQS-UHFFFAOYSA-N -1 3 348.486 2.896 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)CCCCCC#N)c1-c1nnn[n-]1 ZINC001591798503 1093862365 /nfs/dbraw/zinc/86/23/65/1093862365.db2.gz LHOUBTAGQKRSIK-UHFFFAOYSA-N -1 3 337.387 2.840 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)CCCCCC#N)c1-c1nn[n-]n1 ZINC001591798503 1093862369 /nfs/dbraw/zinc/86/23/69/1093862369.db2.gz LHOUBTAGQKRSIK-UHFFFAOYSA-N -1 3 337.387 2.840 20 30 EFEDHM Cc1c(C#N)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)n2ccccc12 ZINC001591799502 1093862523 /nfs/dbraw/zinc/86/25/23/1093862523.db2.gz MBZXKUOSJHCKGZ-UHFFFAOYSA-N -1 3 343.350 2.552 20 30 EFEDHM Cc1c(C#N)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)n2ccccc12 ZINC001591799502 1093862527 /nfs/dbraw/zinc/86/25/27/1093862527.db2.gz MBZXKUOSJHCKGZ-UHFFFAOYSA-N -1 3 343.350 2.552 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001591801329 1093863678 /nfs/dbraw/zinc/86/36/78/1093863678.db2.gz ARHVLUOOYHTSDZ-UHFFFAOYSA-N -1 3 345.366 2.595 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001591801329 1093863679 /nfs/dbraw/zinc/86/36/79/1093863679.db2.gz ARHVLUOOYHTSDZ-UHFFFAOYSA-N -1 3 345.366 2.595 20 30 EFEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)O[C@@H](C#N)C1CC1 ZINC001591813918 1093868846 /nfs/dbraw/zinc/86/88/46/1093868846.db2.gz XIXNZPDQTYTHIL-LBPRGKRZSA-N -1 3 339.380 2.849 20 30 EFEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)O[C@@H](C#N)C1CC1 ZINC001591813918 1093868851 /nfs/dbraw/zinc/86/88/51/1093868851.db2.gz XIXNZPDQTYTHIL-LBPRGKRZSA-N -1 3 339.380 2.849 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NN[C@H]1CC(C)(C)OC1(C)C ZINC001591839365 1093880562 /nfs/dbraw/zinc/88/05/62/1093880562.db2.gz MLWFTVYJNFVNTB-HNNXBMFYSA-N -1 3 342.447 2.753 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NN[C@H]1CC(C)(C)OC1(C)C ZINC001591839365 1093880570 /nfs/dbraw/zinc/88/05/70/1093880570.db2.gz MLWFTVYJNFVNTB-HNNXBMFYSA-N -1 3 342.447 2.753 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1cccc(CC#N)c1 ZINC001591844496 1093880921 /nfs/dbraw/zinc/88/09/21/1093880921.db2.gz KOAPKMLOGBBOLD-UHFFFAOYSA-N -1 3 346.394 2.731 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1cccc(CC#N)c1 ZINC001591844496 1093880924 /nfs/dbraw/zinc/88/09/24/1093880924.db2.gz KOAPKMLOGBBOLD-UHFFFAOYSA-N -1 3 346.394 2.731 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)OCCC(C)(C)C#N ZINC001591845009 1093881328 /nfs/dbraw/zinc/88/13/28/1093881328.db2.gz KPSLLMZWJKAVRL-UHFFFAOYSA-N -1 3 327.388 2.509 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)OCCC(C)(C)C#N ZINC001591845009 1093881338 /nfs/dbraw/zinc/88/13/38/1093881338.db2.gz KPSLLMZWJKAVRL-UHFFFAOYSA-N -1 3 327.388 2.509 20 30 EFEDHM Cc1cc(C(=O)N(C)c2ccccc2C#N)cc(C)c1-c1nnn[n-]1 ZINC001591909262 1093912663 /nfs/dbraw/zinc/91/26/63/1093912663.db2.gz ZGBUALZHUQGPLZ-UHFFFAOYSA-N -1 3 332.367 2.632 20 30 EFEDHM Cc1cc(C(=O)N(C)c2ccccc2C#N)cc(C)c1-c1nn[n-]n1 ZINC001591909262 1093912665 /nfs/dbraw/zinc/91/26/65/1093912665.db2.gz ZGBUALZHUQGPLZ-UHFFFAOYSA-N -1 3 332.367 2.632 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001591906630 1093913039 /nfs/dbraw/zinc/91/30/39/1093913039.db2.gz TWEVNZVMWDZJJG-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001591906630 1093913048 /nfs/dbraw/zinc/91/30/48/1093913048.db2.gz TWEVNZVMWDZJJG-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C)c1C#N ZINC001591919708 1093917400 /nfs/dbraw/zinc/91/74/00/1093917400.db2.gz UXWZIXKNOOEADR-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(C)c1C#N ZINC001591919708 1093917408 /nfs/dbraw/zinc/91/74/08/1093917408.db2.gz UXWZIXKNOOEADR-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(C3CC3)c(C#N)c2)ncc1-c1nnn[n-]1 ZINC001591933377 1093918734 /nfs/dbraw/zinc/91/87/34/1093918734.db2.gz JMAQUFSIGNYLJI-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(C3CC3)c(C#N)c2)ncc1-c1nn[n-]n1 ZINC001591933377 1093918740 /nfs/dbraw/zinc/91/87/40/1093918740.db2.gz JMAQUFSIGNYLJI-UHFFFAOYSA-N -1 3 345.366 2.572 20 30 EFEDHM Cc1cc(C)c(C#N)c(NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)n1 ZINC001591945365 1093927171 /nfs/dbraw/zinc/92/71/71/1093927171.db2.gz HIXIBWNFCHIIKA-UHFFFAOYSA-N -1 3 347.382 2.619 20 30 EFEDHM Cc1cc(C)c(C#N)c(NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)n1 ZINC001591945365 1093927174 /nfs/dbraw/zinc/92/71/74/1093927174.db2.gz HIXIBWNFCHIIKA-UHFFFAOYSA-N -1 3 347.382 2.619 20 30 EFEDHM Cc1cc(COC(=O)c2ccc(F)c(C#N)c2)ccc1-c1nnn[n-]1 ZINC001591971381 1093940271 /nfs/dbraw/zinc/94/02/71/1093940271.db2.gz PEUZVHBXXRZQEC-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(COC(=O)c2ccc(F)c(C#N)c2)ccc1-c1nn[n-]n1 ZINC001591971381 1093940272 /nfs/dbraw/zinc/94/02/72/1093940272.db2.gz PEUZVHBXXRZQEC-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(Cl)c2ncc(-c3nnn[n-]3)c(NC[C@H](C)C#N)c2c1 ZINC001591976036 1093941715 /nfs/dbraw/zinc/94/17/15/1093941715.db2.gz ZLBVBANBOMTTEK-SECBINFHSA-N -1 3 327.779 2.948 20 30 EFEDHM Cc1cc(Cl)c2ncc(-c3nn[n-]n3)c(NC[C@H](C)C#N)c2c1 ZINC001591976036 1093941719 /nfs/dbraw/zinc/94/17/19/1093941719.db2.gz ZLBVBANBOMTTEK-SECBINFHSA-N -1 3 327.779 2.948 20 30 EFEDHM Cc1cc(Cn2ccc(-c3ccc(C#N)cc3)n2)ccc1-c1nnn[n-]1 ZINC001591977456 1093943103 /nfs/dbraw/zinc/94/31/03/1093943103.db2.gz IVZIAYCYCNRBES-UHFFFAOYSA-N -1 3 341.378 2.959 20 30 EFEDHM Cc1cc(Cn2ccc(-c3ccc(C#N)cc3)n2)ccc1-c1nn[n-]n1 ZINC001591977456 1093943105 /nfs/dbraw/zinc/94/31/05/1093943105.db2.gz IVZIAYCYCNRBES-UHFFFAOYSA-N -1 3 341.378 2.959 20 30 EFEDHM Cc1cc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)ccc1C#N ZINC001591978164 1093943420 /nfs/dbraw/zinc/94/34/20/1093943420.db2.gz XNLPVLJVZQSGSI-UHFFFAOYSA-N -1 3 341.378 2.959 20 30 EFEDHM Cc1cc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)ccc1C#N ZINC001591978164 1093943424 /nfs/dbraw/zinc/94/34/24/1093943424.db2.gz XNLPVLJVZQSGSI-UHFFFAOYSA-N -1 3 341.378 2.959 20 30 EFEDHM Cc1cc(F)c(C#N)c(NCc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001591987089 1093947554 /nfs/dbraw/zinc/94/75/54/1093947554.db2.gz XZHGMAJGNYPVQT-UHFFFAOYSA-N -1 3 326.310 2.937 20 30 EFEDHM Cc1cc(F)c(C#N)c(NCc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001591987089 1093947555 /nfs/dbraw/zinc/94/75/55/1093947555.db2.gz XZHGMAJGNYPVQT-UHFFFAOYSA-N -1 3 326.310 2.937 20 30 EFEDHM Cc1cc(F)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(F)c1 ZINC001591988466 1093948876 /nfs/dbraw/zinc/94/88/76/1093948876.db2.gz XDYACGGZXRJUSS-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(F)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(F)c1 ZINC001591988466 1093948881 /nfs/dbraw/zinc/94/88/81/1093948881.db2.gz XDYACGGZXRJUSS-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001592016302 1093953836 /nfs/dbraw/zinc/95/38/36/1093953836.db2.gz PZIUSNYUSAQXBT-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001592016302 1093953841 /nfs/dbraw/zinc/95/38/41/1093953841.db2.gz PZIUSNYUSAQXBT-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1cc(N[C@H]2CCCc3cc(C#N)ccc32)ncc1-c1nnn[n-]1 ZINC001592039064 1093964015 /nfs/dbraw/zinc/96/40/15/1093964015.db2.gz UCOXDQJNYJATSL-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1cc(N[C@H]2CCCc3cc(C#N)ccc32)ncc1-c1nn[n-]n1 ZINC001592039064 1093964019 /nfs/dbraw/zinc/96/40/19/1093964019.db2.gz UCOXDQJNYJATSL-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1cc(OC(=O)c2cscc2-c2nnn[n-]2)c(C)c(C)c1C#N ZINC001592061148 1093972110 /nfs/dbraw/zinc/97/21/10/1093972110.db2.gz WDYFPOMSJOGDMR-UHFFFAOYSA-N -1 3 339.380 2.944 20 30 EFEDHM Cc1cc(OC(=O)c2cscc2-c2nn[n-]n2)c(C)c(C)c1C#N ZINC001592061148 1093972111 /nfs/dbraw/zinc/97/21/11/1093972111.db2.gz WDYFPOMSJOGDMR-UHFFFAOYSA-N -1 3 339.380 2.944 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC001592099031 1093979250 /nfs/dbraw/zinc/97/92/50/1093979250.db2.gz FYYXLCUJHGBPCR-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC001592099031 1093979251 /nfs/dbraw/zinc/97/92/51/1093979251.db2.gz FYYXLCUJHGBPCR-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC001592100533 1093980791 /nfs/dbraw/zinc/98/07/91/1093980791.db2.gz PXQFDOSYFAHMQH-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC001592100533 1093980797 /nfs/dbraw/zinc/98/07/97/1093980797.db2.gz PXQFDOSYFAHMQH-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(C)cc(C#N)cc1C ZINC001592107358 1093983182 /nfs/dbraw/zinc/98/31/82/1093983182.db2.gz RDXOVMRLMUMWBJ-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(C)cc(C#N)cc1C ZINC001592107358 1093983183 /nfs/dbraw/zinc/98/31/83/1093983183.db2.gz RDXOVMRLMUMWBJ-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001592113622 1093984955 /nfs/dbraw/zinc/98/49/55/1093984955.db2.gz UFBXQXBXJKGAKB-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001592113622 1093984962 /nfs/dbraw/zinc/98/49/62/1093984962.db2.gz UFBXQXBXJKGAKB-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1C#N ZINC001592133672 1093992352 /nfs/dbraw/zinc/99/23/52/1093992352.db2.gz SFZPXXFDUNVPTM-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1C#N ZINC001592133672 1093992356 /nfs/dbraw/zinc/99/23/56/1093992356.db2.gz SFZPXXFDUNVPTM-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C)c2c1OCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001592140791 1093995667 /nfs/dbraw/zinc/99/56/67/1093995667.db2.gz UJAJCDQUOXRJOH-UHFFFAOYSA-N -1 3 348.410 2.760 20 30 EFEDHM Cc1ccc(C)c2c1OCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001592140791 1093995673 /nfs/dbraw/zinc/99/56/73/1093995673.db2.gz UJAJCDQUOXRJOH-UHFFFAOYSA-N -1 3 348.410 2.760 20 30 EFEDHM Cc1cccc(Cl)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001592232576 1094040512 /nfs/dbraw/zinc/04/05/12/1094040512.db2.gz WBGGAVOGIMTQOU-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1cccc(Cl)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001592232576 1094040519 /nfs/dbraw/zinc/04/05/19/1094040519.db2.gz WBGGAVOGIMTQOU-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001592249322 1094048047 /nfs/dbraw/zinc/04/80/47/1094048047.db2.gz OCEIJTPENVNOPO-LBPRGKRZSA-N -1 3 332.367 2.789 20 30 EFEDHM Cc1ccccc1[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001592249322 1094048052 /nfs/dbraw/zinc/04/80/52/1094048052.db2.gz OCEIJTPENVNOPO-LBPRGKRZSA-N -1 3 332.367 2.789 20 30 EFEDHM Cc1cccc2ncc(C=CC(=O)c3ccccc3-c3nnn[n-]3)n21 ZINC001592245820 1094048157 /nfs/dbraw/zinc/04/81/57/1094048157.db2.gz AQXXIKYKZWZUIA-MDZDMXLPSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cccc2ncc(C=CC(=O)c3ccccc3-c3nn[n-]n3)n21 ZINC001592245820 1094048161 /nfs/dbraw/zinc/04/81/61/1094048161.db2.gz AQXXIKYKZWZUIA-MDZDMXLPSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccnc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1C#N ZINC001592273037 1094061095 /nfs/dbraw/zinc/06/10/95/1094061095.db2.gz PQZABMXSMMBDEE-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccnc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1C#N ZINC001592273037 1094061100 /nfs/dbraw/zinc/06/11/00/1094061100.db2.gz PQZABMXSMMBDEE-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1nc(NC(C)(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001592377549 1094092521 /nfs/dbraw/zinc/09/25/21/1094092521.db2.gz UEZNRKQEQABQGG-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1nc(NC(C)(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001592377549 1094092528 /nfs/dbraw/zinc/09/25/28/1094092528.db2.gz UEZNRKQEQABQGG-UHFFFAOYSA-N -1 3 333.399 2.875 20 30 EFEDHM Cc1nc(NCc2cccc(-c3nn[n-]n3)c2)c(Cl)cc1C#N ZINC001592395602 1094100046 /nfs/dbraw/zinc/10/00/46/1094100046.db2.gz KDFABQKVNUMEJH-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1nc(NCc2cccc(-c3nnn[n-]3)c2)c(Cl)cc1C#N ZINC001592395602 1094100043 /nfs/dbraw/zinc/10/00/43/1094100043.db2.gz KDFABQKVNUMEJH-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001592429783 1094105057 /nfs/dbraw/zinc/10/50/57/1094105057.db2.gz SMDZJAAEBPATMP-ALCCZGGFSA-N -1 3 340.362 2.988 20 30 EFEDHM Cc1nn(C(C)C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001592429783 1094105059 /nfs/dbraw/zinc/10/50/59/1094105059.db2.gz SMDZJAAEBPATMP-ALCCZGGFSA-N -1 3 340.362 2.988 20 30 EFEDHM Cl/C=C/CON=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001592523029 1094118796 /nfs/dbraw/zinc/11/87/96/1094118796.db2.gz CVESZIOOHWPELU-KFFZPQPNSA-N -1 3 342.790 2.820 20 30 EFEDHM Cl/C=C/CON=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001592523029 1094118798 /nfs/dbraw/zinc/11/87/98/1094118798.db2.gz CVESZIOOHWPELU-KFFZPQPNSA-N -1 3 342.790 2.820 20 30 EFEDHM Cl/C=C\CON=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001592523030 1094118970 /nfs/dbraw/zinc/11/89/70/1094118970.db2.gz CVESZIOOHWPELU-NVGDHGJUSA-N -1 3 342.790 2.820 20 30 EFEDHM Cl/C=C\CON=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001592523030 1094118972 /nfs/dbraw/zinc/11/89/72/1094118972.db2.gz CVESZIOOHWPELU-NVGDHGJUSA-N -1 3 342.790 2.820 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@H]2CC2(Cl)Cl)n1 ZINC001592524905 1094121689 /nfs/dbraw/zinc/12/16/89/1094121689.db2.gz OJHOGNNOWUIWJT-ZCFIWIBFSA-N -1 3 332.582 2.507 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@H]2CC2(Cl)Cl)n1 ZINC001592524905 1094121691 /nfs/dbraw/zinc/12/16/91/1094121691.db2.gz OJHOGNNOWUIWJT-ZCFIWIBFSA-N -1 3 332.582 2.507 20 30 EFEDHM Clc1cc(NN=Cc2cnn(C3CCC3)c2)ccc1-c1nnn[n-]1 ZINC001592526849 1094123360 /nfs/dbraw/zinc/12/33/60/1094123360.db2.gz OWOOGULSELGIMO-UHFFFAOYSA-N -1 3 342.794 2.888 20 30 EFEDHM Clc1cc(NN=Cc2cnn(C3CCC3)c2)ccc1-c1nn[n-]n1 ZINC001592526849 1094123363 /nfs/dbraw/zinc/12/33/63/1094123363.db2.gz OWOOGULSELGIMO-UHFFFAOYSA-N -1 3 342.794 2.888 20 30 EFEDHM Clc1ccccc1C#CCN1CCc2c1cccc2-c1nnn[n-]1 ZINC001592535622 1094129756 /nfs/dbraw/zinc/12/97/56/1094129756.db2.gz IWSMCLSOOVAGQM-UHFFFAOYSA-N -1 3 335.798 2.934 20 30 EFEDHM Clc1ccccc1C#CCN1CCc2c1cccc2-c1nn[n-]n1 ZINC001592535622 1094129757 /nfs/dbraw/zinc/12/97/57/1094129757.db2.gz IWSMCLSOOVAGQM-UHFFFAOYSA-N -1 3 335.798 2.934 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592600178 1094137392 /nfs/dbraw/zinc/13/73/92/1094137392.db2.gz ARILYKWUZQFJEG-MDZDMXLPSA-N -1 3 334.383 2.764 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592600178 1094137395 /nfs/dbraw/zinc/13/73/95/1094137395.db2.gz ARILYKWUZQFJEG-MDZDMXLPSA-N -1 3 334.383 2.764 20 30 EFEDHM Cn1cnc2cc(C=CC(=O)c3ccccc3-c3nnn[n-]3)ccc21 ZINC001592589051 1094137593 /nfs/dbraw/zinc/13/75/93/1094137593.db2.gz QSSCRBCIISAWMZ-CLFYSBASSA-N -1 3 330.351 2.650 20 30 EFEDHM Cn1cnc2cc(C=CC(=O)c3ccccc3-c3nn[n-]n3)ccc21 ZINC001592589051 1094137597 /nfs/dbraw/zinc/13/75/97/1094137597.db2.gz QSSCRBCIISAWMZ-CLFYSBASSA-N -1 3 330.351 2.650 20 30 EFEDHM FC(F)(F)CCNN=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592615340 1094140248 /nfs/dbraw/zinc/14/02/48/1094140248.db2.gz IPZKOFSYHXGJLO-UHFFFAOYSA-N -1 3 338.337 2.839 20 30 EFEDHM FC(F)(F)CCNN=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592615340 1094140250 /nfs/dbraw/zinc/14/02/50/1094140250.db2.gz IPZKOFSYHXGJLO-UHFFFAOYSA-N -1 3 338.337 2.839 20 30 EFEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NCCC[C@@H]1CCO1 ZINC001592619604 1094141471 /nfs/dbraw/zinc/14/14/71/1094141471.db2.gz HLDZFGMLVMCUJA-SNVBAGLBSA-N -1 3 340.309 2.852 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NCCC[C@@H]1CCO1 ZINC001592619604 1094141473 /nfs/dbraw/zinc/14/14/73/1094141473.db2.gz HLDZFGMLVMCUJA-SNVBAGLBSA-N -1 3 340.309 2.852 20 30 EFEDHM Fc1ccc(C=CC=NNCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001592648289 1094161719 /nfs/dbraw/zinc/16/17/19/1094161719.db2.gz GJAJTYZQGSPYFF-XJGNLEOYSA-N -1 3 340.337 2.934 20 30 EFEDHM Fc1ccc(C=CC=NNCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001592648289 1094161722 /nfs/dbraw/zinc/16/17/22/1094161722.db2.gz GJAJTYZQGSPYFF-XJGNLEOYSA-N -1 3 340.337 2.934 20 30 EFEDHM N#C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)C1CCCCC1 ZINC001592668285 1094173069 /nfs/dbraw/zinc/17/30/69/1094173069.db2.gz IXLDTMJZVIHYOX-AWEZNQCLSA-N -1 3 349.398 2.550 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001592668234 1094173337 /nfs/dbraw/zinc/17/33/37/1094173337.db2.gz BIFBVVFXWHRHPQ-SFHVURJKSA-N -1 3 345.410 2.706 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592668234 1094173340 /nfs/dbraw/zinc/17/33/40/1094173340.db2.gz BIFBVVFXWHRHPQ-SFHVURJKSA-N -1 3 345.410 2.706 20 30 EFEDHM N#CC1(COC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)CCCC1 ZINC001592669737 1094173350 /nfs/dbraw/zinc/17/33/50/1094173350.db2.gz LRMCFSNDBIXXFS-UHFFFAOYSA-N -1 3 337.383 2.525 20 30 EFEDHM N#CC1(COC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1 ZINC001592669737 1094173357 /nfs/dbraw/zinc/17/33/57/1094173357.db2.gz LRMCFSNDBIXXFS-UHFFFAOYSA-N -1 3 337.383 2.525 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(-c2nnn[n-]2)ccn1 ZINC001592669243 1094173458 /nfs/dbraw/zinc/17/34/58/1094173458.db2.gz MSKIOYFADMGUQG-ROUUACIJSA-N -1 3 345.410 2.533 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(-c2nn[n-]n2)ccn1 ZINC001592669243 1094173461 /nfs/dbraw/zinc/17/34/61/1094173461.db2.gz MSKIOYFADMGUQG-ROUUACIJSA-N -1 3 345.410 2.533 20 30 EFEDHM N#CC1(CCCOc2cc(Cl)ccc2-c2nnn[n-]2)CCOCC1 ZINC001592668536 1094173803 /nfs/dbraw/zinc/17/38/03/1094173803.db2.gz MGPLRVZBNBZEFH-UHFFFAOYSA-N -1 3 347.806 2.999 20 30 EFEDHM N#CC1(CCCOc2cc(Cl)ccc2-c2nn[n-]n2)CCOCC1 ZINC001592668536 1094173804 /nfs/dbraw/zinc/17/38/04/1094173804.db2.gz MGPLRVZBNBZEFH-UHFFFAOYSA-N -1 3 347.806 2.999 20 30 EFEDHM N#CC1(CNCc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCC1 ZINC001592668952 1094173817 /nfs/dbraw/zinc/17/38/17/1094173817.db2.gz CFBPXEQAEVTDDF-UHFFFAOYSA-N -1 3 336.321 2.669 20 30 EFEDHM N#CC1(CNc2cccc(-n3cccn3)c2-c2nnn[n-]2)CCCC1 ZINC001592670198 1094173829 /nfs/dbraw/zinc/17/38/29/1094173829.db2.gz VOVPVGWYKPWUOW-UHFFFAOYSA-N -1 3 334.387 2.548 20 30 EFEDHM N#CC1(CNc2cccc(-n3cccn3)c2-c2nn[n-]n2)CCCC1 ZINC001592670198 1094173831 /nfs/dbraw/zinc/17/38/31/1094173831.db2.gz VOVPVGWYKPWUOW-UHFFFAOYSA-N -1 3 334.387 2.548 20 30 EFEDHM N#CCC1(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC001592675833 1094175348 /nfs/dbraw/zinc/17/53/48/1094175348.db2.gz WUXHGTZYHJDZFZ-UHFFFAOYSA-N -1 3 339.790 2.596 20 30 EFEDHM N#CCC1(CNc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC001592675833 1094175350 /nfs/dbraw/zinc/17/53/50/1094175350.db2.gz WUXHGTZYHJDZFZ-UHFFFAOYSA-N -1 3 339.790 2.596 20 30 EFEDHM N#CCc1cccc(Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC001592680183 1094176437 /nfs/dbraw/zinc/17/64/37/1094176437.db2.gz QCNUNKROTWWQRH-UHFFFAOYSA-N -1 3 339.290 2.724 20 30 EFEDHM N#CCc1cccc(Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC001592680183 1094176440 /nfs/dbraw/zinc/17/64/40/1094176440.db2.gz QCNUNKROTWWQRH-UHFFFAOYSA-N -1 3 339.290 2.724 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592678789 1094176562 /nfs/dbraw/zinc/17/65/62/1094176562.db2.gz QMOXDJDNELMNRQ-XCVCLJGOSA-N -1 3 331.335 2.665 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592678789 1094176564 /nfs/dbraw/zinc/17/65/64/1094176564.db2.gz QMOXDJDNELMNRQ-XCVCLJGOSA-N -1 3 331.335 2.665 20 30 EFEDHM N#CCc1ccc(NC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001592679936 1094176788 /nfs/dbraw/zinc/17/67/88/1094176788.db2.gz GPCBSFGHQJFVGE-UHFFFAOYSA-N -1 3 344.378 2.603 20 30 EFEDHM N#CCc1ccc(NC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001592679936 1094176791 /nfs/dbraw/zinc/17/67/91/1094176791.db2.gz GPCBSFGHQJFVGE-UHFFFAOYSA-N -1 3 344.378 2.603 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3cnccc3c2)ccc1-c1nnn[n-]1 ZINC001592690227 1094177231 /nfs/dbraw/zinc/17/72/31/1094177231.db2.gz RTCCHBDQZJSFRQ-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3cnccc3c2)ccc1-c1nn[n-]n1 ZINC001592690227 1094177233 /nfs/dbraw/zinc/17/72/33/1094177233.db2.gz RTCCHBDQZJSFRQ-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cc(Cl)ccc1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592688406 1094177330 /nfs/dbraw/zinc/17/73/30/1094177330.db2.gz XBUNAGAPUXYOGP-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(Cl)ccc1NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592688406 1094177331 /nfs/dbraw/zinc/17/73/31/1094177331.db2.gz XBUNAGAPUXYOGP-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(F)cc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592689849 1094177445 /nfs/dbraw/zinc/17/74/45/1094177445.db2.gz WDRMFRIMILMSIO-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC001592687889 1094177664 /nfs/dbraw/zinc/17/76/64/1094177664.db2.gz NIJURXXLWSCTNZ-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC001592687889 1094177667 /nfs/dbraw/zinc/17/76/67/1094177667.db2.gz NIJURXXLWSCTNZ-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)ccc1[N+](=O)[O-] ZINC001592690184 1094177912 /nfs/dbraw/zinc/17/79/12/1094177912.db2.gz OJJGBETXRXNRBZ-OAHLLOKOSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)ccc1[N+](=O)[O-] ZINC001592690184 1094177914 /nfs/dbraw/zinc/17/79/14/1094177914.db2.gz OJJGBETXRXNRBZ-OAHLLOKOSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)cc1-c1nnn[n-]1 ZINC001592695323 1094178505 /nfs/dbraw/zinc/17/85/05/1094178505.db2.gz MOTMGPZKDNOPKY-VIFPVBQESA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H]2CCCC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001592695323 1094178509 /nfs/dbraw/zinc/17/85/09/1094178509.db2.gz MOTMGPZKDNOPKY-VIFPVBQESA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1cc(NCc2c(F)cc(-c3nnn[n-]3)cc2F)ccc1F ZINC001592690400 1094179293 /nfs/dbraw/zinc/17/92/93/1094179293.db2.gz YNFIWQSIZNZWTG-UHFFFAOYSA-N -1 3 330.273 2.768 20 30 EFEDHM N#Cc1cc(NCc2c(F)cc(-c3nn[n-]n3)cc2F)ccc1F ZINC001592690400 1094179297 /nfs/dbraw/zinc/17/92/97/1094179297.db2.gz YNFIWQSIZNZWTG-UHFFFAOYSA-N -1 3 330.273 2.768 20 30 EFEDHM N#Cc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC001592693717 1094179396 /nfs/dbraw/zinc/17/93/96/1094179396.db2.gz YEYNEWPACCGWLP-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(F)c(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC001592693717 1094179400 /nfs/dbraw/zinc/17/94/00/1094179400.db2.gz YEYNEWPACCGWLP-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C2CC2)c1 ZINC001592695468 1094179990 /nfs/dbraw/zinc/17/99/90/1094179990.db2.gz WEJSLRGKNOYYSR-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C2CC2)c1 ZINC001592695468 1094179995 /nfs/dbraw/zinc/17/99/95/1094179995.db2.gz WEJSLRGKNOYYSR-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(NC(=O)c2coc(C(F)F)c2)cc1-c1nnn[n-]1 ZINC001592696145 1094180682 /nfs/dbraw/zinc/18/06/82/1094180682.db2.gz KCAQUVPBQQZUFP-UHFFFAOYSA-N -1 3 330.254 2.521 20 30 EFEDHM N#Cc1ccc(NC(=O)c2coc(C(F)F)c2)cc1-c1nn[n-]n1 ZINC001592696145 1094180683 /nfs/dbraw/zinc/18/06/83/1094180683.db2.gz KCAQUVPBQQZUFP-UHFFFAOYSA-N -1 3 330.254 2.521 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccccc2C(F)F)cc1-c1nnn[n-]1 ZINC001592696058 1094180685 /nfs/dbraw/zinc/18/06/85/1094180685.db2.gz AYLYQUXWZZJXLZ-UHFFFAOYSA-N -1 3 340.293 2.928 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccccc2C(F)F)cc1-c1nn[n-]n1 ZINC001592696058 1094180686 /nfs/dbraw/zinc/18/06/86/1094180686.db2.gz AYLYQUXWZZJXLZ-UHFFFAOYSA-N -1 3 340.293 2.928 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](c2ccncc2)C1 ZINC001592698657 1094181593 /nfs/dbraw/zinc/18/15/93/1094181593.db2.gz GUBQFWUWTDEOIH-OAHLLOKOSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](c2ccncc2)C1 ZINC001592698657 1094181594 /nfs/dbraw/zinc/18/15/94/1094181594.db2.gz GUBQFWUWTDEOIH-OAHLLOKOSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cccc(C=O)c1Cl ZINC001592700759 1094181734 /nfs/dbraw/zinc/18/17/34/1094181734.db2.gz UELSSIFTWAOLHW-UHFFFAOYSA-N -1 3 325.715 2.997 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cccc(C=O)c1Cl ZINC001592700759 1094181736 /nfs/dbraw/zinc/18/17/36/1094181736.db2.gz UELSSIFTWAOLHW-UHFFFAOYSA-N -1 3 325.715 2.997 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Sc1nc2ncccc2s1 ZINC001592700645 1094181751 /nfs/dbraw/zinc/18/17/51/1094181751.db2.gz NXYXDOSQNWRGCD-UHFFFAOYSA-N -1 3 337.393 2.894 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Sc1nc2ncccc2s1 ZINC001592700645 1094181754 /nfs/dbraw/zinc/18/17/54/1094181754.db2.gz NXYXDOSQNWRGCD-UHFFFAOYSA-N -1 3 337.393 2.894 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1CCSC2(CCC2)C1 ZINC001592699074 1094182099 /nfs/dbraw/zinc/18/20/99/1094182099.db2.gz PCVITYOTCOJSMQ-LBPRGKRZSA-N -1 3 326.429 2.969 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1CCSC2(CCC2)C1 ZINC001592699074 1094182103 /nfs/dbraw/zinc/18/21/03/1094182103.db2.gz PCVITYOTCOJSMQ-LBPRGKRZSA-N -1 3 326.429 2.969 20 30 EFEDHM N#Cc1ccccc1OCCN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592702284 1094182699 /nfs/dbraw/zinc/18/26/99/1094182699.db2.gz ZRDYOJJZCXURSB-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc2c1CN(Cc1cc(Cl)cc(-c3nnn[n-]3)c1)C2 ZINC001592703215 1094182849 /nfs/dbraw/zinc/18/28/49/1094182849.db2.gz JCAIBLKQBUMHDW-UHFFFAOYSA-N -1 3 336.786 2.908 20 30 EFEDHM N#Cc1cccc2c1CN(Cc1cc(Cl)cc(-c3nn[n-]n3)c1)C2 ZINC001592703215 1094182852 /nfs/dbraw/zinc/18/28/52/1094182852.db2.gz JCAIBLKQBUMHDW-UHFFFAOYSA-N -1 3 336.786 2.908 20 30 EFEDHM N#Cc1ccccc1-c1ccc(Cn2cc(-c3nnn[n-]3)cn2)cc1 ZINC001592703305 1094183472 /nfs/dbraw/zinc/18/34/72/1094183472.db2.gz NENBXFBSFKINSS-UHFFFAOYSA-N -1 3 327.351 2.650 20 30 EFEDHM N#Cc1ccccc1-c1ccc(Cn2cc(-c3nn[n-]n3)cn2)cc1 ZINC001592703305 1094183477 /nfs/dbraw/zinc/18/34/77/1094183477.db2.gz NENBXFBSFKINSS-UHFFFAOYSA-N -1 3 327.351 2.650 20 30 EFEDHM N#Cc1cnc(Oc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC001592704863 1094183500 /nfs/dbraw/zinc/18/35/00/1094183500.db2.gz WPQJKVMNGHZGFU-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1ccccc1C=Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001592703362 1094183524 /nfs/dbraw/zinc/18/35/24/1094183524.db2.gz QULYBDWLKMOSNO-CMDGGOBGSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccccc1C=Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001592703362 1094183528 /nfs/dbraw/zinc/18/35/28/1094183528.db2.gz QULYBDWLKMOSNO-CMDGGOBGSA-N -1 3 341.334 2.959 20 30 EFEDHM O=C(C=Cc1ccc(-n2cccn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592791903 1094187922 /nfs/dbraw/zinc/18/79/22/1094187922.db2.gz RHGYMEFSKPMFMQ-WCIBSUBMSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccc(-n2cccn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592791903 1094187924 /nfs/dbraw/zinc/18/79/24/1094187924.db2.gz RHGYMEFSKPMFMQ-WCIBSUBMSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cn2ccccc2n1 ZINC001592791764 1094188461 /nfs/dbraw/zinc/18/84/61/1094188461.db2.gz KQIUTOLZIYNFAV-ALCCZGGFSA-N -1 3 334.314 2.550 20 30 EFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cn2ccccc2n1 ZINC001592791764 1094188465 /nfs/dbraw/zinc/18/84/65/1094188465.db2.gz KQIUTOLZIYNFAV-ALCCZGGFSA-N -1 3 334.314 2.550 20 30 EFEDHM O=C1C(=Cc2ccc(F)c(F)c2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593380478 1094302445 /nfs/dbraw/zinc/30/24/45/1094302445.db2.gz RCFVHQLZNQOMTE-VZUCSPMQSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2ccc(F)c(F)c2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593380478 1094302454 /nfs/dbraw/zinc/30/24/54/1094302454.db2.gz RCFVHQLZNQOMTE-VZUCSPMQSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1c2cc(O)ccc2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593379810 1094303967 /nfs/dbraw/zinc/30/39/67/1094303967.db2.gz KCJJUETXVBFWSH-KPKJPENVSA-N -1 3 336.326 2.924 20 30 EFEDHM O=C1c2cc(O)ccc2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001593379810 1094303975 /nfs/dbraw/zinc/30/39/75/1094303975.db2.gz KCJJUETXVBFWSH-KPKJPENVSA-N -1 3 336.326 2.924 20 30 EFEDHM O=C1C(=Cc2ccc(F)c(F)c2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593380479 1094304270 /nfs/dbraw/zinc/30/42/70/1094304270.db2.gz RCFVHQLZNQOMTE-WZUFQYTHSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2ccc(F)c(F)c2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593380479 1094304273 /nfs/dbraw/zinc/30/42/73/1094304273.db2.gz RCFVHQLZNQOMTE-WZUFQYTHSA-N -1 3 339.305 2.752 20 30 EFEDHM C#C[C@H](CC)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796848650 1094365330 /nfs/dbraw/zinc/36/53/30/1094365330.db2.gz BBJQSQSLSSGDIP-GFCCVEGCSA-N -1 3 349.330 2.646 20 30 EFEDHM C#C[C@@H](CC)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796848653 1094366630 /nfs/dbraw/zinc/36/66/30/1094366630.db2.gz BBJQSQSLSSGDIP-LBPRGKRZSA-N -1 3 349.330 2.646 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2C)cc1 ZINC000782911569 1094399912 /nfs/dbraw/zinc/39/99/12/1094399912.db2.gz WSWYNLCWOYWIAW-UHFFFAOYSA-N -1 3 349.383 2.956 20 30 EFEDHM Cc1c(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC001600011318 1094718447 /nfs/dbraw/zinc/71/84/47/1094718447.db2.gz FCSJNGDCEMTEAD-MRXNPFEDSA-N -1 3 325.324 2.690 20 30 EFEDHM Cc1nn(CCC(=O)[O-])c(C)c1CN(C)CCc1cccc(C#N)c1 ZINC001600785138 1095330688 /nfs/dbraw/zinc/33/06/88/1095330688.db2.gz ZXMROTGKWMZZOM-UHFFFAOYSA-N -1 3 340.427 2.521 20 30 EFEDHM Cn1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(-c2ccccc2)n1 ZINC001600952612 1095445115 /nfs/dbraw/zinc/44/51/15/1095445115.db2.gz JRPWEIPEMBFLSG-IBGZPJMESA-N -1 3 346.390 2.874 20 30 EFEDHM Cn1ncc2c1CC(C)(C)CN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001601030428 1095474290 /nfs/dbraw/zinc/47/42/90/1095474290.db2.gz IRTBHPMUDYESLD-KRWDZBQOSA-N -1 3 338.411 2.502 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001601047609 1095477680 /nfs/dbraw/zinc/47/76/80/1095477680.db2.gz VRCRPQCNPBBZKG-TUAOUCFPSA-N -1 3 348.786 2.878 20 30 EFEDHM N#CC(C(=O)c1ccc(C(=O)[O-])c(F)c1)c1cnc2ccccc2n1 ZINC001601046854 1095478131 /nfs/dbraw/zinc/47/81/31/1095478131.db2.gz DVGDTNRVTXFFGP-LBPRGKRZSA-N -1 3 335.294 2.957 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001601047608 1095478619 /nfs/dbraw/zinc/47/86/19/1095478619.db2.gz VRCRPQCNPBBZKG-QJPTWQEYSA-N -1 3 348.786 2.878 20 30 EFEDHM N#Cc1c(CN2CCCN3c4ccccc4C[C@H]3C2)cccc1C(=O)[O-] ZINC001601081689 1095496515 /nfs/dbraw/zinc/49/65/15/1095496515.db2.gz KHFWYVNAASHLPD-KRWDZBQOSA-N -1 3 347.418 2.893 20 30 EFEDHM CC(C)(C)[C@H](CNc1ccc(C#N)cn1)NC(=O)c1ccccc1[O-] ZINC001125810930 1095499615 /nfs/dbraw/zinc/49/96/15/1095499615.db2.gz HXNOTIOEXADTKP-INIZCTEOSA-N -1 3 338.411 2.915 20 30 EFEDHM N#Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)ccn1 ZINC001601087317 1095501131 /nfs/dbraw/zinc/50/11/31/1095501131.db2.gz BMMUDCVZOAAVEZ-CQSZACIVSA-N -1 3 346.184 2.631 20 30 EFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC001601094176 1095504812 /nfs/dbraw/zinc/50/48/12/1095504812.db2.gz HUTWUZUAILNEFL-ZACQAIPSSA-N -1 3 326.396 2.717 20 30 EFEDHM N#Cc1ccc([C@@H](NCc2ccc(NC(=O)C3CC3)cc2)C(=O)[O-])cc1 ZINC001601097134 1095507849 /nfs/dbraw/zinc/50/78/49/1095507849.db2.gz YFXYFUVHZYYJAE-GOSISDBHSA-N -1 3 349.390 2.822 20 30 EFEDHM O=C([O-])C1([C@@]2(O)CCCN(CC#Cc3cccc(Cl)c3)C2)CCC1 ZINC001601705984 1095853360 /nfs/dbraw/zinc/85/33/60/1095853360.db2.gz WPMLBMIYFFHZBU-LJQANCHMSA-N -1 3 347.842 2.773 20 30 EFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC001602687890 1096349509 /nfs/dbraw/zinc/34/95/09/1096349509.db2.gz FPPISDZLFBLLHM-HNNXBMFYSA-N -1 3 332.367 2.671 20 30 EFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC001602687890 1096349515 /nfs/dbraw/zinc/34/95/15/1096349515.db2.gz FPPISDZLFBLLHM-HNNXBMFYSA-N -1 3 332.367 2.671 20 30 EFEDHM C#CC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001602694075 1096351328 /nfs/dbraw/zinc/35/13/28/1096351328.db2.gz GNFTXWMSBRHBBW-KRWDZBQOSA-N -1 3 325.364 2.537 20 30 EFEDHM C#C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC001602697134 1096353669 /nfs/dbraw/zinc/35/36/69/1096353669.db2.gz SGMOSOMBPMIKBU-JTQLQIEISA-N -1 3 340.337 2.543 20 30 EFEDHM C#C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC001602697134 1096353674 /nfs/dbraw/zinc/35/36/74/1096353674.db2.gz SGMOSOMBPMIKBU-JTQLQIEISA-N -1 3 340.337 2.543 20 30 EFEDHM C#CC[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001602697796 1096353961 /nfs/dbraw/zinc/35/39/61/1096353961.db2.gz SHJKBQNUCVDONX-WFASDCNBSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CC[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001602697796 1096353969 /nfs/dbraw/zinc/35/39/69/1096353969.db2.gz SHJKBQNUCVDONX-WFASDCNBSA-N -1 3 342.399 2.615 20 30 EFEDHM C#C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001602696722 1096354071 /nfs/dbraw/zinc/35/40/71/1096354071.db2.gz MTQDEUADBCGUKI-GFCCVEGCSA-N -1 3 336.399 2.621 20 30 EFEDHM C#C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001602696722 1096354079 /nfs/dbraw/zinc/35/40/79/1096354079.db2.gz MTQDEUADBCGUKI-GFCCVEGCSA-N -1 3 336.399 2.621 20 30 EFEDHM C#CCCC[C@H](C)OC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602705905 1096355626 /nfs/dbraw/zinc/35/56/26/1096355626.db2.gz HHTXVHUCHLXKSE-KBPBESRZSA-N -1 3 326.400 2.781 20 30 EFEDHM C#CCCC[C@H](C)OC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602705905 1096355634 /nfs/dbraw/zinc/35/56/34/1096355634.db2.gz HHTXVHUCHLXKSE-KBPBESRZSA-N -1 3 326.400 2.781 20 30 EFEDHM C#CCCC[C@H](C)OC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602705906 1096355737 /nfs/dbraw/zinc/35/57/37/1096355737.db2.gz HHTXVHUCHLXKSE-KGLIPLIRSA-N -1 3 326.400 2.781 20 30 EFEDHM C#CCCC[C@H](C)OC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602705906 1096355740 /nfs/dbraw/zinc/35/57/40/1096355740.db2.gz HHTXVHUCHLXKSE-KGLIPLIRSA-N -1 3 326.400 2.781 20 30 EFEDHM C#CCCOc1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001602714657 1096356101 /nfs/dbraw/zinc/35/61/01/1096356101.db2.gz XXUSDNKUOWSUBL-UHFFFAOYSA-N -1 3 347.378 2.545 20 30 EFEDHM C#CCCOc1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001602714657 1096356108 /nfs/dbraw/zinc/35/61/08/1096356108.db2.gz XXUSDNKUOWSUBL-UHFFFAOYSA-N -1 3 347.378 2.545 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602718252 1096357453 /nfs/dbraw/zinc/35/74/53/1096357453.db2.gz PUCBZQFXDJBOQL-OUKQBFOZSA-N -1 3 343.390 2.542 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602718252 1096357459 /nfs/dbraw/zinc/35/74/59/1096357459.db2.gz PUCBZQFXDJBOQL-OUKQBFOZSA-N -1 3 343.390 2.542 20 30 EFEDHM C#C[C@H]1CC[C@H]([NH2+][C@@H](CC)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001602735510 1096357823 /nfs/dbraw/zinc/35/78/23/1096357823.db2.gz HYFUAMXPZPEWHQ-XEZPLFJOSA-N -1 3 325.416 2.805 20 30 EFEDHM C#CCOc1cccc(Oc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001602732394 1096358045 /nfs/dbraw/zinc/35/80/45/1096358045.db2.gz ZVYOSRMGBCIZPK-UHFFFAOYSA-N -1 3 337.295 2.579 20 30 EFEDHM C#CCOc1cccc(Oc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001602732394 1096358051 /nfs/dbraw/zinc/35/80/51/1096358051.db2.gz ZVYOSRMGBCIZPK-UHFFFAOYSA-N -1 3 337.295 2.579 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NCC)cc1 ZINC001602739979 1096359736 /nfs/dbraw/zinc/35/97/36/1096359736.db2.gz ROUQSLAZYXVQGE-UHFFFAOYSA-N -1 3 332.367 2.532 20 30 EFEDHM C=C(C)[C@@H](C)OC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC001602752323 1096363535 /nfs/dbraw/zinc/36/35/35/1096363535.db2.gz AYKXJSPMDMTCPV-GFCCVEGCSA-N -1 3 346.387 2.542 20 30 EFEDHM C=C(C)[C@@H](C)OC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC001602752323 1096363541 /nfs/dbraw/zinc/36/35/41/1096363541.db2.gz AYKXJSPMDMTCPV-GFCCVEGCSA-N -1 3 346.387 2.542 20 30 EFEDHM C=C(C)[C@H](C)OC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC001602752324 1096364133 /nfs/dbraw/zinc/36/41/33/1096364133.db2.gz AYKXJSPMDMTCPV-LBPRGKRZSA-N -1 3 346.387 2.542 20 30 EFEDHM C=C(C)[C@H](C)OC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC001602752324 1096364138 /nfs/dbraw/zinc/36/41/38/1096364138.db2.gz AYKXJSPMDMTCPV-LBPRGKRZSA-N -1 3 346.387 2.542 20 30 EFEDHM C=C(C)CCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nnn[n-]1 ZINC001602759966 1096365075 /nfs/dbraw/zinc/36/50/75/1096365075.db2.gz URPBFBPTWZMTJI-UHFFFAOYSA-N -1 3 349.416 2.708 20 30 EFEDHM C=C(C)CCC(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC001602759966 1096365088 /nfs/dbraw/zinc/36/50/88/1096365088.db2.gz URPBFBPTWZMTJI-UHFFFAOYSA-N -1 3 349.416 2.708 20 30 EFEDHM C=C(C)CCC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001602759584 1096365219 /nfs/dbraw/zinc/36/52/19/1096365219.db2.gz LEGAYPVUWDXUKK-ZDUSSCGKSA-N -1 3 339.321 2.943 20 30 EFEDHM C=C(C)CCC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001602759584 1096365227 /nfs/dbraw/zinc/36/52/27/1096365227.db2.gz LEGAYPVUWDXUKK-ZDUSSCGKSA-N -1 3 339.321 2.943 20 30 EFEDHM C=C(C)CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602762783 1096366476 /nfs/dbraw/zinc/36/64/76/1096366476.db2.gz IIBTWGHQOCOWCL-UHFFFAOYSA-N -1 3 334.383 2.916 20 30 EFEDHM C=C[C@H](CC)CC(=O)NCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001602800055 1096372090 /nfs/dbraw/zinc/37/20/90/1096372090.db2.gz IXSMNQFADSGJPX-GFCCVEGCSA-N -1 3 346.410 2.526 20 30 EFEDHM C=C[C@H](CC)CC(=O)NCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001602800055 1096372097 /nfs/dbraw/zinc/37/20/97/1096372097.db2.gz IXSMNQFADSGJPX-GFCCVEGCSA-N -1 3 346.410 2.526 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCOCC1 ZINC001602818069 1096374696 /nfs/dbraw/zinc/37/46/96/1096374696.db2.gz AIMKFPMAYSGHBU-UHFFFAOYSA-N -1 3 347.806 2.832 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCOCC1 ZINC001602818069 1096374705 /nfs/dbraw/zinc/37/47/05/1096374705.db2.gz AIMKFPMAYSGHBU-UHFFFAOYSA-N -1 3 347.806 2.832 20 30 EFEDHM C=CCC(C)(C)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001602808647 1096375417 /nfs/dbraw/zinc/37/54/17/1096375417.db2.gz HOIXREMCPCGVGA-UHFFFAOYSA-N -1 3 330.388 2.781 20 30 EFEDHM C=CCC(C)(C)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001602808647 1096375423 /nfs/dbraw/zinc/37/54/23/1096375423.db2.gz HOIXREMCPCGVGA-UHFFFAOYSA-N -1 3 330.388 2.781 20 30 EFEDHM C=CCC1(NC(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)CCCCC1 ZINC001602818197 1096376435 /nfs/dbraw/zinc/37/64/35/1096376435.db2.gz GZUVIDUKAGYPNW-UHFFFAOYSA-N -1 3 341.415 2.884 20 30 EFEDHM C=CCC1(NC(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)CCCCC1 ZINC001602818197 1096376444 /nfs/dbraw/zinc/37/64/44/1096376444.db2.gz GZUVIDUKAGYPNW-UHFFFAOYSA-N -1 3 341.415 2.884 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602825273 1096377067 /nfs/dbraw/zinc/37/70/67/1096377067.db2.gz WUDSQHUVURCJNA-OCCSQVGLSA-N -1 3 341.419 2.827 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602825273 1096377073 /nfs/dbraw/zinc/37/70/73/1096377073.db2.gz WUDSQHUVURCJNA-OCCSQVGLSA-N -1 3 341.419 2.827 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)C1 ZINC001602824428 1096377362 /nfs/dbraw/zinc/37/73/62/1096377362.db2.gz QBEYCHVSYMKYFG-OAHLLOKOSA-N -1 3 339.443 2.841 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)C1 ZINC001602824428 1096377368 /nfs/dbraw/zinc/37/73/68/1096377368.db2.gz QBEYCHVSYMKYFG-OAHLLOKOSA-N -1 3 339.443 2.841 20 30 EFEDHM C=CCCC(C)(C)NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602833399 1096379331 /nfs/dbraw/zinc/37/93/31/1096379331.db2.gz LKQIWTXDLAEEBY-ZDUSSCGKSA-N -1 3 327.432 2.906 20 30 EFEDHM C=CCCC(C)(C)NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602833399 1096379341 /nfs/dbraw/zinc/37/93/41/1096379341.db2.gz LKQIWTXDLAEEBY-ZDUSSCGKSA-N -1 3 327.432 2.906 20 30 EFEDHM C=CCCN(C)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001602839780 1096380774 /nfs/dbraw/zinc/38/07/74/1096380774.db2.gz HERNOHJLBNUUFT-UHFFFAOYSA-N -1 3 326.187 2.822 20 30 EFEDHM C=CCCN(C)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001602839780 1096380779 /nfs/dbraw/zinc/38/07/79/1096380779.db2.gz HERNOHJLBNUUFT-UHFFFAOYSA-N -1 3 326.187 2.822 20 30 EFEDHM C=CCCN(C)c1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001602841226 1096381142 /nfs/dbraw/zinc/38/11/42/1096381142.db2.gz QRKNWHPESVHDJQ-UHFFFAOYSA-N -1 3 337.431 2.805 20 30 EFEDHM C=CCCN(C)c1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001602841226 1096381153 /nfs/dbraw/zinc/38/11/53/1096381153.db2.gz QRKNWHPESVHDJQ-UHFFFAOYSA-N -1 3 337.431 2.805 20 30 EFEDHM C=CCCCCCCNc1nc2c(cc1-c1nnn[n-]1)COCC2 ZINC001602837880 1096381379 /nfs/dbraw/zinc/38/13/79/1096381379.db2.gz IUNKMZQRMIMBGO-UHFFFAOYSA-N -1 3 328.420 2.883 20 30 EFEDHM C=CCCCCCCNc1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001602837880 1096381387 /nfs/dbraw/zinc/38/13/87/1096381387.db2.gz IUNKMZQRMIMBGO-UHFFFAOYSA-N -1 3 328.420 2.883 20 30 EFEDHM C=CCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001602837976 1096381939 /nfs/dbraw/zinc/38/19/39/1096381939.db2.gz KSMMRZSNZCOHIG-JKSUJKDBSA-N -1 3 325.416 2.833 20 30 EFEDHM C=CCCCCCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001602837976 1096381945 /nfs/dbraw/zinc/38/19/45/1096381945.db2.gz KSMMRZSNZCOHIG-JKSUJKDBSA-N -1 3 325.416 2.833 20 30 EFEDHM C=CCCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001602837978 1096382030 /nfs/dbraw/zinc/38/20/30/1096382030.db2.gz KTWWPABGWSAGFV-UHFFFAOYSA-N -1 3 349.460 2.590 20 30 EFEDHM C=CCCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001602837978 1096382037 /nfs/dbraw/zinc/38/20/37/1096382037.db2.gz KTWWPABGWSAGFV-UHFFFAOYSA-N -1 3 349.460 2.590 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602852529 1096385923 /nfs/dbraw/zinc/38/59/23/1096385923.db2.gz VNKJHFYZQBKXIS-UHFFFAOYSA-N -1 3 333.395 2.738 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602852529 1096385931 /nfs/dbraw/zinc/38/59/31/1096385931.db2.gz VNKJHFYZQBKXIS-UHFFFAOYSA-N -1 3 333.395 2.738 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)c1nnc(C)s1 ZINC001602858686 1096387018 /nfs/dbraw/zinc/38/70/18/1096387018.db2.gz XIJKQSOWXFRZPV-LLVKDONJSA-N -1 3 341.444 2.776 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1nnc(C)s1 ZINC001602858686 1096387027 /nfs/dbraw/zinc/38/70/27/1096387027.db2.gz XIJKQSOWXFRZPV-LLVKDONJSA-N -1 3 341.444 2.776 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C)cn1 ZINC001602856902 1096388223 /nfs/dbraw/zinc/38/82/23/1096388223.db2.gz TZEVYXMWBBEQBA-UHFFFAOYSA-N -1 3 349.398 2.790 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C)cn1 ZINC001602856902 1096388230 /nfs/dbraw/zinc/38/82/30/1096388230.db2.gz TZEVYXMWBBEQBA-UHFFFAOYSA-N -1 3 349.398 2.790 20 30 EFEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC001602908123 1096397445 /nfs/dbraw/zinc/39/74/45/1096397445.db2.gz LTMNFXLQVHNQHU-UHFFFAOYSA-N -1 3 336.403 2.790 20 30 EFEDHM CC(N=Nc1ccc(C(C)(C)C)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC001602908123 1096397451 /nfs/dbraw/zinc/39/74/51/1096397451.db2.gz LTMNFXLQVHNQHU-UHFFFAOYSA-N -1 3 336.403 2.790 20 30 EFEDHM CC(C)(C)c1cnc(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001603121115 1096451168 /nfs/dbraw/zinc/45/11/68/1096451168.db2.gz QNZWTPBJSNGLFB-UHFFFAOYSA-N -1 3 341.444 2.744 20 30 EFEDHM CC(C)(C)c1cnc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001603121115 1096451174 /nfs/dbraw/zinc/45/11/74/1096451174.db2.gz QNZWTPBJSNGLFB-UHFFFAOYSA-N -1 3 341.444 2.744 20 30 EFEDHM CC(C)CN(Cc1ccncc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001603293467 1096497714 /nfs/dbraw/zinc/49/77/14/1096497714.db2.gz FYSDZQPWUMPXIR-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)CN(Cc1ccncc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001603293467 1096497717 /nfs/dbraw/zinc/49/77/17/1096497717.db2.gz FYSDZQPWUMPXIR-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM C[C@H](CC#N)C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001603443258 1096527922 /nfs/dbraw/zinc/52/79/22/1096527922.db2.gz RLIRKPZKJIDBEG-GFCCVEGCSA-N -1 3 333.351 2.989 20 30 EFEDHM C[C@H](CC#N)C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001603443258 1096527929 /nfs/dbraw/zinc/52/79/29/1096527929.db2.gz RLIRKPZKJIDBEG-GFCCVEGCSA-N -1 3 333.351 2.989 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCC(C)(C)C#N ZINC001603579446 1096558824 /nfs/dbraw/zinc/55/88/24/1096558824.db2.gz VAICLVOZDBRKMQ-GFCCVEGCSA-N -1 3 327.388 2.528 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCC(C)(C)C#N ZINC001603579446 1096558834 /nfs/dbraw/zinc/55/88/34/1096558834.db2.gz VAICLVOZDBRKMQ-GFCCVEGCSA-N -1 3 327.388 2.528 20 30 EFEDHM C[C@@H]([NH2+][C@@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1cccc(C#N)c1[O-] ZINC001603655912 1096580413 /nfs/dbraw/zinc/58/04/13/1096580413.db2.gz GCQSMCHGXFPEFW-PIGZYNQJSA-N -1 3 346.394 2.782 20 30 EFEDHM C[C@@H]([NH2+][C@@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1cccc(C#N)c1[O-] ZINC001603655912 1096580419 /nfs/dbraw/zinc/58/04/19/1096580419.db2.gz GCQSMCHGXFPEFW-PIGZYNQJSA-N -1 3 346.394 2.782 20 30 EFEDHM C[C@@H](OC(=O)c1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001603702081 1096594029 /nfs/dbraw/zinc/59/40/29/1096594029.db2.gz OYITTYWPAMKICO-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001603702081 1096594035 /nfs/dbraw/zinc/59/40/35/1096594035.db2.gz OYITTYWPAMKICO-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@H](ON=C(N)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001603709936 1096597389 /nfs/dbraw/zinc/59/73/89/1096597389.db2.gz ICGVILSLAQGDKU-JTQLQIEISA-N -1 3 342.790 2.918 20 30 EFEDHM C[C@H](ON=C(N)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001603709936 1096597390 /nfs/dbraw/zinc/59/73/90/1096597390.db2.gz ICGVILSLAQGDKU-JTQLQIEISA-N -1 3 342.790 2.918 20 30 EFEDHM C[C@@H](ON=C(N)c1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001603709940 1096597456 /nfs/dbraw/zinc/59/74/56/1096597456.db2.gz ICGVILSLAQGDKU-SNVBAGLBSA-N -1 3 342.790 2.918 20 30 EFEDHM C[C@@H](ON=C(N)c1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001603709940 1096597460 /nfs/dbraw/zinc/59/74/60/1096597460.db2.gz ICGVILSLAQGDKU-SNVBAGLBSA-N -1 3 342.790 2.918 20 30 EFEDHM C[C@]1(C#N)CCN(Cc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC001603737587 1096610049 /nfs/dbraw/zinc/61/00/49/1096610049.db2.gz URQMNESCDPZRNL-CQSZACIVSA-N -1 3 336.321 2.621 20 30 EFEDHM C[C@]1(C#N)CCN(Cc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001603737587 1096610056 /nfs/dbraw/zinc/61/00/56/1096610056.db2.gz URQMNESCDPZRNL-CQSZACIVSA-N -1 3 336.321 2.621 20 30 EFEDHM C[C@H]1CCCC[C@@H]1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001603892955 1096662161 /nfs/dbraw/zinc/66/21/61/1096662161.db2.gz UAUJDJHYXJXRGU-VHSXEESVSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@H]1CCCC[C@@H]1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001603892955 1096662165 /nfs/dbraw/zinc/66/21/65/1096662165.db2.gz UAUJDJHYXJXRGU-VHSXEESVSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@H]1CCCC[C@H]1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001603892954 1096662734 /nfs/dbraw/zinc/66/27/34/1096662734.db2.gz UAUJDJHYXJXRGU-UWVGGRQHSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@H]1CCCC[C@H]1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001603892954 1096662738 /nfs/dbraw/zinc/66/27/38/1096662738.db2.gz UAUJDJHYXJXRGU-UWVGGRQHSA-N -1 3 329.433 2.634 20 30 EFEDHM CCC(N=Nc1nccnc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC001603966205 1096684549 /nfs/dbraw/zinc/68/45/49/1096684549.db2.gz WOADBGYMZHTBKX-UHFFFAOYSA-N -1 3 328.767 2.536 20 30 EFEDHM CCC(N=Nc1nccnc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC001603966205 1096684551 /nfs/dbraw/zinc/68/45/51/1096684551.db2.gz WOADBGYMZHTBKX-UHFFFAOYSA-N -1 3 328.767 2.536 20 30 EFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001603977646 1096685557 /nfs/dbraw/zinc/68/55/57/1096685557.db2.gz FQWRGPICGBEJFJ-NSHDSACASA-N -1 3 349.354 2.542 20 30 EFEDHM CC[C@@H](C#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001603977646 1096685560 /nfs/dbraw/zinc/68/55/60/1096685560.db2.gz FQWRGPICGBEJFJ-NSHDSACASA-N -1 3 349.354 2.542 20 30 EFEDHM CCCCCCO[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001604177303 1096762668 /nfs/dbraw/zinc/76/26/68/1096762668.db2.gz SCRJZUXUHLQELQ-LBPRGKRZSA-N -1 3 342.403 2.662 20 30 EFEDHM CCCCCCO[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001604177303 1096762674 /nfs/dbraw/zinc/76/26/74/1096762674.db2.gz SCRJZUXUHLQELQ-LBPRGKRZSA-N -1 3 342.403 2.662 20 30 EFEDHM CCCCO[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cn2)C1(C)C ZINC001604187755 1096766635 /nfs/dbraw/zinc/76/66/35/1096766635.db2.gz RPGRJRQGVKTSGT-CYBMUJFWSA-N -1 3 329.408 2.645 20 30 EFEDHM CCCCO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cn2)C1(C)C ZINC001604187755 1096766641 /nfs/dbraw/zinc/76/66/41/1096766641.db2.gz RPGRJRQGVKTSGT-CYBMUJFWSA-N -1 3 329.408 2.645 20 30 EFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 ZINC001604318432 1096804353 /nfs/dbraw/zinc/80/43/53/1096804353.db2.gz JYYJDVYXHGSBDL-FZKQIMNGSA-N -1 3 347.378 2.615 20 30 EFEDHM CCS[C@@H]1CCCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001604479323 1096875624 /nfs/dbraw/zinc/87/56/24/1096875624.db2.gz WFGYGOVIJQMKLM-CYBMUJFWSA-N -1 3 328.445 2.850 20 30 EFEDHM CCS[C@@H]1CCCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001604479323 1096875629 /nfs/dbraw/zinc/87/56/29/1096875629.db2.gz WFGYGOVIJQMKLM-CYBMUJFWSA-N -1 3 328.445 2.850 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001604649845 1096923393 /nfs/dbraw/zinc/92/33/93/1096923393.db2.gz ZHELUIVVMLVUPS-DLBZAZTESA-N -1 3 344.378 2.505 20 30 EFEDHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001604649845 1096923395 /nfs/dbraw/zinc/92/33/95/1096923395.db2.gz ZHELUIVVMLVUPS-DLBZAZTESA-N -1 3 344.378 2.505 20 30 EFEDHM CN(C)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001604700224 1096934344 /nfs/dbraw/zinc/93/43/44/1096934344.db2.gz DOIVRHURPSAAEQ-ZROIWOOFSA-N -1 3 346.394 2.540 20 30 EFEDHM CN(C)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001604700224 1096934351 /nfs/dbraw/zinc/93/43/51/1096934351.db2.gz DOIVRHURPSAAEQ-ZROIWOOFSA-N -1 3 346.394 2.540 20 30 EFEDHM CN(c1c(C#N)cccc1-c1nnn[n-]1)[C@@H]1CCc2ccccc2C1 ZINC001604828751 1096966974 /nfs/dbraw/zinc/96/69/74/1096966974.db2.gz VRFZTEVEDCFBBQ-MRXNPFEDSA-N -1 3 330.395 2.732 20 30 EFEDHM CN(c1c(C#N)cccc1-c1nn[n-]n1)[C@@H]1CCc2ccccc2C1 ZINC001604828751 1096966979 /nfs/dbraw/zinc/96/69/79/1096966979.db2.gz VRFZTEVEDCFBBQ-MRXNPFEDSA-N -1 3 330.395 2.732 20 30 EFEDHM COC(=O)c1csc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC001604990680 1096994825 /nfs/dbraw/zinc/99/48/25/1096994825.db2.gz YFDROXVMLIBJEH-UHFFFAOYSA-N -1 3 342.384 2.551 20 30 EFEDHM COC(=O)c1csc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC001604990680 1096994830 /nfs/dbraw/zinc/99/48/30/1096994830.db2.gz YFDROXVMLIBJEH-UHFFFAOYSA-N -1 3 342.384 2.551 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1C#N ZINC001605206189 1097051029 /nfs/dbraw/zinc/05/10/29/1097051029.db2.gz SJDNTWMMBBNZCB-XVNBXDOJSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1C#N ZINC001605206189 1097051036 /nfs/dbraw/zinc/05/10/36/1097051036.db2.gz SJDNTWMMBBNZCB-XVNBXDOJSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C)cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C ZINC001605203598 1097051542 /nfs/dbraw/zinc/05/15/42/1097051542.db2.gz VYYGRTVEDOWUCV-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(C)cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1C ZINC001605203598 1097051544 /nfs/dbraw/zinc/05/15/44/1097051544.db2.gz VYYGRTVEDOWUCV-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(C=C2CCc3ccc(O)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001605205009 1097051578 /nfs/dbraw/zinc/05/15/78/1097051578.db2.gz FWIWJFZOOGFLBN-JYRVWZFOSA-N -1 3 348.362 2.793 20 30 EFEDHM COc1cc(C=C2CCc3ccc(O)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001605205009 1097051579 /nfs/dbraw/zinc/05/15/79/1097051579.db2.gz FWIWJFZOOGFLBN-JYRVWZFOSA-N -1 3 348.362 2.793 20 30 EFEDHM COc1cc(OCc2ccc(-c3nnn[n-]3)cc2Cl)ccc1C#N ZINC001605237236 1097063659 /nfs/dbraw/zinc/06/36/59/1097063659.db2.gz ZDTAOJOFVDFPNA-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(OCc2ccc(-c3nn[n-]n3)cc2Cl)ccc1C#N ZINC001605237236 1097063664 /nfs/dbraw/zinc/06/36/64/1097063664.db2.gz ZDTAOJOFVDFPNA-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC001605269993 1097075583 /nfs/dbraw/zinc/07/55/83/1097075583.db2.gz LMAWPNPSNKLCRV-CLFYSBASSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC001605269993 1097075588 /nfs/dbraw/zinc/07/55/88/1097075588.db2.gz LMAWPNPSNKLCRV-CLFYSBASSA-N -1 3 336.351 2.780 20 30 EFEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)N[C@H](C#N)C(C)C ZINC001605479555 1097134801 /nfs/dbraw/zinc/13/48/01/1097134801.db2.gz DGJOBFPVDMULBX-GFCCVEGCSA-N -1 3 340.412 2.668 20 30 EFEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)N[C@H](C#N)C(C)C ZINC001605479555 1097134802 /nfs/dbraw/zinc/13/48/02/1097134802.db2.gz DGJOBFPVDMULBX-GFCCVEGCSA-N -1 3 340.412 2.668 20 30 EFEDHM Cc1c(Cl)cnc(NCCc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC001605492421 1097137199 /nfs/dbraw/zinc/13/71/99/1097137199.db2.gz XGWQLNCESMCUGO-UHFFFAOYSA-N -1 3 339.790 2.750 20 30 EFEDHM Cc1c(Cl)cnc(NCCc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC001605492421 1097137205 /nfs/dbraw/zinc/13/72/05/1097137205.db2.gz XGWQLNCESMCUGO-UHFFFAOYSA-N -1 3 339.790 2.750 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(N2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001605529426 1097147864 /nfs/dbraw/zinc/14/78/64/1097147864.db2.gz NPMKHUAKXCGWKD-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(N2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001605529426 1097147869 /nfs/dbraw/zinc/14/78/69/1097147869.db2.gz NPMKHUAKXCGWKD-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC001605539974 1097153170 /nfs/dbraw/zinc/15/31/70/1097153170.db2.gz HRJZOUYMHGKTER-BETUJISGSA-N -1 3 325.372 2.662 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC001605539974 1097153172 /nfs/dbraw/zinc/15/31/72/1097153172.db2.gz HRJZOUYMHGKTER-BETUJISGSA-N -1 3 325.372 2.662 20 30 EFEDHM Cc1cc(C(=O)Oc2ccc(C#N)cc2F)cc(C)c1-c1nnn[n-]1 ZINC001605630067 1097173137 /nfs/dbraw/zinc/17/31/37/1097173137.db2.gz KHSOHPUYYOBFNW-UHFFFAOYSA-N -1 3 337.314 2.714 20 30 EFEDHM Cc1cc(C(=O)Oc2ccc(C#N)cc2F)cc(C)c1-c1nn[n-]n1 ZINC001605630067 1097173139 /nfs/dbraw/zinc/17/31/39/1097173139.db2.gz KHSOHPUYYOBFNW-UHFFFAOYSA-N -1 3 337.314 2.714 20 30 EFEDHM Cc1cc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc(C)c1O ZINC001605652316 1097181068 /nfs/dbraw/zinc/18/10/68/1097181068.db2.gz IITUPIIQMVPKRI-AUWJEWJLSA-N -1 3 347.378 2.797 20 30 EFEDHM Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc(C)c1O ZINC001605652316 1097181070 /nfs/dbraw/zinc/18/10/70/1097181070.db2.gz IITUPIIQMVPKRI-AUWJEWJLSA-N -1 3 347.378 2.797 20 30 EFEDHM Cc1cc(C=C2Cc3ccc(C#N)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001605652649 1097181096 /nfs/dbraw/zinc/18/10/96/1097181096.db2.gz PFRXAMLZZGBEOT-VIZOYTHASA-N -1 3 327.347 2.869 20 30 EFEDHM Cc1cc(C=C2Cc3ccc(C#N)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001605652649 1097181098 /nfs/dbraw/zinc/18/10/98/1097181098.db2.gz PFRXAMLZZGBEOT-VIZOYTHASA-N -1 3 327.347 2.869 20 30 EFEDHM Cc1cc(N2CCC[C@H]2[C@H](C#N)c2ccccc2)ncc1-c1nnn[n-]1 ZINC001605693604 1097197152 /nfs/dbraw/zinc/19/71/52/1097197152.db2.gz AFVDVFXIRUGOLI-WBVHZDCISA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(N2CCC[C@H]2[C@H](C#N)c2ccccc2)ncc1-c1nn[n-]n1 ZINC001605693604 1097197154 /nfs/dbraw/zinc/19/71/54/1097197154.db2.gz AFVDVFXIRUGOLI-WBVHZDCISA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ncc1-c1nnn[n-]1 ZINC001605693601 1097197230 /nfs/dbraw/zinc/19/72/30/1097197230.db2.gz AFVDVFXIRUGOLI-DOTOQJQBSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ncc1-c1nn[n-]n1 ZINC001605693601 1097197235 /nfs/dbraw/zinc/19/72/35/1097197235.db2.gz AFVDVFXIRUGOLI-DOTOQJQBSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1cc(NC(=O)[C@H](C#N)CCc2ccccc2)cc(-c2nnn[n-]2)c1 ZINC001605703471 1097199558 /nfs/dbraw/zinc/19/95/58/1097199558.db2.gz GYJARJSOUAOEFZ-HNNXBMFYSA-N -1 3 346.394 2.886 20 30 EFEDHM Cc1cc(NC(=O)[C@H](C#N)CCc2ccccc2)cc(-c2nn[n-]n2)c1 ZINC001605703471 1097199560 /nfs/dbraw/zinc/19/95/60/1097199560.db2.gz GYJARJSOUAOEFZ-HNNXBMFYSA-N -1 3 346.394 2.886 20 30 EFEDHM Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)c(C#N)cc1[N+](=O)[O-] ZINC001605740771 1097211328 /nfs/dbraw/zinc/21/13/28/1097211328.db2.gz WGTGDYOZVHRTAK-UHFFFAOYSA-N -1 3 341.356 2.629 20 30 EFEDHM Cc1cc(NCc2ccc(C#N)s2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605739192 1097211920 /nfs/dbraw/zinc/21/19/20/1097211920.db2.gz AYKMSCYJVMZHRK-UHFFFAOYSA-N -1 3 341.356 2.629 20 30 EFEDHM Cc1cc(NCc2ccc(C#N)s2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605739192 1097211923 /nfs/dbraw/zinc/21/19/23/1097211923.db2.gz AYKMSCYJVMZHRK-UHFFFAOYSA-N -1 3 341.356 2.629 20 30 EFEDHM Cc1cc(OC(=O)C=Cc2ccccc2C#N)ccc1-c1nnn[n-]1 ZINC001605745377 1097214354 /nfs/dbraw/zinc/21/43/54/1097214354.db2.gz XCQVWFPEKQZTLC-TWGQIWQCSA-N -1 3 331.335 2.666 20 30 EFEDHM Cc1cc(OC(=O)C=Cc2ccccc2C#N)ccc1-c1nn[n-]n1 ZINC001605745377 1097214358 /nfs/dbraw/zinc/21/43/58/1097214358.db2.gz XCQVWFPEKQZTLC-TWGQIWQCSA-N -1 3 331.335 2.666 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001605794467 1097228208 /nfs/dbraw/zinc/22/82/08/1097228208.db2.gz DRHNFXCHMGADBG-HNNXBMFYSA-N -1 3 332.367 2.811 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001605794467 1097228211 /nfs/dbraw/zinc/22/82/11/1097228211.db2.gz DRHNFXCHMGADBG-HNNXBMFYSA-N -1 3 332.367 2.811 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001605798925 1097230740 /nfs/dbraw/zinc/23/07/40/1097230740.db2.gz HIAVGOMDBGCFHV-UHFFFAOYSA-N -1 3 349.354 2.722 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccc(OCC#N)cc1 ZINC001605798925 1097230743 /nfs/dbraw/zinc/23/07/43/1097230743.db2.gz HIAVGOMDBGCFHV-UHFFFAOYSA-N -1 3 349.354 2.722 20 30 EFEDHM Cc1ccc(-c2noc([C@H](C#N)Cc3ccc(-c4nnn[n-]4)cc3)n2)o1 ZINC001605805444 1097232842 /nfs/dbraw/zinc/23/28/42/1097232842.db2.gz UDUVJTSUYMQBJD-ZDUSSCGKSA-N -1 3 347.338 2.668 20 30 EFEDHM Cc1ccc(-c2noc([C@H](C#N)Cc3ccc(-c4nn[n-]n4)cc3)n2)o1 ZINC001605805444 1097232846 /nfs/dbraw/zinc/23/28/46/1097232846.db2.gz UDUVJTSUYMQBJD-ZDUSSCGKSA-N -1 3 347.338 2.668 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)cc1C#N ZINC001605824452 1097239300 /nfs/dbraw/zinc/23/93/00/1097239300.db2.gz ZNYOTZRRCGCHMW-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)cc1C#N ZINC001605824452 1097239304 /nfs/dbraw/zinc/23/93/04/1097239304.db2.gz ZNYOTZRRCGCHMW-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C2CCN(c3c(C#N)cccc3-c3nnn[n-]3)CC2)cn1 ZINC001605835928 1097244505 /nfs/dbraw/zinc/24/45/05/1097244505.db2.gz UBIVWIBGUJMFOP-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1ccc(C2CCN(c3c(C#N)cccc3-c3nn[n-]n3)CC2)cn1 ZINC001605835928 1097244507 /nfs/dbraw/zinc/24/45/07/1097244507.db2.gz UBIVWIBGUJMFOP-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1ccc([N+](=O)[O-])cc1NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001605884645 1097265149 /nfs/dbraw/zinc/26/51/49/1097265149.db2.gz SRZPICHBYZFBSS-UHFFFAOYSA-N -1 3 349.354 2.846 20 30 EFEDHM Cc1ccc([N+](=O)[O-])cc1NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001605884645 1097265153 /nfs/dbraw/zinc/26/51/53/1097265153.db2.gz SRZPICHBYZFBSS-UHFFFAOYSA-N -1 3 349.354 2.846 20 30 EFEDHM CN(C(=O)CN[C@@]1(C(=O)[O-])CCCC(C)(C)C1)C1(C#N)CCCCC1 ZINC001605962237 1097287545 /nfs/dbraw/zinc/28/75/45/1097287545.db2.gz KNXTWWZZTGLDKB-IBGZPJMESA-N -1 3 349.475 2.684 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1c(Cl)oc2ccccc21 ZINC001606023808 1097300964 /nfs/dbraw/zinc/30/09/64/1097300964.db2.gz ITYLGMFQJBJSPX-UHFFFAOYSA-N -1 3 339.746 2.691 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1c(Cl)oc2ccccc21 ZINC001606023808 1097300969 /nfs/dbraw/zinc/30/09/69/1097300969.db2.gz ITYLGMFQJBJSPX-UHFFFAOYSA-N -1 3 339.746 2.691 20 30 EFEDHM Cc1nc(F)ccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC001606044984 1097305918 /nfs/dbraw/zinc/30/59/18/1097305918.db2.gz VVOBEOXGKVKYIY-MDWZMJQESA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1nc(F)ccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC001606044984 1097305922 /nfs/dbraw/zinc/30/59/22/1097305922.db2.gz VVOBEOXGKVKYIY-MDWZMJQESA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001606172487 1097336172 /nfs/dbraw/zinc/33/61/72/1097336172.db2.gz WUADADFYLMZVPV-UHFFFAOYSA-N -1 3 328.357 2.570 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC001606172487 1097336174 /nfs/dbraw/zinc/33/61/74/1097336174.db2.gz WUADADFYLMZVPV-UHFFFAOYSA-N -1 3 328.357 2.570 20 30 EFEDHM Cc1occc1-c1noc([C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001606175337 1097337548 /nfs/dbraw/zinc/33/75/48/1097337548.db2.gz FZERYCLDEJEZFO-ZDUSSCGKSA-N -1 3 347.338 2.668 20 30 EFEDHM Cc1occc1-c1noc([C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001606175337 1097337554 /nfs/dbraw/zinc/33/75/54/1097337554.db2.gz FZERYCLDEJEZFO-ZDUSSCGKSA-N -1 3 347.338 2.668 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001606276704 1097360054 /nfs/dbraw/zinc/36/00/54/1097360054.db2.gz TYJPNYJVLVIPNK-NTEUORMPSA-N -1 3 346.394 2.690 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001606276704 1097360058 /nfs/dbraw/zinc/36/00/58/1097360058.db2.gz TYJPNYJVLVIPNK-NTEUORMPSA-N -1 3 346.394 2.690 20 30 EFEDHM Cn1nccc1-c1ccccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001606278980 1097360093 /nfs/dbraw/zinc/36/00/93/1097360093.db2.gz XJZXYTLEFVKNBT-UHFFFAOYSA-N -1 3 344.382 2.713 20 30 EFEDHM Cn1nccc1-c1ccccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001606278980 1097360097 /nfs/dbraw/zinc/36/00/97/1097360097.db2.gz XJZXYTLEFVKNBT-UHFFFAOYSA-N -1 3 344.382 2.713 20 30 EFEDHM Fc1cc(-c2nnn[n-]2)cc(F)c1C=NNc1cccc(Cl)n1 ZINC001606306242 1097370167 /nfs/dbraw/zinc/37/01/67/1097370167.db2.gz HJTBKIMHYKACGN-UHFFFAOYSA-N -1 3 335.705 2.639 20 30 EFEDHM Fc1cc(-c2nn[n-]n2)cc(F)c1C=NNc1cccc(Cl)n1 ZINC001606306242 1097370171 /nfs/dbraw/zinc/37/01/71/1097370171.db2.gz HJTBKIMHYKACGN-UHFFFAOYSA-N -1 3 335.705 2.639 20 30 EFEDHM N#C[C@@]1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CC12CCCC2 ZINC001606340381 1097388427 /nfs/dbraw/zinc/38/84/27/1097388427.db2.gz MZHJMUXHYZMQBU-QGZVFWFLSA-N -1 3 341.346 2.523 20 30 EFEDHM N#C[C@@]1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CC12CCCC2 ZINC001606340381 1097388433 /nfs/dbraw/zinc/38/84/33/1097388433.db2.gz MZHJMUXHYZMQBU-QGZVFWFLSA-N -1 3 341.346 2.523 20 30 EFEDHM N#C[C@@]1(C(=O)OCc2ccccc2-c2nnn[n-]2)CC2CCC1CC2 ZINC001606340549 1097388827 /nfs/dbraw/zinc/38/88/27/1097388827.db2.gz TUYSHTZSWBRQIT-WFZFXDGQSA-N -1 3 337.383 2.630 20 30 EFEDHM N#C[C@@]1(C(=O)OCc2ccccc2-c2nn[n-]n2)CC2CCC1CC2 ZINC001606340549 1097388832 /nfs/dbraw/zinc/38/88/32/1097388832.db2.gz TUYSHTZSWBRQIT-WFZFXDGQSA-N -1 3 337.383 2.630 20 30 EFEDHM N#CCC1(CNc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)CC1 ZINC001606345503 1097390219 /nfs/dbraw/zinc/39/02/19/1097390219.db2.gz FBONZOZOXSZBEK-UHFFFAOYSA-N -1 3 338.293 2.871 20 30 EFEDHM N#CCC1(CNc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)CC1 ZINC001606345503 1097390223 /nfs/dbraw/zinc/39/02/23/1097390223.db2.gz FBONZOZOXSZBEK-UHFFFAOYSA-N -1 3 338.293 2.871 20 30 EFEDHM N#CCn1c(C=Cc2cc(-c3nnn[n-]3)cs2)nc2ccccc21 ZINC001606354157 1097390797 /nfs/dbraw/zinc/39/07/97/1097390797.db2.gz BCAMQBKKYCKTDW-AATRIKPKSA-N -1 3 333.380 2.972 20 30 EFEDHM N#CCn1c(C=Cc2cc(-c3nn[n-]n3)cs2)nc2ccccc21 ZINC001606354157 1097390804 /nfs/dbraw/zinc/39/08/04/1097390804.db2.gz BCAMQBKKYCKTDW-AATRIKPKSA-N -1 3 333.380 2.972 20 30 EFEDHM N#CCCc1ccc(Nc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001606349178 1097391028 /nfs/dbraw/zinc/39/10/28/1097391028.db2.gz DXXYCAKLPWGHFO-UHFFFAOYSA-N -1 3 335.327 2.975 20 30 EFEDHM N#CCCc1ccc(Nc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001606349178 1097391032 /nfs/dbraw/zinc/39/10/32/1097391032.db2.gz DXXYCAKLPWGHFO-UHFFFAOYSA-N -1 3 335.327 2.975 20 30 EFEDHM N#CCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001606349314 1097391290 /nfs/dbraw/zinc/39/12/90/1097391290.db2.gz LKSAPKCJEXYSCB-UHFFFAOYSA-N -1 3 349.354 2.694 20 30 EFEDHM N#CCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001606349314 1097391296 /nfs/dbraw/zinc/39/12/96/1097391296.db2.gz LKSAPKCJEXYSCB-UHFFFAOYSA-N -1 3 349.354 2.694 20 30 EFEDHM N#CCc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)cc1 ZINC001606351944 1097391401 /nfs/dbraw/zinc/39/14/01/1097391401.db2.gz ZHFQPIDYZRGHFD-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)cc1 ZINC001606351944 1097391409 /nfs/dbraw/zinc/39/14/09/1097391409.db2.gz ZHFQPIDYZRGHFD-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC/C=C/c1ccccc1 ZINC001606357497 1097392422 /nfs/dbraw/zinc/39/24/22/1097392422.db2.gz PSJOXQIGWUGJQL-XBXARRHUSA-N -1 3 349.423 2.911 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC/C=C/c1ccccc1 ZINC001606357497 1097392423 /nfs/dbraw/zinc/39/24/23/1097392423.db2.gz PSJOXQIGWUGJQL-XBXARRHUSA-N -1 3 349.423 2.911 20 30 EFEDHM N#Cc1cc(C(F)(F)F)cc(Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001606361350 1097392790 /nfs/dbraw/zinc/39/27/90/1097392790.db2.gz FLSVGVBZKWOOSV-UHFFFAOYSA-N -1 3 332.245 2.944 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC/C=C\c1ccccc1 ZINC001606357498 1097393135 /nfs/dbraw/zinc/39/31/35/1097393135.db2.gz PSJOXQIGWUGJQL-YWEYNIOJSA-N -1 3 349.423 2.911 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC/C=C\c1ccccc1 ZINC001606357498 1097393142 /nfs/dbraw/zinc/39/31/42/1097393142.db2.gz PSJOXQIGWUGJQL-YWEYNIOJSA-N -1 3 349.423 2.911 20 30 EFEDHM N#Cc1cc(Cl)ccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC001606362141 1097393269 /nfs/dbraw/zinc/39/32/69/1097393269.db2.gz ZOQNDXCHWCXJRW-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(Cl)ccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC001606362141 1097393275 /nfs/dbraw/zinc/39/32/75/1097393275.db2.gz ZOQNDXCHWCXJRW-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(C(=O)N(c2cccc(-c3nnn[n-]3)c2)C2CCC2)cc1 ZINC001606363531 1097394033 /nfs/dbraw/zinc/39/40/33/1097394033.db2.gz KRQINMYWYCZEJI-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1ccc(C(=O)N(c2cccc(-c3nn[n-]n3)c2)C2CCC2)cc1 ZINC001606363531 1097394037 /nfs/dbraw/zinc/39/40/37/1097394037.db2.gz KRQINMYWYCZEJI-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)cc1F ZINC001606373025 1097394108 /nfs/dbraw/zinc/39/41/08/1097394108.db2.gz STCDMJCLESWMOU-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)cc1F ZINC001606373025 1097394114 /nfs/dbraw/zinc/39/41/14/1097394114.db2.gz STCDMJCLESWMOU-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(C(F)F)o2)cc1-c1nnn[n-]1 ZINC001606377563 1097395662 /nfs/dbraw/zinc/39/56/62/1097395662.db2.gz LVTAODKSAYHFMK-UHFFFAOYSA-N -1 3 330.254 2.521 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(C(F)F)o2)cc1-c1nn[n-]n1 ZINC001606377563 1097395666 /nfs/dbraw/zinc/39/56/66/1097395666.db2.gz LVTAODKSAYHFMK-UHFFFAOYSA-N -1 3 330.254 2.521 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1cccc2cccnc21 ZINC001606379713 1097395879 /nfs/dbraw/zinc/39/58/79/1097395879.db2.gz JVDQAAKBBIJAIE-UHFFFAOYSA-N -1 3 341.378 2.941 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1cccc2cccnc21 ZINC001606379713 1097395881 /nfs/dbraw/zinc/39/58/81/1097395881.db2.gz JVDQAAKBBIJAIE-UHFFFAOYSA-N -1 3 341.378 2.941 20 30 EFEDHM N#Cc1cccc(C(=O)N(c2ccccc2-c2nnn[n-]2)C2CCC2)c1 ZINC001606379800 1097396530 /nfs/dbraw/zinc/39/65/30/1097396530.db2.gz CFEUSSLXWMNRJI-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1cccc(C(=O)N(c2ccccc2-c2nn[n-]n2)C2CCC2)c1 ZINC001606379800 1097396535 /nfs/dbraw/zinc/39/65/35/1097396535.db2.gz CFEUSSLXWMNRJI-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1cccc2c1CN(Cc1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC001606384947 1097397077 /nfs/dbraw/zinc/39/70/77/1097397077.db2.gz KMUIVJNQVIMUCZ-UHFFFAOYSA-N -1 3 336.786 2.908 20 30 EFEDHM N#Cc1cccc2c1CN(Cc1ccc(Cl)cc1-c1nn[n-]n1)C2 ZINC001606384947 1097397080 /nfs/dbraw/zinc/39/70/80/1097397080.db2.gz KMUIVJNQVIMUCZ-UHFFFAOYSA-N -1 3 336.786 2.908 20 30 EFEDHM N#Cc1ccccc1C=Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001606384868 1097397181 /nfs/dbraw/zinc/39/71/81/1097397181.db2.gz HLUSUCATKVBRIT-KTKRTIGZSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccccc1C=Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001606384868 1097397185 /nfs/dbraw/zinc/39/71/85/1097397185.db2.gz HLUSUCATKVBRIT-KTKRTIGZSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001606380824 1097397340 /nfs/dbraw/zinc/39/73/40/1097397340.db2.gz FKZSEQVFXDAVRM-ZBFHGGJFSA-N -1 3 338.415 2.524 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC001606380824 1097397344 /nfs/dbraw/zinc/39/73/44/1097397344.db2.gz FKZSEQVFXDAVRM-ZBFHGGJFSA-N -1 3 338.415 2.524 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001606380814 1097397355 /nfs/dbraw/zinc/39/73/55/1097397355.db2.gz FKZSEQVFXDAVRM-GDBMZVCRSA-N -1 3 338.415 2.524 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC001606380814 1097397360 /nfs/dbraw/zinc/39/73/60/1097397360.db2.gz FKZSEQVFXDAVRM-GDBMZVCRSA-N -1 3 338.415 2.524 20 30 EFEDHM N#Cc1csc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC001606388993 1097398021 /nfs/dbraw/zinc/39/80/21/1097398021.db2.gz IYMHMLIXMVXZAP-ONEGZZNKSA-N -1 3 342.771 2.744 20 30 EFEDHM N#Cc1csc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001606388993 1097398027 /nfs/dbraw/zinc/39/80/27/1097398027.db2.gz IYMHMLIXMVXZAP-ONEGZZNKSA-N -1 3 342.771 2.744 20 30 EFEDHM O=C(C=Cc1c(F)ccc(O)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606482284 1097405403 /nfs/dbraw/zinc/40/54/03/1097405403.db2.gz LRIDWJJPXYOXRZ-HYXAFXHYSA-N -1 3 346.268 2.886 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)CCO2 ZINC001606483282 1097405662 /nfs/dbraw/zinc/40/56/62/1097405662.db2.gz ZZKQJSFEHLWYHC-XQRVVYSFSA-N -1 3 336.326 2.837 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)CCO2 ZINC001606483282 1097405666 /nfs/dbraw/zinc/40/56/66/1097405666.db2.gz ZZKQJSFEHLWYHC-XQRVVYSFSA-N -1 3 336.326 2.837 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C2CCC2)c1 ZINC001606482364 1097405836 /nfs/dbraw/zinc/40/58/36/1097405836.db2.gz MEUVRASEYVMILG-XQRVVYSFSA-N -1 3 326.385 2.746 20 30 EFEDHM O=C1c2cc(O)ccc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001607036203 1097500888 /nfs/dbraw/zinc/50/08/88/1097500888.db2.gz BXOSFNFBZJHATO-GHXNOFRVSA-N -1 3 336.326 2.924 20 30 EFEDHM O=C1c2cc(O)ccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001607036203 1097500892 /nfs/dbraw/zinc/50/08/92/1097500892.db2.gz BXOSFNFBZJHATO-GHXNOFRVSA-N -1 3 336.326 2.924 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001607036829 1097502062 /nfs/dbraw/zinc/50/20/62/1097502062.db2.gz NRLBQNLVSBZXQL-WZUFQYTHSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001607036829 1097502063 /nfs/dbraw/zinc/50/20/63/1097502063.db2.gz NRLBQNLVSBZXQL-WZUFQYTHSA-N -1 3 340.289 2.804 20 30 EFEDHM N#CC1(C(=O)[O-])CCN(Cc2ccccc2N2CCCCC2)CC1 ZINC001608174766 1097851710 /nfs/dbraw/zinc/85/17/10/1097851710.db2.gz XQPUJBZCOIMOLA-UHFFFAOYSA-N -1 3 327.428 2.867 20 30 EFEDHM N#C[C@@H]1CNCC12CC(C(=O)Nc1cc3ccccc3cc1C(=O)[O-])C2 ZINC001608179090 1097853077 /nfs/dbraw/zinc/85/30/77/1097853077.db2.gz FRHIHXHRJBAZOC-RDYUPDBUSA-N -1 3 349.390 2.616 20 30 EFEDHM N#CCc1cccc2c1CCN(CCOc1cccc(C(=O)[O-])c1)C2 ZINC001608189414 1097855026 /nfs/dbraw/zinc/85/50/26/1097855026.db2.gz QSPVXCPHKSTMAV-UHFFFAOYSA-N -1 3 336.391 2.888 20 30 EFEDHM N#Cc1c(CN2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1C(=O)[O-] ZINC001608191198 1097856304 /nfs/dbraw/zinc/85/63/04/1097856304.db2.gz IMRQJUAFDICLQI-NXHRZFHOSA-N -1 3 328.412 2.772 20 30 EFEDHM N#Cc1nc(C(=O)[O-])ccc1NC[C@H](c1cccs1)N1CCCC1 ZINC001608223633 1097869966 /nfs/dbraw/zinc/86/99/66/1097869966.db2.gz BBGQFKVLTSPBJQ-OAHLLOKOSA-N -1 3 342.424 2.962 20 30 EFEDHM C#CC1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC001609019668 1098112613 /nfs/dbraw/zinc/11/26/13/1098112613.db2.gz BMCQKFGNRAEESF-UHFFFAOYSA-N -1 3 340.337 2.543 20 30 EFEDHM C#CC1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC001609019668 1098112616 /nfs/dbraw/zinc/11/26/16/1098112616.db2.gz BMCQKFGNRAEESF-UHFFFAOYSA-N -1 3 340.337 2.543 20 30 EFEDHM C#C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001609019178 1098113035 /nfs/dbraw/zinc/11/30/35/1098113035.db2.gz OUTREXFJLLMIIO-ZDUSSCGKSA-N -1 3 347.378 2.719 20 30 EFEDHM C#C[C@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001609019178 1098113036 /nfs/dbraw/zinc/11/30/36/1098113036.db2.gz OUTREXFJLLMIIO-ZDUSSCGKSA-N -1 3 347.378 2.719 20 30 EFEDHM C#C[C@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609018753 1098113442 /nfs/dbraw/zinc/11/34/42/1098113442.db2.gz FSYDBTDEFQDUGZ-LBPRGKRZSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609018753 1098113445 /nfs/dbraw/zinc/11/34/45/1098113445.db2.gz FSYDBTDEFQDUGZ-LBPRGKRZSA-N -1 3 348.366 2.802 20 30 EFEDHM C=C(Br)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001609022441 1098113968 /nfs/dbraw/zinc/11/39/68/1098113968.db2.gz SCKCNUUSJDWKII-UHFFFAOYSA-N -1 3 336.237 2.986 20 30 EFEDHM C=C(Br)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001609022441 1098113971 /nfs/dbraw/zinc/11/39/71/1098113971.db2.gz SCKCNUUSJDWKII-UHFFFAOYSA-N -1 3 336.237 2.986 20 30 EFEDHM C=C(CC)CNC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609051707 1098121671 /nfs/dbraw/zinc/12/16/71/1098121671.db2.gz PNLMVOZYZKWOPC-UHFFFAOYSA-N -1 3 328.420 2.755 20 30 EFEDHM C=C(CC)CNC(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609051707 1098121675 /nfs/dbraw/zinc/12/16/75/1098121675.db2.gz PNLMVOZYZKWOPC-UHFFFAOYSA-N -1 3 328.420 2.755 20 30 EFEDHM C=CC[C@H](C)NC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052709 1098122820 /nfs/dbraw/zinc/12/28/20/1098122820.db2.gz NOESDDBBXCIVGW-XHDPSFHLSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CC[C@H](C)NC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052709 1098122823 /nfs/dbraw/zinc/12/28/23/1098122823.db2.gz NOESDDBBXCIVGW-XHDPSFHLSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CCCC(=O)OCc1ccc(Br)cc1-c1nnn[n-]1 ZINC001609053382 1098122854 /nfs/dbraw/zinc/12/28/54/1098122854.db2.gz HPDCBVBCCSHQEH-UHFFFAOYSA-N -1 3 337.177 2.639 20 30 EFEDHM C=CCCC(=O)OCc1ccc(Br)cc1-c1nn[n-]n1 ZINC001609053382 1098122859 /nfs/dbraw/zinc/12/28/59/1098122859.db2.gz HPDCBVBCCSHQEH-UHFFFAOYSA-N -1 3 337.177 2.639 20 30 EFEDHM C=CC[C@H]1N(C(=O)c2ccc(-c3nnn[n-]3)c(C)n2)CCCC1(C)C ZINC001609053145 1098123208 /nfs/dbraw/zinc/12/32/08/1098123208.db2.gz FGFGPLRBDSQFAC-OAHLLOKOSA-N -1 3 340.431 2.777 20 30 EFEDHM C=CC[C@H]1N(C(=O)c2ccc(-c3nn[n-]n3)c(C)n2)CCCC1(C)C ZINC001609053145 1098123211 /nfs/dbraw/zinc/12/32/11/1098123211.db2.gz FGFGPLRBDSQFAC-OAHLLOKOSA-N -1 3 340.431 2.777 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001609053209 1098123344 /nfs/dbraw/zinc/12/33/44/1098123344.db2.gz FOFQEGOVZAITNJ-CQSZACIVSA-N -1 3 331.445 2.571 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001609053209 1098123349 /nfs/dbraw/zinc/12/33/49/1098123349.db2.gz FOFQEGOVZAITNJ-CQSZACIVSA-N -1 3 331.445 2.571 20 30 EFEDHM C=CCC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)CCC1 ZINC001609053302 1098123438 /nfs/dbraw/zinc/12/34/38/1098123438.db2.gz HTMKUPMWZHKYSJ-UHFFFAOYSA-N -1 3 328.372 2.665 20 30 EFEDHM C=CCC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)CCC1 ZINC001609053302 1098123440 /nfs/dbraw/zinc/12/34/40/1098123440.db2.gz HTMKUPMWZHKYSJ-UHFFFAOYSA-N -1 3 328.372 2.665 20 30 EFEDHM C=CCCCCCN(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609053454 1098123450 /nfs/dbraw/zinc/12/34/50/1098123450.db2.gz JRFWMWOFKPUNGN-UHFFFAOYSA-N -1 3 346.410 2.894 20 30 EFEDHM C=CCCCCCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609053454 1098123457 /nfs/dbraw/zinc/12/34/57/1098123457.db2.gz JRFWMWOFKPUNGN-UHFFFAOYSA-N -1 3 346.410 2.894 20 30 EFEDHM C=CCN(CCC#N)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609055526 1098124312 /nfs/dbraw/zinc/12/43/12/1098124312.db2.gz HCMJNZMGFXMBJZ-UHFFFAOYSA-N -1 3 347.835 2.619 20 30 EFEDHM C=CCN(CCC#N)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609055526 1098124315 /nfs/dbraw/zinc/12/43/15/1098124315.db2.gz HCMJNZMGFXMBJZ-UHFFFAOYSA-N -1 3 347.835 2.619 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001609056264 1098124562 /nfs/dbraw/zinc/12/45/62/1098124562.db2.gz AAGSTSGSQFMVBA-UAGQMJEPSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001609056264 1098124566 /nfs/dbraw/zinc/12/45/66/1098124566.db2.gz AAGSTSGSQFMVBA-UAGQMJEPSA-N -1 3 337.427 2.818 20 30 EFEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)[C@H]1CCCO1 ZINC001609061318 1098125605 /nfs/dbraw/zinc/12/56/05/1098125605.db2.gz WGOTZOBHRTZROF-GFCCVEGCSA-N -1 3 340.309 2.852 20 30 EFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)[C@H]1CCCO1 ZINC001609061318 1098125608 /nfs/dbraw/zinc/12/56/08/1098125608.db2.gz WGOTZOBHRTZROF-GFCCVEGCSA-N -1 3 340.309 2.852 20 30 EFEDHM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001609061156 1098125886 /nfs/dbraw/zinc/12/58/86/1098125886.db2.gz IJJAZLNOEQVUBS-UHFFFAOYSA-N -1 3 345.366 2.544 20 30 EFEDHM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001609061156 1098125889 /nfs/dbraw/zinc/12/58/89/1098125889.db2.gz IJJAZLNOEQVUBS-UHFFFAOYSA-N -1 3 345.366 2.544 20 30 EFEDHM C=CCNc1nnc(Sc2cccc(F)c2-c2nnn[n-]2)s1 ZINC001609058726 1098126229 /nfs/dbraw/zinc/12/62/29/1098126229.db2.gz QUUHPXWDVQCICC-UHFFFAOYSA-N -1 3 335.393 2.606 20 30 EFEDHM CC(C)c1nc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)co1 ZINC001609061180 1098126655 /nfs/dbraw/zinc/12/66/55/1098126655.db2.gz JUGBJNHLOQPHRE-UHFFFAOYSA-N -1 3 346.782 2.863 20 30 EFEDHM CC(C)c1nc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)co1 ZINC001609061180 1098126657 /nfs/dbraw/zinc/12/66/57/1098126657.db2.gz JUGBJNHLOQPHRE-UHFFFAOYSA-N -1 3 346.782 2.863 20 30 EFEDHM CC(C)(C)Oc1ccc(NC(=O)C2(C#N)CCC2)cc1-c1nnn[n-]1 ZINC001609080141 1098134451 /nfs/dbraw/zinc/13/44/51/1098134451.db2.gz NOXHALUATXVZAL-UHFFFAOYSA-N -1 3 340.387 2.676 20 30 EFEDHM CC(C)(C)Oc1ccc(NC(=O)C2(C#N)CCC2)cc1-c1nn[n-]n1 ZINC001609080141 1098134453 /nfs/dbraw/zinc/13/44/53/1098134453.db2.gz NOXHALUATXVZAL-UHFFFAOYSA-N -1 3 340.387 2.676 20 30 EFEDHM CC(C)(CC#N)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609083036 1098135019 /nfs/dbraw/zinc/13/50/19/1098135019.db2.gz RVBCRJDKXYAFHM-UHFFFAOYSA-N -1 3 333.783 2.581 20 30 EFEDHM CC(C)(CC#N)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609083036 1098135024 /nfs/dbraw/zinc/13/50/24/1098135024.db2.gz RVBCRJDKXYAFHM-UHFFFAOYSA-N -1 3 333.783 2.581 20 30 EFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccncc1C#N ZINC001609099024 1098144944 /nfs/dbraw/zinc/14/49/44/1098144944.db2.gz ZWYFNGYMEXHBMJ-UHFFFAOYSA-N -1 3 333.399 2.544 20 30 EFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccncc1C#N ZINC001609099024 1098144947 /nfs/dbraw/zinc/14/49/47/1098144947.db2.gz ZWYFNGYMEXHBMJ-UHFFFAOYSA-N -1 3 333.399 2.544 20 30 EFEDHM CC1(C)CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@@H]1C#N ZINC001609145619 1098167441 /nfs/dbraw/zinc/16/74/41/1098167441.db2.gz UWNAFPGTVDZLRV-CYBMUJFWSA-N -1 3 344.806 2.674 20 30 EFEDHM CC1(C)CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@@H]1C#N ZINC001609145619 1098167446 /nfs/dbraw/zinc/16/74/46/1098167446.db2.gz UWNAFPGTVDZLRV-CYBMUJFWSA-N -1 3 344.806 2.674 20 30 EFEDHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCCC#N ZINC001609242112 1098217146 /nfs/dbraw/zinc/21/71/46/1098217146.db2.gz OYNKJALVMUMDLE-UHFFFAOYSA-N -1 3 335.751 2.518 20 30 EFEDHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCCC#N ZINC001609242112 1098217149 /nfs/dbraw/zinc/21/71/49/1098217149.db2.gz OYNKJALVMUMDLE-UHFFFAOYSA-N -1 3 335.751 2.518 20 30 EFEDHM CCOc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1O ZINC001609242794 1098218695 /nfs/dbraw/zinc/21/86/95/1098218695.db2.gz ILVRRLKBPJLDMU-VGOFMYFVSA-N -1 3 348.362 2.793 20 30 EFEDHM CCOc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1O ZINC001609242794 1098218696 /nfs/dbraw/zinc/21/86/96/1098218696.db2.gz ILVRRLKBPJLDMU-VGOFMYFVSA-N -1 3 348.362 2.793 20 30 EFEDHM CN(CCCOc1ccccc1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001609274899 1098233404 /nfs/dbraw/zinc/23/34/04/1098233404.db2.gz SZBGDNCGSLYMRE-UHFFFAOYSA-N -1 3 334.383 2.644 20 30 EFEDHM CN(CCCOc1ccccc1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001609274899 1098233411 /nfs/dbraw/zinc/23/34/11/1098233411.db2.gz SZBGDNCGSLYMRE-UHFFFAOYSA-N -1 3 334.383 2.644 20 30 EFEDHM CN(CC(C)(C)C#N)c1ccc(-c2nn[n-]n2)cc1Br ZINC001609271703 1098233453 /nfs/dbraw/zinc/23/34/53/1098233453.db2.gz PMCYMFZORZPBCU-UHFFFAOYSA-N -1 3 335.209 2.615 20 30 EFEDHM COc1cc(C=C2Oc3ccc(F)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001609340758 1098255221 /nfs/dbraw/zinc/25/52/21/1098255221.db2.gz WFWGBBDTRNAONF-CHHVJCJISA-N -1 3 338.298 2.631 20 30 EFEDHM COc1cc(C=C2Oc3ccc(F)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001609340758 1098255226 /nfs/dbraw/zinc/25/52/26/1098255226.db2.gz WFWGBBDTRNAONF-CHHVJCJISA-N -1 3 338.298 2.631 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)cc1O ZINC001609351839 1098261781 /nfs/dbraw/zinc/26/17/81/1098261781.db2.gz AHYWSAGXHHQARD-DAXSKMNVSA-N -1 3 336.351 2.785 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)cc1O ZINC001609351839 1098261785 /nfs/dbraw/zinc/26/17/85/1098261785.db2.gz AHYWSAGXHHQARD-DAXSKMNVSA-N -1 3 336.351 2.785 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1O ZINC001609351964 1098262262 /nfs/dbraw/zinc/26/22/62/1098262262.db2.gz GEFQVXBLZRPPOR-ONEGZZNKSA-N -1 3 328.353 2.539 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1O ZINC001609351964 1098262268 /nfs/dbraw/zinc/26/22/68/1098262268.db2.gz GEFQVXBLZRPPOR-ONEGZZNKSA-N -1 3 328.353 2.539 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)c(C)c1)CO2 ZINC001609359438 1098265530 /nfs/dbraw/zinc/26/55/30/1098265530.db2.gz QARZNUOYOUOZNN-JYRVWZFOSA-N -1 3 348.362 2.842 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)c(C)c1)CO2 ZINC001609359438 1098265536 /nfs/dbraw/zinc/26/55/36/1098265536.db2.gz QARZNUOYOUOZNN-JYRVWZFOSA-N -1 3 348.362 2.842 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C#N)ccc1Cl ZINC001609416305 1098302977 /nfs/dbraw/zinc/30/29/77/1098302977.db2.gz UVYWTIBHWGDGRM-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)ccc1Cl ZINC001609416305 1098302982 /nfs/dbraw/zinc/30/29/82/1098302982.db2.gz UVYWTIBHWGDGRM-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1nc(N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001609451955 1098330418 /nfs/dbraw/zinc/33/04/18/1098330418.db2.gz VVGCNGFSSJIPNH-IAGOWNOFSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1nc(N2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001609451955 1098330423 /nfs/dbraw/zinc/33/04/23/1098330423.db2.gz VVGCNGFSSJIPNH-IAGOWNOFSA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1nc(F)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001609450731 1098331142 /nfs/dbraw/zinc/33/11/42/1098331142.db2.gz SNTNXEQENHPSHO-ZZXKWVIFSA-N -1 3 327.294 2.744 20 30 EFEDHM Cc1nc(F)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001609450731 1098331148 /nfs/dbraw/zinc/33/11/48/1098331148.db2.gz SNTNXEQENHPSHO-ZZXKWVIFSA-N -1 3 327.294 2.744 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NN=Cc1cccnc1 ZINC001609484263 1098349818 /nfs/dbraw/zinc/34/98/18/1098349818.db2.gz CEQVVZQBDZSAED-UHFFFAOYSA-N -1 3 333.277 2.727 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001609493773 1098360265 /nfs/dbraw/zinc/36/02/65/1098360265.db2.gz PYCRFPQGECJIAF-GDBMZVCRSA-N -1 3 349.373 2.677 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001609493773 1098360270 /nfs/dbraw/zinc/36/02/70/1098360270.db2.gz PYCRFPQGECJIAF-GDBMZVCRSA-N -1 3 349.373 2.677 20 30 EFEDHM Fc1cccc(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)c1F ZINC001609492122 1098360390 /nfs/dbraw/zinc/36/03/90/1098360390.db2.gz GWAZUIWZZYGSRE-UHFFFAOYSA-N -1 3 326.310 2.907 20 30 EFEDHM N#CC[C@H](CC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC001609494479 1098360618 /nfs/dbraw/zinc/36/06/18/1098360618.db2.gz FDWCVGFXGLEJHI-GFCCVEGCSA-N -1 3 338.396 2.954 20 30 EFEDHM N#CC[C@H](CC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC001609494479 1098360625 /nfs/dbraw/zinc/36/06/25/1098360625.db2.gz FDWCVGFXGLEJHI-GFCCVEGCSA-N -1 3 338.396 2.954 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001609499356 1098362038 /nfs/dbraw/zinc/36/20/38/1098362038.db2.gz LSFITRPGBGEIAR-QGZVFWFLSA-N -1 3 343.394 2.721 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001609499356 1098362045 /nfs/dbraw/zinc/36/20/45/1098362045.db2.gz LSFITRPGBGEIAR-QGZVFWFLSA-N -1 3 343.394 2.721 20 30 EFEDHM N#Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC001609499204 1098362191 /nfs/dbraw/zinc/36/21/91/1098362191.db2.gz YUNBSVVADIVBTJ-UHFFFAOYSA-N -1 3 343.705 2.750 20 30 EFEDHM N#Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC001609499204 1098362200 /nfs/dbraw/zinc/36/22/00/1098362200.db2.gz YUNBSVVADIVBTJ-UHFFFAOYSA-N -1 3 343.705 2.750 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc(N2CCCCC2)nc1 ZINC001609499954 1098363180 /nfs/dbraw/zinc/36/31/80/1098363180.db2.gz RILFSADNRJODMG-UHFFFAOYSA-N -1 3 346.398 2.867 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc(N2CCCCC2)nc1 ZINC001609499954 1098363188 /nfs/dbraw/zinc/36/31/88/1098363188.db2.gz RILFSADNRJODMG-UHFFFAOYSA-N -1 3 346.398 2.867 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1([C@@H](O)c2ccccc2)CC1 ZINC001609499688 1098363235 /nfs/dbraw/zinc/36/32/35/1098363235.db2.gz FBKNJAWFFJOGDI-KRWDZBQOSA-N -1 3 346.394 2.664 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1([C@@H](O)c2ccccc2)CC1 ZINC001609499688 1098363243 /nfs/dbraw/zinc/36/32/43/1098363243.db2.gz FBKNJAWFFJOGDI-KRWDZBQOSA-N -1 3 346.394 2.664 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1CCN(c2ccccc2F)C1 ZINC001609499666 1098364763 /nfs/dbraw/zinc/36/47/63/1098364763.db2.gz DAVVVCYRKFGSEN-ZDUSSCGKSA-N -1 3 349.373 2.568 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1CCN(c2ccccc2F)C1 ZINC001609499666 1098364768 /nfs/dbraw/zinc/36/47/68/1098364768.db2.gz DAVVVCYRKFGSEN-ZDUSSCGKSA-N -1 3 349.373 2.568 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccccc1-c1nnn[n-]1 ZINC001609517815 1098365345 /nfs/dbraw/zinc/36/53/45/1098365345.db2.gz PQJUPIQTNWODJB-ALCCZGGFSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1ccccc1-c1nn[n-]n1 ZINC001609517815 1098365351 /nfs/dbraw/zinc/36/53/51/1098365351.db2.gz PQJUPIQTNWODJB-ALCCZGGFSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cnn(-c2ccccc2)c1 ZINC001609517958 1098366401 /nfs/dbraw/zinc/36/64/01/1098366401.db2.gz XBVABFLRYLRIPB-FLIBITNWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccc2)c1 ZINC001609517958 1098366407 /nfs/dbraw/zinc/36/64/07/1098366407.db2.gz XBVABFLRYLRIPB-FLIBITNWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C1C(=Cc2nc(Cl)cs2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001609585768 1098392122 /nfs/dbraw/zinc/39/21/22/1098392122.db2.gz FDLRIPAOHRKAKR-XBXARRHUSA-N -1 3 344.787 2.584 20 30 EFEDHM O=C1C(=Cc2nc(Cl)cs2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001609585768 1098392126 /nfs/dbraw/zinc/39/21/26/1098392126.db2.gz FDLRIPAOHRKAKR-XBXARRHUSA-N -1 3 344.787 2.584 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC001609774133 1098453141 /nfs/dbraw/zinc/45/31/41/1098453141.db2.gz JPTOQMFTUDFCRU-FPWDIPAHSA-N -1 3 342.420 2.772 20 30 EFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1 ZINC001609777746 1098454402 /nfs/dbraw/zinc/45/44/02/1098454402.db2.gz WZYQQPPOIUQTIU-FZKQIMNGSA-N -1 3 347.378 2.615 20 30 EFEDHM C=CCN1CC[C@@]2(CCCN(C(=O)c3ccc(C)cc3[O-])CC2)C1=O ZINC001269950816 1098541729 /nfs/dbraw/zinc/54/17/29/1098541729.db2.gz GLPKYYCOUSTVGJ-FQEVSTJZSA-N -1 3 342.439 2.731 20 30 EFEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1C#N ZINC001610336648 1098627159 /nfs/dbraw/zinc/62/71/59/1098627159.db2.gz XZYCUEFGTKFQBN-KRWDZBQOSA-N -1 3 328.343 2.930 20 30 EFEDHM Cc1ccc([C@H](NCc2cnc3ccc(C#N)cn23)C(=O)[O-])cc1C ZINC001610495288 1098713092 /nfs/dbraw/zinc/71/30/92/1098713092.db2.gz ODFYHCZVVKMLBR-SFHVURJKSA-N -1 3 334.379 2.738 20 30 EFEDHM N#CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)c1 ZINC001610621441 1098787900 /nfs/dbraw/zinc/78/79/00/1098787900.db2.gz JMWCBZIBZHBERA-GOSISDBHSA-N -1 3 340.379 2.990 20 30 EFEDHM N#Cc1ccc(CN2CCCN(Cc3ccc(C(=O)[O-])o3)CC2)cc1 ZINC001610627912 1098792364 /nfs/dbraw/zinc/79/23/64/1098792364.db2.gz JXVWRIGIELYHMJ-UHFFFAOYSA-N -1 3 339.395 2.557 20 30 EFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC001610629886 1098794722 /nfs/dbraw/zinc/79/47/22/1098794722.db2.gz GFZMRPCAOQTXQY-ZACQAIPSSA-N -1 3 326.396 2.717 20 30 EFEDHM C=CCN1c2ccccc2[C@]2(CCN(C(=O)c3ccc([O-])cc3)C2)C1=O ZINC001270961034 1100313774 /nfs/dbraw/zinc/31/37/74/1100313774.db2.gz XLHHXPKHGBONEH-OAQYLSRUSA-N -1 3 348.402 2.709 20 30 EFEDHM N#CCC1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)CC1 ZINC001633845113 1100569768 /nfs/dbraw/zinc/56/97/68/1100569768.db2.gz NKFDJTQZFOXASI-UHFFFAOYSA-N -1 3 329.787 2.947 20 30 EFEDHM N#CC1(CCOC(=O)CNC(=O)c2ccc([O-])cc2)CCCCC1 ZINC000840221087 1100925055 /nfs/dbraw/zinc/92/50/55/1100925055.db2.gz JLYPPQKGGVIMBZ-UHFFFAOYSA-N -1 3 330.384 2.529 20 30 EFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1c(C)cccc1[O-] ZINC001271661723 1102226302 /nfs/dbraw/zinc/22/63/02/1102226302.db2.gz YCNVHZRRCGXLRF-HXUWFJFHSA-N -1 3 342.439 2.874 20 30 EFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1c(C)cccc1[O-])CC2 ZINC001271661457 1102226748 /nfs/dbraw/zinc/22/67/48/1102226748.db2.gz XDGGURNXBHRRAO-HNNXBMFYSA-N -1 3 342.439 2.635 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)C)[nH]n1 ZINC000129018708 1103644351 /nfs/dbraw/zinc/64/43/51/1103644351.db2.gz DXFHYGSTGQHVAX-GFCCVEGCSA-N -1 3 340.383 2.893 20 30 EFEDHM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc(CC)ccc1[O-] ZINC001272210327 1107317815 /nfs/dbraw/zinc/31/78/15/1107317815.db2.gz FTHIYHOZNSRMBK-FQEVSTJZSA-N -1 3 342.439 2.738 20 30 EFEDHM C=C[C@H](CC)CC(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060175367 1107325956 /nfs/dbraw/zinc/32/59/56/1107325956.db2.gz KPKGYNGJZRLCLJ-CVEARBPZSA-N -1 3 344.455 2.963 20 30 EFEDHM O=C(CCN1CCCC1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182877 1107676759 /nfs/dbraw/zinc/67/67/59/1107676759.db2.gz RXZVTQIOFIDDLT-UHFFFAOYSA-N -1 3 331.199 2.724 20 30 EFEDHM Cc1csc(=O)n1CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904187988 1107688827 /nfs/dbraw/zinc/68/88/27/1107688827.db2.gz ZLHZUHMKIZVFSS-UHFFFAOYSA-N -1 3 326.805 2.680 20 30 EFEDHM O=C(NC1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1)C1CC1 ZINC000904174338 1107690632 /nfs/dbraw/zinc/69/06/32/1107690632.db2.gz ZKWQOFNZCLPKFY-UHFFFAOYSA-N -1 3 334.391 2.629 20 30 EFEDHM CC(=O)NCC(C)(C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178430 1107695167 /nfs/dbraw/zinc/69/51/67/1107695167.db2.gz JPPMJLNZAJLYEC-UHFFFAOYSA-N -1 3 333.215 2.874 20 30 EFEDHM CCCCN([O-])C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC000904208841 1107699648 /nfs/dbraw/zinc/69/96/48/1107699648.db2.gz LIEPHLZKTCOBCE-UHFFFAOYSA-N -1 3 348.443 2.712 20 30 EFEDHM O=C(c1cncc(N2CCOCC2)c1)N([O-])Cc1ccccc1Cl ZINC000904190865 1107703656 /nfs/dbraw/zinc/70/36/56/1107703656.db2.gz SEEJFPBROUXTTI-UHFFFAOYSA-N -1 3 347.802 2.603 20 30 EFEDHM COC(=O)Cc1occ(C)c1C(=O)N([O-])Cc1ccccc1Cl ZINC000904193031 1107705121 /nfs/dbraw/zinc/70/51/21/1107705121.db2.gz JIJLOKRMNLAYEO-UHFFFAOYSA-N -1 3 337.759 2.989 20 30 EFEDHM Cc1nc(N[C@H](C)C[C@H](C)NC(=O)c2ccccc2[O-])ccc1C#N ZINC001089244005 1108164581 /nfs/dbraw/zinc/16/45/81/1108164581.db2.gz LTGOPQGJLBCUHS-OLZOCXBDSA-N -1 3 338.411 2.976 20 30 EFEDHM Cc1ccc(C#N)c(N[C@H](C)C[C@@H](C)NC(=O)c2ccccc2[O-])n1 ZINC001089245192 1108174844 /nfs/dbraw/zinc/17/48/44/1108174844.db2.gz VSYNKAHBUJZOEA-ZIAGYGMSSA-N -1 3 338.411 2.976 20 30 EFEDHM COC(=O)[C@@H]1CC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000905001348 1108317830 /nfs/dbraw/zinc/31/78/30/1108317830.db2.gz HFAKSDIAOLGGPU-WYJRFODBSA-N -1 3 326.190 2.915 20 30 EFEDHM [O-]/N=C/c1cc(NCC2(N3CCCC3)COC2)cc(C(F)(F)F)c1 ZINC001168447210 1108606080 /nfs/dbraw/zinc/60/60/80/1108606080.db2.gz CHWUILMILAANDR-ODCIPOBUSA-N -1 3 343.349 2.790 20 30 EFEDHM CCOC(=O)[C@](C)(C/N=C/c1c([O-])c(C)ncc1CO)CC(C)C ZINC000899226852 1109251710 /nfs/dbraw/zinc/25/17/10/1109251710.db2.gz AAQUHFTYDIIFDN-ABQTWSPHSA-N -1 3 336.432 2.622 20 30 EFEDHM COc1cc(C(=O)/C=C/c2cn(C)nc2C2CC2)c(OC)cc1[O-] ZINC000899363428 1109297571 /nfs/dbraw/zinc/29/75/71/1109297571.db2.gz MKMNRTSEICAIDG-VOTSOKGWSA-N -1 3 328.368 2.916 20 30 EFEDHM Cc1nsc(NCC[C@@H](C)NC(=O)c2ccccc2[O-])c1C#N ZINC001106228089 1111181053 /nfs/dbraw/zinc/18/10/53/1111181053.db2.gz GKBXOLJVHABYOO-SNVBAGLBSA-N -1 3 330.413 2.649 20 30 EFEDHM C[C@H](CCNc1ncc(C#N)cc1Cl)NC(=O)c1ccccc1[O-] ZINC001106228548 1111181464 /nfs/dbraw/zinc/18/14/64/1111181464.db2.gz QSRCBVXNTPBVQL-LLVKDONJSA-N -1 3 344.802 2.933 20 30 EFEDHM N#Cc1cccnc1N[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]12 ZINC001060500889 1111287444 /nfs/dbraw/zinc/28/74/44/1111287444.db2.gz XDLZJQKYMMNXRM-DJIMGWMZSA-N -1 3 348.406 2.622 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC000942671481 1119060759 /nfs/dbraw/zinc/06/07/59/1119060759.db2.gz ATPWRESDICYIDF-AWEZNQCLSA-N -1 3 330.428 2.667 20 30 EFEDHM C=C1CCC(C(=O)NC[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC000943874775 1119765630 /nfs/dbraw/zinc/76/56/30/1119765630.db2.gz HKRXLTATQLEEMJ-MRXNPFEDSA-N -1 3 342.439 2.859 20 30 EFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1CCN(CC(F)(F)F)CC1 ZINC000051266023 214086239 /nfs/dbraw/zinc/08/62/39/214086239.db2.gz ZIJPCPKKGSXBGD-UHFFFAOYSA-N -1 3 345.247 2.686 20 30 EFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1CCN(CC(F)(F)F)CC1 ZINC000051266023 214086242 /nfs/dbraw/zinc/08/62/42/214086242.db2.gz ZIJPCPKKGSXBGD-UHFFFAOYSA-N -1 3 345.247 2.686 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2ccccc21 ZINC000053476868 214184861 /nfs/dbraw/zinc/18/48/61/214184861.db2.gz WQYVYZVWYLBKFK-SFHVURJKSA-N -1 3 335.407 2.600 20 30 EFEDHM Cc1ccc2c(c1)CC[C@H]2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000055659455 214336428 /nfs/dbraw/zinc/33/64/28/214336428.db2.gz DTYWLPFTDQXHJA-LJQANCHMSA-N -1 3 349.434 2.908 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](CC(C)C)C1 ZINC000174606114 231253962 /nfs/dbraw/zinc/25/39/62/231253962.db2.gz WGSUGDHMUKJDHG-HNNXBMFYSA-N -1 3 329.444 2.691 20 30 EFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000357555226 534939384 /nfs/dbraw/zinc/93/93/84/534939384.db2.gz DBGQXDMNDBFLFI-GFCCVEGCSA-N -1 3 347.209 2.559 20 30 EFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000357534226 534939592 /nfs/dbraw/zinc/93/95/92/534939592.db2.gz NUQKDUKLDPLSAU-CYBMUJFWSA-N -1 3 332.347 2.817 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1cccs1 ZINC000072277049 216103471 /nfs/dbraw/zinc/10/34/71/216103471.db2.gz JWFCVSDWBOVYHE-LLVKDONJSA-N -1 3 343.452 2.605 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1ncc(-c2ccccc2)o1 ZINC000165604600 239122626 /nfs/dbraw/zinc/12/26/26/239122626.db2.gz ICPMNLWWULJJTB-GFCCVEGCSA-N -1 3 331.397 2.626 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(F)c1C ZINC000073394049 216382564 /nfs/dbraw/zinc/38/25/64/216382564.db2.gz HSYFRDXDRYIPGL-UHFFFAOYSA-N -1 3 327.359 2.882 20 30 EFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(CC#N)c2)c1 ZINC000173970746 239213606 /nfs/dbraw/zinc/21/36/06/239213606.db2.gz VYOBBVRYAILFET-UHFFFAOYSA-N -1 3 343.408 2.685 20 30 EFEDHM CCO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccc1 ZINC000193544963 240113302 /nfs/dbraw/zinc/11/33/02/240113302.db2.gz KHUFHBFSSJUIDJ-INIZCTEOSA-N -1 3 348.399 2.753 20 30 EFEDHM COC(=O)[C@@H](C)Cc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000273574030 240706916 /nfs/dbraw/zinc/70/69/16/240706916.db2.gz ZYVHKXGCTFDWSL-SQWLXVSWSA-N -1 3 342.395 2.690 20 30 EFEDHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCCCC#N)c1 ZINC000280741815 240885543 /nfs/dbraw/zinc/88/55/43/240885543.db2.gz ONOMOXGQSHCXRU-UHFFFAOYSA-N -1 3 328.821 2.905 20 30 EFEDHM [O-]c1c(O)ccc(/C=N/C[C@H]2CCN(c3ccccc3F)C2)c1O ZINC000290927997 241024530 /nfs/dbraw/zinc/02/45/30/241024530.db2.gz IPDGGWZDUJLMBM-HMASQMOLSA-N -1 3 330.359 2.888 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1noc(-c2ccccc2)n1 ZINC000296123989 241077281 /nfs/dbraw/zinc/07/72/81/241077281.db2.gz FTCYTDLUNRTHTO-LBPRGKRZSA-N -1 3 348.428 2.657 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2ccc(OC[C@H]3CCCO3)cc2)c1[O-] ZINC000298691660 241155687 /nfs/dbraw/zinc/15/56/87/241155687.db2.gz YYDFBBBMXXHVEF-LYUVJKPTSA-N -1 3 342.395 2.896 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCCOCCc2ccccc2)c1[O-] ZINC000298759247 241157731 /nfs/dbraw/zinc/15/77/31/241157731.db2.gz BRVNDOSFFDHHGC-DEDYPNTBSA-N -1 3 328.412 2.656 20 30 EFEDHM CCN(CC)[C@@H](C/N=C/c1c([O-])c(C)ncc1CO)c1ccco1 ZINC000299304263 241171110 /nfs/dbraw/zinc/17/11/10/241171110.db2.gz ROQUKYKLMKTPTN-JJLFXSABSA-N -1 3 331.416 2.683 20 30 EFEDHM CCCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000354475748 242000035 /nfs/dbraw/zinc/00/00/35/242000035.db2.gz RLYWSBFFXAVVFD-MRXNPFEDSA-N -1 3 336.395 2.839 20 30 EFEDHM N#CC(=C([O-])c1ccnc(OCc2ccccc2)c1)c1ccncn1 ZINC000354468773 242000302 /nfs/dbraw/zinc/00/03/02/242000302.db2.gz POKHIYHBBHVULX-INIZCTEOSA-N -1 3 330.347 2.941 20 30 EFEDHM N#CC(=C([O-])c1ccc(CNC(=O)C2CCCC2)cc1)c1ccncn1 ZINC000354475177 242000794 /nfs/dbraw/zinc/00/07/94/242000794.db2.gz RERRZQYLTBDXKX-KRWDZBQOSA-N -1 3 348.406 2.773 20 30 EFEDHM C=CCN(CC=C)[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)C ZINC000356338974 242067893 /nfs/dbraw/zinc/06/78/93/242067893.db2.gz LITMGOLTXXBRRF-QGZVFWFLSA-N -1 3 347.415 2.729 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4nccnc4c3)nc1-2 ZINC000355240819 242023474 /nfs/dbraw/zinc/02/34/74/242023474.db2.gz PXJLRCNSNAUCGT-LBPRGKRZSA-N -1 3 328.335 2.700 20 30 EFEDHM N#CC[C@@H](CC(=O)N=c1cc(-c2cccnc2)[n-][nH]1)c1ccccc1 ZINC000359370199 242148909 /nfs/dbraw/zinc/14/89/09/242148909.db2.gz MKPJCJDAMRRYPT-HNNXBMFYSA-N -1 3 331.379 2.920 20 30 EFEDHM N#CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000357186871 242091274 /nfs/dbraw/zinc/09/12/74/242091274.db2.gz KOESYRIHARSUDR-UHFFFAOYSA-N -1 3 328.393 2.878 20 30 EFEDHM Cc1nc(-c2ccc(NC(=O)[C@H](C#N)c3ccccn3)cc2)cc(=O)[n-]1 ZINC000359916291 242172952 /nfs/dbraw/zinc/17/29/52/242172952.db2.gz ZWSUZXYIPZHHHV-OAHLLOKOSA-N -1 3 345.362 2.799 20 30 EFEDHM Cc1nc2ccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)cc2n1C ZINC000361719614 242232392 /nfs/dbraw/zinc/23/23/92/242232392.db2.gz DNLXWFJRZYZBPV-ZDUSSCGKSA-N -1 3 344.378 2.952 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(F)c(F)c1 ZINC000019679155 212054878 /nfs/dbraw/zinc/05/48/78/212054878.db2.gz YPPPATBYBMLMRF-UHFFFAOYSA-N -1 3 331.322 2.713 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)ccc1F ZINC000019678943 212054513 /nfs/dbraw/zinc/05/45/13/212054513.db2.gz WZCSHNNNVHRKFL-UHFFFAOYSA-N -1 3 331.322 2.713 20 30 EFEDHM CC(=O)c1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000019676877 212054011 /nfs/dbraw/zinc/05/40/11/212054011.db2.gz HKNPMKPWVNRNOX-UHFFFAOYSA-N -1 3 338.363 2.604 20 30 EFEDHM CCOc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)cc1Br ZINC000416966197 244940214 /nfs/dbraw/zinc/94/02/14/244940214.db2.gz VOYYGMXIYLVHMS-JTQLQIEISA-N -1 3 347.234 2.892 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422052064 246241279 /nfs/dbraw/zinc/24/12/79/246241279.db2.gz ZLGUGTFEDYVGAK-FZKQIMNGSA-N -1 3 337.391 2.582 20 30 EFEDHM Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)c(=O)[n-]1 ZINC000425329744 247045215 /nfs/dbraw/zinc/04/52/15/247045215.db2.gz WOJRKEOTNUUZSM-ZDUSSCGKSA-N -1 3 338.411 2.823 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000266055623 248066966 /nfs/dbraw/zinc/06/69/66/248066966.db2.gz CWSKMISQSPPYFM-APWZRJJASA-N -1 3 349.434 2.956 20 30 EFEDHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435424856 248239140 /nfs/dbraw/zinc/23/91/40/248239140.db2.gz BLPQGQCTULYGRJ-LLVKDONJSA-N -1 3 334.422 2.560 20 30 EFEDHM Cc1cccc2c(CC[N-]S(=O)(=O)c3ccc(C#N)s3)c[nH]c21 ZINC000435424096 248239288 /nfs/dbraw/zinc/23/92/88/248239288.db2.gz UCTQBEHRZGVARG-UHFFFAOYSA-N -1 3 345.449 2.931 20 30 EFEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C2CC2)n1 ZINC000435430224 248240264 /nfs/dbraw/zinc/24/02/64/248240264.db2.gz ZILBMBZFNFLURK-LBPRGKRZSA-N -1 3 339.467 2.814 20 30 EFEDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@H](C)[C@H]1OC ZINC000435431201 248240416 /nfs/dbraw/zinc/24/04/16/248240416.db2.gz CBUOFXDKSCZSKV-ZLKJLUDKSA-N -1 3 342.486 2.738 20 30 EFEDHM CCC1(CC)[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)[C@@H](C)[C@H]1OC ZINC000435431200 248241106 /nfs/dbraw/zinc/24/11/06/248241106.db2.gz CBUOFXDKSCZSKV-LERXQTSPSA-N -1 3 342.486 2.738 20 30 EFEDHM CCO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000435437584 248242071 /nfs/dbraw/zinc/24/20/71/248242071.db2.gz KLPNVYXRBOSAPI-CQSZACIVSA-N -1 3 336.438 2.676 20 30 EFEDHM C=C(C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000435439593 248242202 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CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C1CCOCC1 ZINC000443328555 250184868 /nfs/dbraw/zinc/18/48/68/250184868.db2.gz PVZQFZUYIZLNFC-CQSZACIVSA-N -1 3 342.848 2.695 20 30 EFEDHM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H](C)C1 ZINC000443250974 250176547 /nfs/dbraw/zinc/17/65/47/250176547.db2.gz WIWOUVPZEPIBGA-GDNZZTSVSA-N -1 3 337.401 2.569 20 30 EFEDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000443306274 250182283 /nfs/dbraw/zinc/18/22/83/250182283.db2.gz FQJGKXFVDMGQBD-RDTXWAMCSA-N -1 3 335.407 2.829 20 30 EFEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)sc1C ZINC000443313888 250183225 /nfs/dbraw/zinc/18/32/25/250183225.db2.gz YJKUGSGNQITFCS-UHFFFAOYSA-N -1 3 341.845 2.764 20 30 EFEDHM C=CCN(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000444358716 250292183 /nfs/dbraw/zinc/29/21/83/250292183.db2.gz URGGYBVQKSEPDU-UHFFFAOYSA-N -1 3 326.274 2.685 20 30 EFEDHM N#Cc1cnccc1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC000447417469 250561458 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N#CCCCOc1cccnc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000339116944 474942481 /nfs/dbraw/zinc/94/24/81/474942481.db2.gz RTIKSRDKUSVNOB-UHFFFAOYSA-N -1 3 337.339 3.000 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1CC(c2ccccc2Cl)C1 ZINC000339132126 474960667 /nfs/dbraw/zinc/96/06/67/474960667.db2.gz YKFALBLTWCSLNY-UHFFFAOYSA-N -1 3 347.827 2.831 20 30 EFEDHM COCCC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCC1 ZINC000268408209 474963605 /nfs/dbraw/zinc/96/36/05/474963605.db2.gz GOFRTADYJDMERM-UHFFFAOYSA-N -1 3 345.443 2.531 20 30 EFEDHM C=C[C@@](C)(O)CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000279223834 474965784 /nfs/dbraw/zinc/96/57/84/474965784.db2.gz OALDHKYPDPKHOM-GOSISDBHSA-N -1 3 327.384 2.677 20 30 EFEDHM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000273567650 474966518 /nfs/dbraw/zinc/96/65/18/474966518.db2.gz NYKILPUZYHSTCZ-NWDGAFQWSA-N -1 3 342.848 2.695 20 30 EFEDHM C#CCn1ccc(CN(CC)C(=O)c2c[n-]c3c(C)cccc3c2=O)n1 ZINC000279705165 474987413 /nfs/dbraw/zinc/98/74/13/474987413.db2.gz 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C=CCCCCCCNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000286851580 475082099 /nfs/dbraw/zinc/08/20/99/475082099.db2.gz BLBKHKWDNDNKLJ-LJQANCHMSA-N -1 3 343.427 2.608 20 30 EFEDHM C[C@@H](NC(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000286820420 475083038 /nfs/dbraw/zinc/08/30/38/475083038.db2.gz IUZHUGDPVVCPCD-CYBMUJFWSA-N -1 3 347.440 2.559 20 30 EFEDHM COc1ccccc1-c1nc(NC(=O)[C@@]2(C#N)CC23CCCC3)n[n-]1 ZINC000294835809 475085380 /nfs/dbraw/zinc/08/53/80/475085380.db2.gz LYMXHOCBMXBMRA-SFHVURJKSA-N -1 3 337.383 2.893 20 30 EFEDHM C=CCCCCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000286899073 475086018 /nfs/dbraw/zinc/08/60/18/475086018.db2.gz FESWFAGXDOSINZ-ZDUSSCGKSA-N -1 3 344.502 2.668 20 30 EFEDHM Cc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cn1 ZINC000273873672 475094412 /nfs/dbraw/zinc/09/44/12/475094412.db2.gz UAMGBEFEGQXZNM-UHFFFAOYSA-N -1 3 335.367 2.814 20 30 EFEDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000613922394 480147360 /nfs/dbraw/zinc/14/73/60/480147360.db2.gz OHNRONGTVRZFHG-LBPRGKRZSA-N -1 3 325.434 2.746 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)F)C(C)C ZINC000269076665 475163661 /nfs/dbraw/zinc/16/36/61/475163661.db2.gz HILDRNGBKPUJBQ-UHFFFAOYSA-N -1 3 325.359 2.710 20 30 EFEDHM COC1(C[N-]S(=O)(=O)CC2(C#N)CCCC2)CCC(C)CC1 ZINC000330171877 475207496 /nfs/dbraw/zinc/20/74/96/475207496.db2.gz XPQXSUUKXWQOBK-UHFFFAOYSA-N -1 3 328.478 2.585 20 30 EFEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000341658073 475209880 /nfs/dbraw/zinc/20/98/80/475209880.db2.gz LVHAQUUXAOJSSO-CYBMUJFWSA-N -1 3 332.363 2.776 20 30 EFEDHM C[C@]1(CNC(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)CCOC1 ZINC000330233231 475215688 /nfs/dbraw/zinc/21/56/88/475215688.db2.gz SAFBRFFSXPSVSN-SJORKVTESA-N -1 3 331.372 2.517 20 30 EFEDHM CC(C)CSCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000339457418 475227158 /nfs/dbraw/zinc/22/71/58/475227158.db2.gz KXYCOBMSMXAOBT-UHFFFAOYSA-N -1 3 332.878 2.879 20 30 EFEDHM Cc1ccccc1-c1cc(=NC(=O)Cc2c(F)cccc2C#N)[nH][n-]1 ZINC000354539370 475232725 /nfs/dbraw/zinc/23/27/25/475232725.db2.gz MYYSIIDTDWVUOS-UHFFFAOYSA-N -1 3 334.354 2.999 20 30 EFEDHM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)Nc1cc(F)ccc1[O-] ZINC000330496361 475249415 /nfs/dbraw/zinc/24/94/15/475249415.db2.gz WQMFSBJWDFJTIP-ABAIWWIYSA-N -1 3 337.395 2.894 20 30 EFEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000345536402 475250163 /nfs/dbraw/zinc/25/01/63/475250163.db2.gz HDJSUKAQEGAQHK-MNOVXSKESA-N -1 3 333.837 2.607 20 30 EFEDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000330768850 475276325 /nfs/dbraw/zinc/27/63/25/475276325.db2.gz YRVCFFYSXZBZOZ-JSGCOSHPSA-N -1 3 342.848 2.694 20 30 EFEDHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](SC)C(C)(C)C)c(C)o1 ZINC000330826120 475280693 /nfs/dbraw/zinc/28/06/93/475280693.db2.gz OWPNNDGENBGMNX-NSHDSACASA-N -1 3 348.490 2.578 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2noc3ccccc23)c(Cl)c1 ZINC000347390567 475288907 /nfs/dbraw/zinc/28/89/07/475288907.db2.gz KOTZXYXWQKDXBF-UHFFFAOYSA-N -1 3 347.783 2.831 20 30 EFEDHM CCCCNC(=O)C1(NC(=O)c2csc(=O)[n-]2)CCCCC1 ZINC000330980680 475298334 /nfs/dbraw/zinc/29/83/34/475298334.db2.gz NTSSWSXNDXAPQO-UHFFFAOYSA-N -1 3 325.434 2.773 20 30 EFEDHM CC(=O)c1ccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)cc1[O-] ZINC000331226477 475325264 /nfs/dbraw/zinc/32/52/64/475325264.db2.gz CPNAATRUPUTUIF-UHFFFAOYSA-N -1 3 346.427 2.937 20 30 EFEDHM COc1cccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)c1[O-] ZINC000331232981 475326370 /nfs/dbraw/zinc/32/63/70/475326370.db2.gz JMKUBKOIDTVROW-JTQLQIEISA-N -1 3 332.322 2.732 20 30 EFEDHM Cc1ccc(C(=O)NCCC(=O)N2CCCC(C)(C)[C@@H]2C#N)c([O-])c1 ZINC000331250004 475330385 /nfs/dbraw/zinc/33/03/85/475330385.db2.gz WGBJOUIHNFQQDP-INIZCTEOSA-N -1 3 343.427 2.936 20 30 EFEDHM Cc1nc(-c2ccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)cc2)n[nH]1 ZINC000347806352 475345081 /nfs/dbraw/zinc/34/50/81/475345081.db2.gz NALMXGNSXYVVLF-HNNXBMFYSA-N -1 3 332.367 2.677 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cccc(-n4cccn4)n3)nc21 ZINC000347963464 475360802 /nfs/dbraw/zinc/36/08/02/475360802.db2.gz QPYKBUKLHUFMKT-CYBMUJFWSA-N -1 3 342.362 2.942 20 30 EFEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C#N)C(C)C)s1 ZINC000345683261 475364202 /nfs/dbraw/zinc/36/42/02/475364202.db2.gz ZWZCIKHGUDANSM-VIFPVBQESA-N -1 3 337.264 2.646 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3cccc(Cl)c32)CCCC1 ZINC000341893458 475389063 /nfs/dbraw/zinc/38/90/63/475389063.db2.gz WDCWIEVYURXVJO-GFCCVEGCSA-N -1 3 340.832 2.777 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1c(F)cncc1F ZINC000352533448 475389397 /nfs/dbraw/zinc/38/93/97/475389397.db2.gz SEAGJRZNGQWBDB-LLVKDONJSA-N -1 3 343.399 2.814 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1cc(Cl)ccc1F ZINC000348124176 475408990 /nfs/dbraw/zinc/40/89/90/475408990.db2.gz STCBFASJOPKKGP-UHFFFAOYSA-N -1 3 342.783 2.693 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000348133606 475416566 /nfs/dbraw/zinc/41/65/66/475416566.db2.gz WLUNKHCZGMDHOM-LBPRGKRZSA-N -1 3 346.456 2.702 20 30 EFEDHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000352574202 475428296 /nfs/dbraw/zinc/42/82/96/475428296.db2.gz DIDQMJXAVHEEHM-UHFFFAOYSA-N -1 3 335.454 2.579 20 30 EFEDHM C=CCOc1cccnc1C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000342126943 475561091 /nfs/dbraw/zinc/56/10/91/475561091.db2.gz LLIAGFJGPRGMGB-UHFFFAOYSA-N -1 3 342.351 2.781 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cncs1 ZINC000348289479 475566385 /nfs/dbraw/zinc/56/63/85/475566385.db2.gz XTRZATOCEKUDBJ-NSHDSACASA-N -1 3 330.413 2.542 20 30 EFEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccccc1Br ZINC000342492165 475606864 /nfs/dbraw/zinc/60/68/64/475606864.db2.gz OLABZCJHLKHANC-GFCCVEGCSA-N -1 3 345.262 2.807 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(=O)NC(C)C)cc2)nc(C)n1 ZINC000348435703 475665490 /nfs/dbraw/zinc/66/54/90/475665490.db2.gz LYPHXZNQKKRBIB-MRXNPFEDSA-N -1 3 336.395 2.722 20 30 EFEDHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1(C)C ZINC000342986127 475675311 /nfs/dbraw/zinc/67/53/11/475675311.db2.gz ASTHIWLATPBYEE-OWYVNGRQSA-N -1 3 342.848 2.549 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000342987133 475675650 /nfs/dbraw/zinc/67/56/50/475675650.db2.gz DTBLGYFWLUACFK-SNVBAGLBSA-N -1 3 347.458 2.566 20 30 EFEDHM C=CCN(CCc1ccco1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000353107975 475691418 /nfs/dbraw/zinc/69/14/18/475691418.db2.gz DREGGQRHGXCZIW-UHFFFAOYSA-N -1 3 348.424 2.522 20 30 EFEDHM CC(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000340042051 475710926 /nfs/dbraw/zinc/71/09/26/475710926.db2.gz BIQDVSQVFNKBFO-UHFFFAOYSA-N -1 3 331.235 2.645 20 30 EFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000340219551 475864039 /nfs/dbraw/zinc/86/40/39/475864039.db2.gz HTUNLJADSCAPSV-UHFFFAOYSA-N -1 3 343.408 2.685 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000343254408 475893127 /nfs/dbraw/zinc/89/31/27/475893127.db2.gz VDYFBKCXUJRTOY-NSHDSACASA-N -1 3 328.409 2.672 20 30 EFEDHM CC(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnn(C)n3)sc2C1 ZINC000297810560 475894112 /nfs/dbraw/zinc/89/41/12/475894112.db2.gz PEZMTMBJFBOLKN-JTQLQIEISA-N -1 3 329.429 2.761 20 30 EFEDHM N#CCc1cccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c1 ZINC000338432787 475901055 /nfs/dbraw/zinc/90/10/55/475901055.db2.gz XWKOGRCAPWCFNH-UHFFFAOYSA-N -1 3 347.334 2.725 20 30 EFEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2cn[nH]c2cc1C ZINC000358798635 475947489 /nfs/dbraw/zinc/94/74/89/475947489.db2.gz HPOLSYIESJMHMG-UHFFFAOYSA-N -1 3 342.380 2.552 20 30 EFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000355504353 475990990 /nfs/dbraw/zinc/99/09/90/475990990.db2.gz FWTQJKHKTMNXNH-UHFFFAOYSA-N -1 3 345.811 2.604 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCNc2ccccc21 ZINC000353468273 475994581 /nfs/dbraw/zinc/99/45/81/475994581.db2.gz OCTWZABDDHRBPT-UHFFFAOYSA-N -1 3 336.395 2.667 20 30 EFEDHM C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000362097689 475998176 /nfs/dbraw/zinc/99/81/76/475998176.db2.gz NDDRSONVIVWVCJ-SSDOTTSWSA-N -1 3 326.727 2.831 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc2c1OCCO2 ZINC000343861786 476124102 /nfs/dbraw/zinc/12/41/02/476124102.db2.gz FKWQPIHPKVZLDU-ZDUSSCGKSA-N -1 3 333.347 2.835 20 30 EFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)s1 ZINC000336849668 476141501 /nfs/dbraw/zinc/14/15/01/476141501.db2.gz SMEDWNLGIYPWCG-UHFFFAOYSA-N -1 3 341.845 2.764 20 30 EFEDHM N#Cc1cc(Cl)ccc1NCC[N-]S(=O)(=O)c1cccs1 ZINC000301765207 476176731 /nfs/dbraw/zinc/17/67/31/476176731.db2.gz HRGKCOAZGDKHNU-UHFFFAOYSA-N -1 3 341.845 2.664 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccco3)no2)ccc1F ZINC000340648455 476179793 /nfs/dbraw/zinc/17/97/93/476179793.db2.gz BFSDMCAHHZBNAR-UHFFFAOYSA-N -1 3 349.343 2.600 20 30 EFEDHM N#Cc1c(F)ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)c1Cl ZINC000340700911 476219037 /nfs/dbraw/zinc/21/90/37/476219037.db2.gz JGHRILFMDAYROL-UHFFFAOYSA-N -1 3 329.718 2.846 20 30 EFEDHM N#Cc1cccc(CS(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c1 ZINC000353738938 476230999 /nfs/dbraw/zinc/23/09/99/476230999.db2.gz MNODYRGVBFSFLE-HNNXBMFYSA-N -1 3 348.811 2.765 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4c(c3)ncn4C)nc1-2 ZINC000347311422 476251178 /nfs/dbraw/zinc/25/11/78/476251178.db2.gz PNFPFBLBYUGZJK-GFCCVEGCSA-N -1 3 330.351 2.643 20 30 EFEDHM Cc1nc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cs1 ZINC000351233127 476372451 /nfs/dbraw/zinc/37/24/51/476372451.db2.gz SHXMBAVXRMZWFV-UHFFFAOYSA-N -1 3 341.396 2.876 20 30 EFEDHM Cc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c([O-])c1O ZINC000373308890 476393988 /nfs/dbraw/zinc/39/39/88/476393988.db2.gz CAAGSMRYEPTBAA-UHFFFAOYSA-N -1 3 348.362 2.598 20 30 EFEDHM C=CCN(CC=C)C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000351531488 476478747 /nfs/dbraw/zinc/47/87/47/476478747.db2.gz XGJBTBBOCLZBFK-UHFFFAOYSA-N -1 3 335.205 2.725 20 30 EFEDHM C=CCN(C(=O)N=c1cc2ccc(Br)cn2[n-]1)C1CC1 ZINC000351531273 476478838 /nfs/dbraw/zinc/47/88/38/476478838.db2.gz WECCYZCLYKPCJR-UHFFFAOYSA-N -1 3 335.205 2.701 20 30 EFEDHM C=CCN=c1[n-]nc(SCCN(C)Cc2ccc(F)cc2)s1 ZINC000357724444 476560701 /nfs/dbraw/zinc/56/07/01/476560701.db2.gz AGEYEDDZJBDSSG-UHFFFAOYSA-N -1 3 338.477 2.921 20 30 EFEDHM N#CC(=C([O-])c1ccc(I)cc1)c1ccncn1 ZINC000354471723 476678834 /nfs/dbraw/zinc/67/88/34/476678834.db2.gz TYDKCLSCRFUWDH-NSHDSACASA-N -1 3 349.131 2.571 20 30 EFEDHM Cc1cc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)ccc1[O-] ZINC000354391304 476631807 /nfs/dbraw/zinc/63/18/07/476631807.db2.gz GKFRULNYSWVOTI-UHFFFAOYSA-N -1 3 339.370 2.674 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)[n-]c(=O)n1 ZINC000354398291 476636633 /nfs/dbraw/zinc/63/66/33/476636633.db2.gz TWCYRUDJVLZXCO-NSHDSACASA-N -1 3 337.166 2.792 20 30 EFEDHM N#CC(=C([O-])c1ccc(OCc2ccccn2)cc1)c1ccncn1 ZINC000354471827 476679061 /nfs/dbraw/zinc/67/90/61/476679061.db2.gz UGJMBVDJXPMYPF-KRWDZBQOSA-N -1 3 330.347 2.941 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)Cc1c(F)cccc1Cl ZINC000451906080 476715688 /nfs/dbraw/zinc/71/56/88/476715688.db2.gz SNKLNHOOIMDVNS-KGLIPLIRSA-N -1 3 333.812 2.632 20 30 EFEDHM N#CCC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000429988385 476731460 /nfs/dbraw/zinc/73/14/60/476731460.db2.gz XUJVGHXGPAVLBU-UHFFFAOYSA-N -1 3 336.310 2.817 20 30 EFEDHM N#CCCn1ncc(C(=O)Nc2ncccc2[O-])c1-c1ccccc1 ZINC000430088433 476752814 /nfs/dbraw/zinc/75/28/14/476752814.db2.gz WDXKZDUERWHXBK-UHFFFAOYSA-N -1 3 333.351 2.817 20 30 EFEDHM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC000445714313 476762172 /nfs/dbraw/zinc/76/21/72/476762172.db2.gz PTGCELANADEANW-UHFFFAOYSA-N -1 3 346.408 2.820 20 30 EFEDHM C=CCC[C@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)C(=O)OCC ZINC000451997182 476767837 /nfs/dbraw/zinc/76/78/37/476767837.db2.gz QVMJSPXHWYMTGW-INIZCTEOSA-N -1 3 339.457 2.566 20 30 EFEDHM N#Cc1cnccc1[N-]C(=O)c1c(F)cc(Br)cc1F ZINC000445790852 476768821 /nfs/dbraw/zinc/76/88/21/476768821.db2.gz OYJYGQOJKWOAGU-UHFFFAOYSA-N -1 3 338.111 2.668 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC000457162073 476907768 /nfs/dbraw/zinc/90/77/68/476907768.db2.gz RKRSEQPIJOLIOS-CQSZACIVSA-N -1 3 345.443 2.530 20 30 EFEDHM COCCn1cc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)nn1 ZINC000415153373 476909415 /nfs/dbraw/zinc/90/94/15/476909415.db2.gz IXPQFTHZEALORR-GFCCVEGCSA-N -1 3 345.428 2.571 20 30 EFEDHM COCCN(CC#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000457209654 476927323 /nfs/dbraw/zinc/92/73/23/476927323.db2.gz ZKJQAGUUVWYCPT-UHFFFAOYSA-N -1 3 338.407 2.790 20 30 EFEDHM N#CCC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000430897724 476931414 /nfs/dbraw/zinc/93/14/14/476931414.db2.gz QHBDRMLHKLSJTN-UHFFFAOYSA-N -1 3 338.205 2.648 20 30 EFEDHM C=CCCCC(=O)NCc1cccc(-c2nnc(C(=O)OCC)[n-]2)c1 ZINC000447684387 477037360 /nfs/dbraw/zinc/03/73/60/477037360.db2.gz YYAKRLYIMHPRJM-UHFFFAOYSA-N -1 3 342.399 2.621 20 30 EFEDHM C=CCCCC(=O)NCc1cccc(-c2n[n-]c(C(=O)OCC)n2)c1 ZINC000447684387 477037361 /nfs/dbraw/zinc/03/73/61/477037361.db2.gz YYAKRLYIMHPRJM-UHFFFAOYSA-N -1 3 342.399 2.621 20 30 EFEDHM CCc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](OC)C3)co1 ZINC000410975102 477085340 /nfs/dbraw/zinc/08/53/40/477085340.db2.gz XEPDMOWTMCPFLY-SECBINFHSA-N -1 3 331.397 2.926 20 30 EFEDHM C[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416392366 477158182 /nfs/dbraw/zinc/15/81/82/477158182.db2.gz SCSQGRRRWHDMHT-SECBINFHSA-N -1 3 343.246 2.788 20 30 EFEDHM C=CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000416468412 477181667 /nfs/dbraw/zinc/18/16/67/477181667.db2.gz YTGGKNIAIXEDDX-UHFFFAOYSA-N -1 3 331.821 2.761 20 30 EFEDHM C[C@@H](C#N)S(=O)(=O)[N-]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000416480696 477184698 /nfs/dbraw/zinc/18/46/98/477184698.db2.gz SIGQCAUONNOHHN-NHYWBVRUSA-N -1 3 342.848 2.639 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000432259709 477184644 /nfs/dbraw/zinc/18/46/44/477184644.db2.gz PRXPLILGNNPYRW-UHFFFAOYSA-N -1 3 330.340 2.922 20 30 EFEDHM CC/C=C\C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416492374 477186306 /nfs/dbraw/zinc/18/63/06/477186306.db2.gz CYFUVGFWLSAEQJ-ARJAWSKDSA-N -1 3 329.219 2.565 20 30 EFEDHM COC1(C[N-]S(=O)(=O)[C@@H](C)C#N)CCC(c2ccccc2)CC1 ZINC000416486090 477186461 /nfs/dbraw/zinc/18/64/61/477186461.db2.gz HPBDMBXBJLWTIN-OOHWJJMZSA-N -1 3 336.457 2.561 20 30 EFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000416586347 477228740 /nfs/dbraw/zinc/22/87/40/477228740.db2.gz OSIOQJXPQNTTSD-QWHCGFSZSA-N -1 3 349.412 2.571 20 30 EFEDHM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000416599062 477234275 /nfs/dbraw/zinc/23/42/75/477234275.db2.gz UEWTZXHHMSXGLB-UHFFFAOYSA-N -1 3 347.415 2.868 20 30 EFEDHM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CC1 ZINC000416599563 477234476 /nfs/dbraw/zinc/23/44/76/477234476.db2.gz PINGDQGIDGNRQK-MEBBXXQBSA-N -1 3 342.848 2.694 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cccnc1 ZINC000416631233 477244040 /nfs/dbraw/zinc/24/40/40/477244040.db2.gz KRDUQIQSMURWJV-UHFFFAOYSA-N -1 3 349.843 2.863 20 30 EFEDHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCc2cc(C#N)ccc21 ZINC000416656213 477252189 /nfs/dbraw/zinc/25/21/89/477252189.db2.gz BUHIHBHTSQZCTI-HNNXBMFYSA-N -1 3 331.397 2.519 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]CC2(C#N)CCC2)c(Cl)c1Cl ZINC000416673633 477257050 /nfs/dbraw/zinc/25/70/50/477257050.db2.gz UIGFKQUOVXWFSG-UHFFFAOYSA-N -1 3 349.239 2.974 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)cc2F)CCC1 ZINC000416671511 477257528 /nfs/dbraw/zinc/25/75/28/477257528.db2.gz OPAJEQHBFNULIG-UHFFFAOYSA-N -1 3 347.209 2.560 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc2[nH]ncc21 ZINC000435736347 477362736 /nfs/dbraw/zinc/36/27/36/477362736.db2.gz WSEXZAKNLMCMER-UHFFFAOYSA-N -1 3 326.381 2.852 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)s1 ZINC000367174918 477376128 /nfs/dbraw/zinc/37/61/28/477376128.db2.gz UGMRWYDUHNHPTC-LLVKDONJSA-N -1 3 340.813 2.685 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)s1 ZINC000367174919 477376497 /nfs/dbraw/zinc/37/64/97/477376497.db2.gz UGMRWYDUHNHPTC-NSHDSACASA-N -1 3 340.813 2.685 20 30 EFEDHM CCCc1c([N-]S(=O)(=O)C2CC2)cnn1-c1cccc(C#N)c1 ZINC000376652814 477446831 /nfs/dbraw/zinc/44/68/31/477446831.db2.gz RUKLWTGAKGZXMH-UHFFFAOYSA-N -1 3 330.413 2.601 20 30 EFEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(OC)c(Br)c1 ZINC000417623480 477460315 /nfs/dbraw/zinc/46/03/15/477460315.db2.gz JAFQXDGLBBWIFO-NSHDSACASA-N -1 3 328.206 2.967 20 30 EFEDHM C=CCC(C)(C)c1noc(CCNC(=O)c2ccc(C)cc2[O-])n1 ZINC000436538844 477506536 /nfs/dbraw/zinc/50/65/36/477506536.db2.gz LRIUMYCHEXZZLU-UHFFFAOYSA-N -1 3 329.400 2.910 20 30 EFEDHM C=C[C@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436554388 477513306 /nfs/dbraw/zinc/51/33/06/477513306.db2.gz HDSCQTIWMNKNLN-KBXCAEBGSA-N -1 3 338.407 2.944 20 30 EFEDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000367449979 477516983 /nfs/dbraw/zinc/51/69/83/477516983.db2.gz FZKABHYWMOMSSF-GTNSWQLSSA-N -1 3 346.383 2.639 20 30 EFEDHM N#CC1(CNC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000419489586 477519092 /nfs/dbraw/zinc/51/90/92/477519092.db2.gz IPSRTUGTNKVTIC-UHFFFAOYSA-N -1 3 338.205 2.648 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(OC)cc1[O-] ZINC000436631218 477538685 /nfs/dbraw/zinc/53/86/85/477538685.db2.gz SUXZXAWWUBBBQE-UHFFFAOYSA-N -1 3 331.368 2.705 20 30 EFEDHM C=CC(C)(C)CNC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000455254186 477563247 /nfs/dbraw/zinc/56/32/47/477563247.db2.gz WRSYONBGJBSVAL-UHFFFAOYSA-N -1 3 337.221 2.852 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000425188441 477664286 /nfs/dbraw/zinc/66/42/86/477664286.db2.gz JEELDAXCLQZDCF-WCQYABFASA-N -1 3 333.438 2.781 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c(Cl)c1Cl ZINC000425191762 477665379 /nfs/dbraw/zinc/66/53/79/477665379.db2.gz XOODACQVOUUWTD-DTWKUNHWSA-N -1 3 349.239 2.973 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(F)F ZINC000451086417 477815776 /nfs/dbraw/zinc/81/57/76/477815776.db2.gz UWNMHGDSWOFMLC-JTQLQIEISA-N -1 3 342.289 2.899 20 30 EFEDHM CC(C)(C)c1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428261659 477855764 /nfs/dbraw/zinc/85/57/64/477855764.db2.gz DHHGWCAQXHKAOL-UHFFFAOYSA-N -1 3 329.425 2.729 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000428270254 477858309 /nfs/dbraw/zinc/85/83/09/477858309.db2.gz MEOYXVMYWNDGIT-UHFFFAOYSA-N -1 3 333.800 2.574 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1noc(-c2ccccc2)n1 ZINC000558428976 477867582 /nfs/dbraw/zinc/86/75/82/477867582.db2.gz FNUKMHKHCBVRDM-GFCCVEGCSA-N -1 3 348.428 2.657 20 30 EFEDHM C[C@H]1CCCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428371234 477877848 /nfs/dbraw/zinc/87/78/48/477877848.db2.gz DHWIPVZKNYNPBR-UGSOOPFHSA-N -1 3 341.436 2.945 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000428389944 477884346 /nfs/dbraw/zinc/88/43/46/477884346.db2.gz NCFIHQYHTMHOFQ-GHMZBOCLSA-N -1 3 347.362 2.600 20 30 EFEDHM Cc1cc([C@H]([N-]S(=O)(=O)c2cccnc2C#N)C2CC2)ccc1F ZINC000428393782 477886509 /nfs/dbraw/zinc/88/65/09/477886509.db2.gz ZYWBBRMUFZERDS-QGZVFWFLSA-N -1 3 345.399 2.830 20 30 EFEDHM CC(C)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428410564 477888091 /nfs/dbraw/zinc/88/80/91/477888091.db2.gz FUPTXJGLCVJVSF-OAHLLOKOSA-N -1 3 347.415 2.638 20 30 EFEDHM N#CC(=C([O-])c1ccc(=O)n(-c2cccc(F)c2)c1)c1ccccn1 ZINC000531200452 477899167 /nfs/dbraw/zinc/89/91/67/477899167.db2.gz NOUBUAFMMMIJGZ-MRXNPFEDSA-N -1 3 333.322 2.862 20 30 EFEDHM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531687310 477909311 /nfs/dbraw/zinc/90/93/11/477909311.db2.gz ZPQIYKKFDCEELB-LSDHHAIUSA-N -1 3 340.420 2.569 20 30 EFEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c2)o1 ZINC000532123889 477919306 /nfs/dbraw/zinc/91/93/06/477919306.db2.gz GKMZKTJMKRXAHH-OAHLLOKOSA-N -1 3 333.351 2.942 20 30 EFEDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)o1 ZINC000532761828 477985721 /nfs/dbraw/zinc/98/57/21/477985721.db2.gz XYLFQVTVHCUPTH-QMTHXVAHSA-N -1 3 334.372 2.892 20 30 EFEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000532765776 477985868 /nfs/dbraw/zinc/98/58/68/477985868.db2.gz YTCFQLHEALXYPQ-SECBINFHSA-N -1 3 335.198 2.559 20 30 EFEDHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)o1 ZINC000451386493 477988309 /nfs/dbraw/zinc/98/83/09/477988309.db2.gz WVBKCVFXVDGTLH-SNVBAGLBSA-N -1 3 339.804 2.742 20 30 EFEDHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000516806394 477989448 /nfs/dbraw/zinc/98/94/48/477989448.db2.gz GSFWXMCODYUYON-BBRMVZONSA-N -1 3 334.441 2.902 20 30 EFEDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000516806400 477989586 /nfs/dbraw/zinc/98/95/86/477989586.db2.gz GSFWXMCODYUYON-XJKSGUPXSA-N -1 3 334.441 2.902 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000451394716 477990976 /nfs/dbraw/zinc/99/09/76/477990976.db2.gz TWYCWCHIJOJTSR-BBRMVZONSA-N -1 3 329.400 2.673 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000451394716 477990981 /nfs/dbraw/zinc/99/09/81/477990981.db2.gz TWYCWCHIJOJTSR-BBRMVZONSA-N -1 3 329.400 2.673 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)C(C)(C)C(=O)N3)nc(C)n1 ZINC000533180925 478044231 /nfs/dbraw/zinc/04/42/31/478044231.db2.gz REIWHYFIMGNPQN-CYBMUJFWSA-N -1 3 334.379 2.813 20 30 EFEDHM C=CCC[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000533261960 478058291 /nfs/dbraw/zinc/05/82/91/478058291.db2.gz JKCHJUGCDNSIAZ-GOSISDBHSA-N -1 3 338.407 2.946 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(F)F ZINC000451627181 478133147 /nfs/dbraw/zinc/13/31/47/478133147.db2.gz XESXHRHTQVGYON-VIFPVBQESA-N -1 3 342.289 2.899 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-n4cccn4)cc3)nc1-2 ZINC000429576807 478158539 /nfs/dbraw/zinc/15/85/39/478158539.db2.gz HQZCEWMEFMQBQX-OAHLLOKOSA-N -1 3 342.362 2.942 20 30 EFEDHM C=C(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000451802869 478209160 /nfs/dbraw/zinc/20/91/60/478209160.db2.gz NVTWTOYADOLSRV-UHFFFAOYSA-N -1 3 349.206 2.602 20 30 EFEDHM C=C(C)CC[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000451804604 478209747 /nfs/dbraw/zinc/20/97/47/478209747.db2.gz VSNIXUSMFDGURV-UHFFFAOYSA-N -1 3 327.299 2.969 20 30 EFEDHM Cc1cccnc1CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451811026 478212017 /nfs/dbraw/zinc/21/20/17/478212017.db2.gz QJRYRQKNEZNOLY-UHFFFAOYSA-N -1 3 349.843 2.826 20 30 EFEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000451810080 478212608 /nfs/dbraw/zinc/21/26/08/478212608.db2.gz KLPJWHIVGKOFES-UHFFFAOYSA-N -1 3 348.262 2.948 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCC1 ZINC000451812157 478213006 /nfs/dbraw/zinc/21/30/06/478213006.db2.gz OKRZCLVCZKFLQT-UHFFFAOYSA-N -1 3 337.401 2.571 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000562358261 478237961 /nfs/dbraw/zinc/23/79/61/478237961.db2.gz OAAQVZGCGJPLRI-CVEARBPZSA-N -1 3 341.436 2.643 20 30 EFEDHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CC(C)(C)CC#N)CCCC1 ZINC000562544229 478265721 /nfs/dbraw/zinc/26/57/21/478265721.db2.gz 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ZINC000581649575 478409206 /nfs/dbraw/zinc/40/92/06/478409206.db2.gz HPYXDVCOZVQELU-MRVPVSSYSA-N -1 3 348.288 2.509 20 30 EFEDHM N#C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1cccc(C(F)(F)F)c1 ZINC000527357208 478423898 /nfs/dbraw/zinc/42/38/98/478423898.db2.gz PYMIYJYNNQKIJV-CYBMUJFWSA-N -1 3 345.284 2.971 20 30 EFEDHM N#C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1cccc(C(F)(F)F)c1 ZINC000527357208 478423906 /nfs/dbraw/zinc/42/39/06/478423906.db2.gz PYMIYJYNNQKIJV-CYBMUJFWSA-N -1 3 345.284 2.971 20 30 EFEDHM N#C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(C(F)(F)F)c1 ZINC000527357208 478423913 /nfs/dbraw/zinc/42/39/13/478423913.db2.gz PYMIYJYNNQKIJV-CYBMUJFWSA-N -1 3 345.284 2.971 20 30 EFEDHM C#C[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1F ZINC000491178595 478461158 /nfs/dbraw/zinc/46/11/58/478461158.db2.gz AGXONKNWJUVMQL-OAHLLOKOSA-N -1 3 347.777 2.625 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C2CCC2)C1 ZINC000591125542 478471641 /nfs/dbraw/zinc/47/16/41/478471641.db2.gz AZSCFEBMRLBMBQ-OAHLLOKOSA-N 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CN(CCc1ccccc1)[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000598195778 478699644 /nfs/dbraw/zinc/69/96/44/478699644.db2.gz SAPURPMIFIPRJI-IBGZPJMESA-N -1 3 349.434 2.653 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000595400682 478763161 /nfs/dbraw/zinc/76/31/61/478763161.db2.gz ZKNQNFWZAGLQRU-UHFFFAOYSA-N -1 3 328.390 2.627 20 30 EFEDHM C=C[C@@](C)(CC)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000564610915 478768458 /nfs/dbraw/zinc/76/84/58/478768458.db2.gz QJQQCHZDCCJKPW-ZWKOTPCHSA-N -1 3 340.383 2.645 20 30 EFEDHM N#CCC1CCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)CC1 ZINC000543807896 478788498 /nfs/dbraw/zinc/78/84/98/478788498.db2.gz QBLOJOXZCCIMRP-UHFFFAOYSA-N -1 3 348.410 2.647 20 30 EFEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)s1 ZINC000601356935 478800493 /nfs/dbraw/zinc/80/04/93/478800493.db2.gz IYNPXCNAEBOTHP-UHFFFAOYSA-N -1 3 339.417 2.558 20 30 EFEDHM Cc1nc(S(=O)(=O)[N-]CC(C)(C)C#N)c(-c2ccccc2)s1 ZINC000601387810 478814665 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/nfs/dbraw/zinc/28/53/60/479285360.db2.gz CQEOWTBMGOMFHS-QMMMGPOBSA-N -1 3 337.264 2.727 20 30 EFEDHM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000599511390 479317502 /nfs/dbraw/zinc/31/75/02/479317502.db2.gz LVTSGGVUDHZGOQ-HAQNSBGRSA-N -1 3 336.438 2.537 20 30 EFEDHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H](C#N)CC)c(F)cc1F ZINC000593444328 479343811 /nfs/dbraw/zinc/34/38/11/479343811.db2.gz AAKYPLRNUPMFHS-SECBINFHSA-N -1 3 345.371 2.605 20 30 EFEDHM CCOC(=O)c1ncc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[n-]1 ZINC000586811823 479359024 /nfs/dbraw/zinc/35/90/24/479359024.db2.gz PTSDAQNARIKVNB-UHFFFAOYSA-N -1 3 344.346 2.513 20 30 EFEDHM CCOC(=O)c1nc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c[n-]1 ZINC000586811823 479359028 /nfs/dbraw/zinc/35/90/28/479359028.db2.gz PTSDAQNARIKVNB-UHFFFAOYSA-N -1 3 344.346 2.513 20 30 EFEDHM CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000603420339 479379965 /nfs/dbraw/zinc/37/99/65/479379965.db2.gz SBPVCDWGGMBZQL-UONOGXRCSA-N -1 3 328.821 2.911 20 30 EFEDHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(C#N)oc2C)c1[O-] ZINC000588099385 479394839 /nfs/dbraw/zinc/39/48/39/479394839.db2.gz SKKNOGMSTULGDN-UHFFFAOYSA-N -1 3 334.715 2.858 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)c1ccccc1 ZINC000588138696 479398593 /nfs/dbraw/zinc/39/85/93/479398593.db2.gz XZGICZLHSJSHKF-UHFFFAOYSA-N -1 3 349.383 2.604 20 30 EFEDHM C[C@H](CCC#N)CNc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000602697544 479483447 /nfs/dbraw/zinc/48/34/47/479483447.db2.gz ARQUFAYLQZNAIB-LLVKDONJSA-N -1 3 325.409 2.618 20 30 EFEDHM CC[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)N1CCc2ccccc2C1 ZINC000589168439 479491030 /nfs/dbraw/zinc/49/10/30/479491030.db2.gz INASUHWYBREUAQ-LJQANCHMSA-N -1 3 349.434 2.831 20 30 EFEDHM CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589187129 479493120 /nfs/dbraw/zinc/49/31/20/479493120.db2.gz YVXAGRDYADCNAY-SFHVURJKSA-N -1 3 335.407 2.610 20 30 EFEDHM Cc1cccc(CN(CCN(C)C)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589191040 479493815 /nfs/dbraw/zinc/49/38/15/479493815.db2.gz DPSASGQHVTYMEH-UHFFFAOYSA-N -1 3 337.423 2.776 20 30 EFEDHM CCC(C#N)C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000593894158 479501247 /nfs/dbraw/zinc/50/12/47/479501247.db2.gz VWDOZGQDPVOXDJ-ZETCQYMHSA-N -1 3 339.218 2.811 20 30 EFEDHM CC[C@H](C)N[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1ccco1 ZINC000589249345 479505503 /nfs/dbraw/zinc/50/55/03/479505503.db2.gz FNGOQOMHAIPIBA-LRDDRELGSA-N -1 3 327.384 2.716 20 30 EFEDHM CC(C)(C)OC(=O)C[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)[O-] ZINC000593947986 479516612 /nfs/dbraw/zinc/51/66/12/479516612.db2.gz QFHJWXUJWOEOCN-OAHLLOKOSA-N -1 3 346.427 2.762 20 30 EFEDHM CCCC[C@H]([N-]S(=O)(=O)CCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000576075642 479532493 /nfs/dbraw/zinc/53/24/93/479532493.db2.gz ZBQWSCJBRJESQK-ZDUSSCGKSA-N -1 3 346.493 2.746 20 30 EFEDHM Cc1nc(NC(=O)c2cc(C(F)F)[n-]n2)sc1SCC#N ZINC000602793286 479556472 /nfs/dbraw/zinc/55/64/72/479556472.db2.gz ORLMNJYKUQJGIP-UHFFFAOYSA-N -1 3 329.357 2.980 20 30 EFEDHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618715471 479564045 /nfs/dbraw/zinc/56/40/45/479564045.db2.gz FZAMJKSUBFOTQW-AWEZNQCLSA-N -1 3 333.438 2.597 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000577934283 479599429 /nfs/dbraw/zinc/59/94/29/479599429.db2.gz UIBLAEPPBJUUJJ-OLZOCXBDSA-N -1 3 336.240 2.756 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]CC2(C#N)CC2)c(Cl)c1Cl ZINC000578005883 479600807 /nfs/dbraw/zinc/60/08/07/479600807.db2.gz XHQDZPXNPHITIX-UHFFFAOYSA-N -1 3 335.212 2.584 20 30 EFEDHM C[C@@]1(C#N)CCCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000612167846 479604923 /nfs/dbraw/zinc/60/49/23/479604923.db2.gz XEOXAZMGTUIRKJ-IBGZPJMESA-N -1 3 348.410 2.647 20 30 EFEDHM COc1cc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc(OC)c1[O-] ZINC000618892882 479626623 /nfs/dbraw/zinc/62/66/23/479626623.db2.gz RWKIZRURBZMGHQ-OAHLLOKOSA-N -1 3 338.363 2.698 20 30 EFEDHM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1 ZINC000590598372 479665655 /nfs/dbraw/zinc/66/56/55/479665655.db2.gz WQBCTMVZEXDVCK-UHFFFAOYSA-N -1 3 337.445 2.506 20 30 EFEDHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000579175493 479669203 /nfs/dbraw/zinc/66/92/03/479669203.db2.gz RMKGJYAVRRABDA-IAGOWNOFSA-N -1 3 348.468 2.828 20 30 EFEDHM Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc([O-])cc(C#N)c1)N(C)C ZINC000615500212 479680431 /nfs/dbraw/zinc/68/04/31/479680431.db2.gz GOWJZYJLEIBRSZ-IFXJQAMLSA-N -1 3 337.423 2.994 20 30 EFEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nnc4ccccn43)on2)c1 ZINC000619108760 479689370 /nfs/dbraw/zinc/68/93/70/479689370.db2.gz JLTGMYLYTSTCDP-UHFFFAOYSA-N -1 3 330.307 2.508 20 30 EFEDHM C=CCC1(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])CCCC1 ZINC000619111321 479690204 /nfs/dbraw/zinc/69/02/04/479690204.db2.gz UQCLHHFAXLGBQJ-UHFFFAOYSA-N -1 3 330.428 2.826 20 30 EFEDHM CCn1ncc(Cl)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000621705553 479759703 /nfs/dbraw/zinc/75/97/03/479759703.db2.gz JPWRJFLKZJUAHI-SNVBAGLBSA-N -1 3 327.775 2.933 20 30 EFEDHM O=C(c1cc(F)c[n-]c1=O)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000621894120 479826623 /nfs/dbraw/zinc/82/66/23/479826623.db2.gz GACWVAZJHKUHPU-HTQZYQBOSA-N -1 3 346.202 2.739 20 30 EFEDHM COc1ccc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)nn1 ZINC000609965969 480223344 /nfs/dbraw/zinc/22/33/44/480223344.db2.gz XTUVYDBHDILROY-VIFPVBQESA-N -1 3 328.397 2.795 20 30 EFEDHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610267216 480265701 /nfs/dbraw/zinc/26/57/01/480265701.db2.gz PCCGWEREOAAWMS-ZDUSSCGKSA-N -1 3 348.399 2.752 20 30 EFEDHM CC(C)(C#N)C[C@@H](O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000621263965 480419710 /nfs/dbraw/zinc/41/97/10/480419710.db2.gz MFHWRTZFVPNZTC-QGZVFWFLSA-N -1 3 330.428 2.588 20 30 EFEDHM CCO[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1 ZINC000618373868 480647613 /nfs/dbraw/zinc/64/76/13/480647613.db2.gz PRKHJEBKVBWUEF-MRXNPFEDSA-N -1 3 348.399 2.753 20 30 EFEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000644950441 480654035 /nfs/dbraw/zinc/65/40/35/480654035.db2.gz BVPFCOYFNFRXOC-LLVKDONJSA-N -1 3 344.502 2.826 20 30 EFEDHM C=CCC1(NC(=O)C(=O)[N-]c2nccn2-c2ccccc2)CCCC1 ZINC000658731325 481041354 /nfs/dbraw/zinc/04/13/54/481041354.db2.gz OXKGAGSHXRUFHS-UHFFFAOYSA-N -1 3 338.411 2.816 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)[nH]c(=O)n3C2CC2)nc(C)n1 ZINC000659024549 481170052 /nfs/dbraw/zinc/17/00/52/481170052.db2.gz GHEPEFJKKPCFQA-AWEZNQCLSA-N -1 3 347.378 2.974 20 30 EFEDHM C=CCN(CC=C)[C@H](C[N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000642515557 481211753 /nfs/dbraw/zinc/21/17/53/481211753.db2.gz LEKLHWIBNNWXOH-MRXNPFEDSA-N -1 3 340.464 2.803 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000648431747 481541184 /nfs/dbraw/zinc/54/11/84/481541184.db2.gz CCOKROUYADETLP-GFCCVEGCSA-N -1 3 339.745 2.688 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cnc(N(C)C)c(Cl)c2)nc(C)n1 ZINC000654969918 482111875 /nfs/dbraw/zinc/11/18/75/482111875.db2.gz OOAUOWJVKNCBOG-GFCCVEGCSA-N -1 3 329.791 2.698 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000183980357 534084841 /nfs/dbraw/zinc/08/48/41/534084841.db2.gz SZTCYOADFLLMIQ-HNNXBMFYSA-N -1 3 335.407 2.783 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000231031639 535726745 /nfs/dbraw/zinc/72/67/45/535726745.db2.gz ZXXRCBGCHJQCAI-QMMMGPOBSA-N -1 3 335.198 2.559 20 30 EFEDHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)s1 ZINC000157824814 534122503 /nfs/dbraw/zinc/12/25/03/534122503.db2.gz FEXLWWVTZIWDOL-SNVBAGLBSA-N -1 3 338.429 2.977 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000435585103 534324914 /nfs/dbraw/zinc/32/49/14/534324914.db2.gz SBANSPQJTJTGTF-NHYWBVRUSA-N -1 3 331.384 2.533 20 30 EFEDHM C=CC[C@H](C)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000265273277 534338937 /nfs/dbraw/zinc/33/89/37/534338937.db2.gz GNTAKYBKMYCBKT-NSHDSACASA-N -1 3 341.433 2.543 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000435585104 534369403 /nfs/dbraw/zinc/36/94/03/534369403.db2.gz SBANSPQJTJTGTF-XHDPSFHLSA-N -1 3 331.384 2.533 20 30 EFEDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000189252023 524192349 /nfs/dbraw/zinc/19/23/49/524192349.db2.gz FGBUDGGHEZWPGM-UHFFFAOYSA-N -1 3 345.380 2.562 20 30 EFEDHM COc1ccccc1-c1nc(NC(=O)Cc2ccc(C#N)cc2)n[n-]1 ZINC000194871717 524288654 /nfs/dbraw/zinc/28/86/54/524288654.db2.gz QBYIDKTYEKZALO-UHFFFAOYSA-N -1 3 333.351 2.533 20 30 EFEDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230347363 526104763 /nfs/dbraw/zinc/10/47/63/526104763.db2.gz UKMWJYQMCIAUFB-UHFFFAOYSA-N -1 3 342.829 2.760 20 30 EFEDHM C=C(C)CN(CC)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000179423035 526545800 /nfs/dbraw/zinc/54/58/00/526545800.db2.gz JQVMNQILIPPHFO-UHFFFAOYSA-N -1 3 343.383 2.979 20 30 EFEDHM N#Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1F ZINC000076881102 526569789 /nfs/dbraw/zinc/56/97/89/526569789.db2.gz PIVDBQZXIQXTDD-UHFFFAOYSA-N -1 3 325.259 2.734 20 30 EFEDHM C=CCn1c(SCC(=O)Nc2ccccc2[O-])nnc1C1CC1 ZINC000180675157 527336635 /nfs/dbraw/zinc/33/66/35/527336635.db2.gz WGSZSCKSIDOHOR-UHFFFAOYSA-N -1 3 330.413 2.778 20 30 EFEDHM CCOC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)cc([N+](=O)[O-])c1 ZINC000041493767 528156478 /nfs/dbraw/zinc/15/64/78/528156478.db2.gz XLFRCBVPWJILLE-CQSZACIVSA-N -1 3 339.307 2.657 20 30 EFEDHM CC(C)c1csc(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)n1 ZINC000154085423 528234555 /nfs/dbraw/zinc/23/45/55/528234555.db2.gz QIFIKTOLGGZVMT-UHFFFAOYSA-N -1 3 335.454 2.758 20 30 EFEDHM CCS[C@@H]1CCC[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000178072089 529217045 /nfs/dbraw/zinc/21/70/45/529217045.db2.gz AHTPFYVZLKBXBL-HZPDHXFCSA-N -1 3 347.484 2.586 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000355035513 535004418 /nfs/dbraw/zinc/00/44/18/535004418.db2.gz GNCRUAZJMBVGJU-UHFFFAOYSA-N -1 3 332.367 2.920 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000355035513 535004421 /nfs/dbraw/zinc/00/44/21/535004421.db2.gz GNCRUAZJMBVGJU-UHFFFAOYSA-N -1 3 332.367 2.920 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000355035513 535004428 /nfs/dbraw/zinc/00/44/28/535004428.db2.gz GNCRUAZJMBVGJU-UHFFFAOYSA-N -1 3 332.367 2.920 20 30 EFEDHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccc(C#N)s1)OC ZINC000435443513 535101411 /nfs/dbraw/zinc/10/14/11/535101411.db2.gz OZBRTKVFJQVODI-CYBMUJFWSA-N -1 3 330.475 2.739 20 30 EFEDHM COCCOc1cc(C)ccc1/N=C/c1c([O-])c(C)ncc1CO ZINC000298803233 536596874 /nfs/dbraw/zinc/59/68/74/536596874.db2.gz ZXCKGFNVBYLKJX-KEBDBYFISA-N -1 3 330.384 2.672 20 30 EFEDHM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(C)C ZINC000355717403 536816239 /nfs/dbraw/zinc/81/62/39/536816239.db2.gz TXOKBYKOBXOTGP-BIGNPOOSSA-N -1 3 342.848 2.549 20 30 EFEDHM N#CC(=C([O-])c1ccc(Cl)c(N2CCCC2=O)c1)c1ccncn1 ZINC000680618417 549359694 /nfs/dbraw/zinc/35/96/94/549359694.db2.gz QQHVFOFFKVOWAC-LBPRGKRZSA-N -1 3 340.770 2.747 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000657003209 547000712 /nfs/dbraw/zinc/00/07/12/547000712.db2.gz URVOTMAJZDKUPO-KGLIPLIRSA-N -1 3 333.812 2.632 20 30 EFEDHM C=CCCCS(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000657084117 547028567 /nfs/dbraw/zinc/02/85/67/547028567.db2.gz YZSKYHYRYDBWKX-GFCCVEGCSA-N -1 3 329.384 2.762 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CCCC1 ZINC000657188408 547060969 /nfs/dbraw/zinc/06/09/69/547060969.db2.gz SREFRQBRYMUSRZ-UHFFFAOYSA-N -1 3 342.486 2.551 20 30 EFEDHM COCCn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(C)n1 ZINC000679881577 549210243 /nfs/dbraw/zinc/21/02/43/549210243.db2.gz PQEDFEVCFDRFDZ-OAHLLOKOSA-N -1 3 334.379 2.876 20 30 EFEDHM CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(N2CCCC2)cc1[O-] ZINC000753929790 575360712 /nfs/dbraw/zinc/36/07/12/575360712.db2.gz SEJCYIGTVRNGPX-IAGOWNOFSA-N -1 3 341.459 2.576 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1C(=O)[N-]c2c1cccc2F ZINC000753954790 575366033 /nfs/dbraw/zinc/36/60/33/575366033.db2.gz HSDHUPRAKQLOKF-SKDRFNHKSA-N -1 3 334.420 2.525 20 30 EFEDHM CCS(=O)(=O)N1CCC(C/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000753995213 575372777 /nfs/dbraw/zinc/37/27/77/575372777.db2.gz PDCJKZSSWKMRKL-GZTJUZNOSA-N -1 3 344.864 2.526 20 30 EFEDHM COc1ccc(C#N)cc1COC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000754271083 575413356 /nfs/dbraw/zinc/41/33/56/575413356.db2.gz JARBFOKMMBHFSN-UHFFFAOYSA-N -1 3 343.335 2.647 20 30 EFEDHM COc1cc(C(=O)OCc2ccc(F)cc2C#N)cc(OC)c1[O-] ZINC000754282274 575414938 /nfs/dbraw/zinc/41/49/38/575414938.db2.gz VRFPGUQBWIWCHL-UHFFFAOYSA-N -1 3 331.299 2.777 20 30 EFEDHM CCc1ccc2c(c1)C(=N[N-]c1ccc(C(F)(F)F)nn1)C(=O)N2 ZINC000754711025 575475418 /nfs/dbraw/zinc/47/54/18/575475418.db2.gz RESFTGACDJMCHV-UHFFFAOYSA-N -1 3 335.289 2.826 20 30 EFEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cc[nH]n2)cc1 ZINC000755682598 575618455 /nfs/dbraw/zinc/61/84/55/575618455.db2.gz HPEGJJHVMFWJTK-UHFFFAOYSA-N -1 3 341.396 2.657 20 30 EFEDHM CC(C)(C)n1ncc2c1nc(NN=Cc1cc(F)ccc1[O-])[nH]c2=O ZINC000755724835 575624436 /nfs/dbraw/zinc/62/44/36/575624436.db2.gz AXPNWGUFQGKGDF-UHFFFAOYSA-N -1 3 344.350 2.578 20 30 EFEDHM COC(=O)c1cccc(COC(=O)c2ccc(F)cc2[O-])c1C#N ZINC000756215176 575703630 /nfs/dbraw/zinc/70/36/30/575703630.db2.gz HDLIBSDRESDYAC-UHFFFAOYSA-N -1 3 329.283 2.547 20 30 EFEDHM CC(=O)N1CC[C@H](/N=C/c2c([O-])c(C)ncc2CO)c2ccccc21 ZINC000756845670 575791475 /nfs/dbraw/zinc/79/14/75/575791475.db2.gz DZBLVRZNBWYVGW-GVLJNOETSA-N -1 3 339.395 2.505 20 30 EFEDHM [O-]c1c(O)cc(CN=Nc2nccnc2Cl)cc1Br ZINC000757584984 575843495 /nfs/dbraw/zinc/84/34/95/575843495.db2.gz VOSZMCRYJJNGRQ-UHFFFAOYSA-N -1 3 343.568 2.750 20 30 EFEDHM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1cc(=O)c([O-])co1 ZINC000758124315 575860328 /nfs/dbraw/zinc/86/03/28/575860328.db2.gz FNYGBYAPZODPAK-UHFFFAOYSA-N -1 3 339.225 2.593 20 30 EFEDHM Cc1cc([O-])ccc1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O ZINC000758532946 575871779 /nfs/dbraw/zinc/87/17/79/575871779.db2.gz ZOBFADGAVGYUBQ-AWEZNQCLSA-N -1 3 342.376 2.596 20 30 EFEDHM COc1cc(Cl)cc(C=NNC(=S)N[C@@H](C)C2CC2)c1[O-] ZINC000758878097 575879246 /nfs/dbraw/zinc/87/92/46/575879246.db2.gz HOZFSPVSBZCVIL-QMMMGPOBSA-N -1 3 327.837 2.651 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(F)cc1N(C)C ZINC000759203247 575886907 /nfs/dbraw/zinc/88/69/07/575886907.db2.gz XKYDWUCGJHRDIC-UHFFFAOYSA-N -1 3 349.431 2.735 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(F)c2cccnc12 ZINC000759202538 575886951 /nfs/dbraw/zinc/88/69/51/575886951.db2.gz RTGGXPCBOJJHAE-UHFFFAOYSA-N -1 3 343.383 2.827 20 30 EFEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(Cl)n1 ZINC000760326069 576005753 /nfs/dbraw/zinc/00/57/53/576005753.db2.gz YZOKSVKFQGBGKT-UHFFFAOYSA-N -1 3 341.751 2.555 20 30 EFEDHM N#CC(=C([O-])c1ccc(-n2cnc3ccccc32)nc1)c1ccncn1 ZINC000760337956 576007681 /nfs/dbraw/zinc/00/76/81/576007681.db2.gz BSJYDFSKSQJGKR-CQSZACIVSA-N -1 3 340.346 2.701 20 30 EFEDHM CCOc1ccc(/C=N/C2CCN(c3cccnn3)CC2)c([O-])c1 ZINC000760989720 576097558 /nfs/dbraw/zinc/09/75/58/576097558.db2.gz FSDPBYAEPUNGHV-CPNJWEJPSA-N -1 3 326.400 2.669 20 30 EFEDHM COc1ccc(/C=C/C(=O)c2cnn(C)c2)c(Br)c1[O-] ZINC000761008787 576100765 /nfs/dbraw/zinc/10/07/65/576100765.db2.gz ACTJROXHLHUGPK-HWKANZROSA-N -1 3 337.173 2.793 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000762556851 576313088 /nfs/dbraw/zinc/31/30/88/576313088.db2.gz YITDPCVCSHKIIY-JTQLQIEISA-N -1 3 341.795 2.998 20 30 EFEDHM COc1cc(C#N)ccc1OCCSCc1nc(C)cc(=O)[n-]1 ZINC000763213445 576367509 /nfs/dbraw/zinc/36/75/09/576367509.db2.gz RNENONULBYJDLU-UHFFFAOYSA-N -1 3 331.397 2.683 20 30 EFEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc([O-])ccc2Cl)c1 ZINC000764377023 576452501 /nfs/dbraw/zinc/45/25/01/576452501.db2.gz LNDOHMXRSQDAAU-UHFFFAOYSA-N -1 3 342.782 2.738 20 30 EFEDHM CCCCCCCCCCCC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000764512049 576467565 /nfs/dbraw/zinc/46/75/65/576467565.db2.gz JQEUEGUPVLBNNN-OAHLLOKOSA-N -1 3 337.464 2.670 20 30 EFEDHM CC(=N[N-]S(C)(=O)=O)c1ccc(SCC(F)(F)F)cc1 ZINC000764699080 576490206 /nfs/dbraw/zinc/49/02/06/576490206.db2.gz IPDRAIQQYMNLIA-UHFFFAOYSA-N -1 3 326.365 2.614 20 30 EFEDHM CC(=N[N-]S(C)(=O)=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000764700567 576490252 /nfs/dbraw/zinc/49/02/52/576490252.db2.gz MNHNFDOGMWOYQZ-MRVPVSSYSA-N -1 3 325.217 2.686 20 30 EFEDHM CC(=N[N-]S(C)(=O)=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000764704658 576491137 /nfs/dbraw/zinc/49/11/37/576491137.db2.gz PXVMPPUYALBHEK-UHFFFAOYSA-N -1 3 348.268 2.997 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc2cc[nH]c2n1 ZINC000764756833 576499105 /nfs/dbraw/zinc/49/91/05/576499105.db2.gz WEIIUBUGZSOOGQ-LBPRGKRZSA-N -1 3 334.335 2.533 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc2cc[nH]c2n1 ZINC000764763802 576500414 /nfs/dbraw/zinc/50/04/14/576500414.db2.gz WSJVBZWCPBZQKF-ZDUSSCGKSA-N -1 3 348.362 2.923 20 30 EFEDHM N#Cc1cc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)ncn1 ZINC000764828205 576508835 /nfs/dbraw/zinc/50/88/35/576508835.db2.gz HFWOVUJKXCKILL-CQSZACIVSA-N -1 3 343.818 2.784 20 30 EFEDHM C#CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000765234613 577021583 /nfs/dbraw/zinc/02/15/83/577021583.db2.gz VGVXYTQWFGCOEJ-OAHLLOKOSA-N -1 3 325.364 2.904 20 30 EFEDHM C#CCCOC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000765414857 577039426 /nfs/dbraw/zinc/03/94/26/577039426.db2.gz REOZUOJXLQSBBR-UHFFFAOYSA-N -1 3 343.832 2.597 20 30 EFEDHM Cc1nn2c(C=N[N-]c3oc(C(C)C)nc3C#N)c(C)nc2s1 ZINC000765571507 577055270 /nfs/dbraw/zinc/05/52/70/577055270.db2.gz KWEAKVUUXJZWIY-UHFFFAOYSA-N -1 3 329.389 2.837 20 30 EFEDHM Cc1nn2c(C=N[N-]c3oc(CC(C)C)nc3C#N)c(C)nc2s1 ZINC000765573113 577055340 /nfs/dbraw/zinc/05/53/40/577055340.db2.gz WXSIVNOMYVBXKE-UHFFFAOYSA-N -1 3 343.416 2.912 20 30 EFEDHM CCc1cnccc1C(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000765581460 577056206 /nfs/dbraw/zinc/05/62/06/577056206.db2.gz PVLORNOKZMXLHN-UHFFFAOYSA-N -1 3 331.441 2.530 20 30 EFEDHM [O-]c1ccc(Br)c(C=NNCCOCC(F)(F)F)c1 ZINC000765594640 577057749 /nfs/dbraw/zinc/05/77/49/577057749.db2.gz YWEIXNOBFBFCBX-UHFFFAOYSA-N -1 3 341.127 2.657 20 30 EFEDHM C=CCc1cc(OCC)cc(CN2CCNC(=O)[C@@H]2CCC)c1[O-] ZINC000765700575 577068328 /nfs/dbraw/zinc/06/83/28/577068328.db2.gz GHMGPFUEAKGZBI-KRWDZBQOSA-N -1 3 332.444 2.620 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2[nH]ccc2c1 ZINC000765917051 577087085 /nfs/dbraw/zinc/08/70/85/577087085.db2.gz WSXOVUZSXUCCPQ-KEDPEKRHSA-N -1 3 330.347 2.924 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000766504448 577159237 /nfs/dbraw/zinc/15/92/37/577159237.db2.gz GPWPORIFDISGOD-GFCCVEGCSA-N -1 3 346.865 2.656 20 30 EFEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(Cl)n1 ZINC000766549135 577165168 /nfs/dbraw/zinc/16/51/68/577165168.db2.gz RSWPBMNLIHMENS-UHFFFAOYSA-N -1 3 337.788 2.725 20 30 EFEDHM O=c1c2cc(Br)ccc2ncn1N=Cc1ccccc1[O-] ZINC000767300253 577203302 /nfs/dbraw/zinc/20/33/02/577203302.db2.gz HLZAGCBPYBQZKF-UHFFFAOYSA-N -1 3 344.168 2.747 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)c(Cl)c1 ZINC000767734227 577230884 /nfs/dbraw/zinc/23/08/84/577230884.db2.gz LDEOFAIOMCGRJK-UHFFFAOYSA-N -1 3 348.767 2.683 20 30 EFEDHM CCCCCn1cc(C/N=C\c2c([O-])c(C)ncc2CO)c(C)n1 ZINC000767876983 577239771 /nfs/dbraw/zinc/23/97/71/577239771.db2.gz BGDVZZRYLUCOKA-GRSHGNNSSA-N -1 3 330.432 2.902 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441324 577273816 /nfs/dbraw/zinc/27/38/16/577273816.db2.gz YJUVXCCITNXXAR-GOSISDBHSA-N -1 3 327.355 2.593 20 30 EFEDHM CC(=NNC(=S)NCCc1ccccn1)c1ccc(C)cc1[O-] ZINC000726423987 577365208 /nfs/dbraw/zinc/36/52/08/577365208.db2.gz UIEGGJNTGCFRFD-UHFFFAOYSA-N -1 3 328.441 2.526 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccccc1N(C)C ZINC000769568860 577372960 /nfs/dbraw/zinc/37/29/60/577372960.db2.gz BOVSBLPKQKNQLJ-UHFFFAOYSA-N -1 3 331.441 2.596 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc3c[nH]nc32)cc1 ZINC000726732823 577382282 /nfs/dbraw/zinc/38/22/82/577382282.db2.gz KZLJWKFBXVRGBO-INIZCTEOSA-N -1 3 348.362 2.841 20 30 EFEDHM CCc1ccc([O-])c(C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)c1 ZINC000769768570 577384060 /nfs/dbraw/zinc/38/40/60/577384060.db2.gz MTHGSAXDFWJJHQ-HNNXBMFYSA-N -1 3 340.379 2.966 20 30 EFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1cccc(F)c1)[n-]c2=O ZINC000769813739 577387316 /nfs/dbraw/zinc/38/73/16/577387316.db2.gz WEBLYYZXTNGKMJ-UHFFFAOYSA-N -1 3 328.351 2.872 20 30 EFEDHM COc1ccc2cc(CN=Nc3nc4c(cnn4C)c(=O)[n-]3)ccc2c1 ZINC000769820120 577387871 /nfs/dbraw/zinc/38/78/71/577387871.db2.gz XRMXQIQRWPZDNV-UHFFFAOYSA-N -1 3 348.366 2.677 20 30 EFEDHM COc1cc(Br)cc(C=NNCC(F)(F)F)c1[O-] ZINC000769823962 577388008 /nfs/dbraw/zinc/38/80/08/577388008.db2.gz CSFOFPBVZZXWCD-UHFFFAOYSA-N -1 3 327.100 2.649 20 30 EFEDHM C#C[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000770364361 577413039 /nfs/dbraw/zinc/41/30/39/577413039.db2.gz KXSDHDIJPDEPDP-VIFPVBQESA-N -1 3 326.830 2.764 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000770390972 577414720 /nfs/dbraw/zinc/41/47/20/577414720.db2.gz PHXABJPUIFRLSY-JTQLQIEISA-N -1 3 330.793 2.637 20 30 EFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000738363914 577418146 /nfs/dbraw/zinc/41/81/46/577418146.db2.gz OXWVCPSZKNASLB-HOTGVXAUSA-N -1 3 345.443 2.591 20 30 EFEDHM C=CCNc1ncc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)s1 ZINC000771000463 581161114 /nfs/dbraw/zinc/16/11/14/581161114.db2.gz ZIKLBSAWUAJWKS-UHFFFAOYSA-N -1 3 340.412 2.633 20 30 EFEDHM CC(C)(C)OC(=O)N[C@H]1CC[C@H](OC(=O)c2ccc(C#N)[n-]2)CC1 ZINC000771298927 581196767 /nfs/dbraw/zinc/19/67/67/581196767.db2.gz LKDKEFMULLLISR-AULYBMBSSA-N -1 3 333.388 2.879 20 30 EFEDHM C=CCN(Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-])C1CC1 ZINC000771641704 581229471 /nfs/dbraw/zinc/22/94/71/581229471.db2.gz XPSNWZZTSKMUDS-UHFFFAOYSA-N -1 3 344.455 2.577 20 30 EFEDHM CCOc1ccc(/C=N/[C@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000772801960 581370074 /nfs/dbraw/zinc/37/00/74/581370074.db2.gz JFKQVVFKTIJIKL-QOJWJBQSSA-N -1 3 344.333 2.763 20 30 EFEDHM CCOC(=O)C(F)(F)[C@H]1CCCC(N=Nc2nc(C)cc(=O)[n-]2)C1 ZINC000772827204 581372841 /nfs/dbraw/zinc/37/28/41/581372841.db2.gz FQVJHMUINHKESA-JTQLQIEISA-N -1 3 342.346 2.647 20 30 EFEDHM COc1c([O-])c(C=NNc2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000773055743 581391570 /nfs/dbraw/zinc/39/15/70/581391570.db2.gz UJTZJKNIPJHFCA-UHFFFAOYSA-N -1 3 341.327 2.642 20 30 EFEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(C#N)cc1 ZINC000773059564 581391867 /nfs/dbraw/zinc/39/18/67/581391867.db2.gz UEJZXQDBSSBNPX-UHFFFAOYSA-N -1 3 341.436 2.834 20 30 EFEDHM CC(C)(C)c1cc([N-]C(=O)COC(=O)C#Cc2ccccc2)on1 ZINC000773453075 581432659 /nfs/dbraw/zinc/43/26/59/581432659.db2.gz MXPLNEHCXVFMDI-UHFFFAOYSA-N -1 3 326.352 2.506 20 30 EFEDHM C=C(CC)COC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000773480169 581435374 /nfs/dbraw/zinc/43/53/74/581435374.db2.gz HGOKBTPNLMUUCC-UHFFFAOYSA-N -1 3 343.383 2.517 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=CCCc1ccc2c(c1)CCO2 ZINC000774375303 581490404 /nfs/dbraw/zinc/49/04/04/581490404.db2.gz QPXOJPVWCKORIT-UHFFFAOYSA-N -1 3 344.436 2.660 20 30 EFEDHM COc1cc(F)cc(NN=C2C(=O)[N-]c3c2cc([N+](=O)[O-])cc3F)c1 ZINC000774387301 581490666 /nfs/dbraw/zinc/49/06/66/581490666.db2.gz BLWUEACFHTZBOA-UHFFFAOYSA-N -1 3 348.265 2.650 20 30 EFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(Cl)cn1 ZINC000774393409 581490768 /nfs/dbraw/zinc/49/07/68/581490768.db2.gz MECAWYTWPTVQDN-UHFFFAOYSA-N -1 3 337.832 2.621 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2CCCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737704914 598921257 /nfs/dbraw/zinc/92/12/57/598921257.db2.gz LLCLNYPFIGBKEQ-QGZVFWFLSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2CCCc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737704914 598921259 /nfs/dbraw/zinc/92/12/59/598921259.db2.gz LLCLNYPFIGBKEQ-QGZVFWFLSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1cc(NC(=O)C=Cc2ccccc2F)ccc1-c1nnn[n-]1 ZINC000737705156 598921597 /nfs/dbraw/zinc/92/15/97/598921597.db2.gz NFOBCEPNUWTHIZ-VMPITWQZSA-N -1 3 334.314 2.529 20 30 EFEDHM N#Cc1cc(NC(=O)C=Cc2ccccc2F)ccc1-c1nn[n-]n1 ZINC000737705156 598921598 /nfs/dbraw/zinc/92/15/98/598921598.db2.gz NFOBCEPNUWTHIZ-VMPITWQZSA-N -1 3 334.314 2.529 20 30 EFEDHM COc1ccc(Cl)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821824643 607254602 /nfs/dbraw/zinc/25/46/02/607254602.db2.gz OJWNBBKWAWRFGL-UHFFFAOYSA-N -1 3 342.790 2.652 20 30 EFEDHM COc1ccc(Cl)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821824643 607254603 /nfs/dbraw/zinc/25/46/03/607254603.db2.gz OJWNBBKWAWRFGL-UHFFFAOYSA-N -1 3 342.790 2.652 20 30 EFEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1cccc(-c2nnn[n-]2)c1 ZINC000737713576 599045100 /nfs/dbraw/zinc/04/51/00/599045100.db2.gz ZGVGPAZCGLFVCL-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1ccc(C(F)(F)F)nc1NCc1cccc(-c2nn[n-]n2)c1 ZINC000737713576 599045103 /nfs/dbraw/zinc/04/51/03/599045103.db2.gz ZGVGPAZCGLFVCL-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000822825692 599114232 /nfs/dbraw/zinc/11/42/32/599114232.db2.gz LNYQRMRHMQWTMR-DHDCSXOGSA-N -1 3 327.347 2.951 20 30 EFEDHM N#Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000822825692 599114233 /nfs/dbraw/zinc/11/42/33/599114233.db2.gz LNYQRMRHMQWTMR-DHDCSXOGSA-N -1 3 327.347 2.951 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc3cccc(F)c3o2)ccc1-c1nnn[n-]1 ZINC000737710602 599192653 /nfs/dbraw/zinc/19/26/53/599192653.db2.gz ZJNUZZDFDOKIIC-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc3cccc(F)c3o2)ccc1-c1nn[n-]n1 ZINC000737710602 599192654 /nfs/dbraw/zinc/19/26/54/599192654.db2.gz ZJNUZZDFDOKIIC-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM Cc1c(NC(=O)N(CCC#N)CCC(C)C)cccc1-c1nnn[n-]1 ZINC000822075409 607280512 /nfs/dbraw/zinc/28/05/12/607280512.db2.gz FCULSPZAAVSWDZ-UHFFFAOYSA-N -1 3 341.419 2.969 20 30 EFEDHM Cc1c(NC(=O)N(CCC#N)CCC(C)C)cccc1-c1nn[n-]n1 ZINC000822075409 607280513 /nfs/dbraw/zinc/28/05/13/607280513.db2.gz FCULSPZAAVSWDZ-UHFFFAOYSA-N -1 3 341.419 2.969 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822015134 607296488 /nfs/dbraw/zinc/29/64/88/607296488.db2.gz DSINAZVPXGJCGR-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822015134 607296489 /nfs/dbraw/zinc/29/64/89/607296489.db2.gz DSINAZVPXGJCGR-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM C=CCn1c(C)nnc1S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735443058 599286696 /nfs/dbraw/zinc/28/66/96/599286696.db2.gz NRNYFTMIXXHYHK-SNVBAGLBSA-N -1 3 327.417 2.806 20 30 EFEDHM C=CCn1c(C)nnc1S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735443058 599286699 /nfs/dbraw/zinc/28/66/99/599286699.db2.gz NRNYFTMIXXHYHK-SNVBAGLBSA-N -1 3 327.417 2.806 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccccc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204030 598379095 /nfs/dbraw/zinc/37/90/95/598379095.db2.gz XKJMQABWXPFCRC-CMDGGOBGSA-N -1 3 337.358 2.958 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccccc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737204030 598379096 /nfs/dbraw/zinc/37/90/96/598379096.db2.gz XKJMQABWXPFCRC-CMDGGOBGSA-N -1 3 337.358 2.958 20 30 EFEDHM CC[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736310117 598668437 /nfs/dbraw/zinc/66/84/37/598668437.db2.gz UWZKANWGZXKNEY-AWEZNQCLSA-N -1 3 348.366 2.691 20 30 EFEDHM CC[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736310117 598668439 /nfs/dbraw/zinc/66/84/39/598668439.db2.gz UWZKANWGZXKNEY-AWEZNQCLSA-N -1 3 348.366 2.691 20 30 EFEDHM CC#CCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819764139 599661202 /nfs/dbraw/zinc/66/12/02/599661202.db2.gz FTEUZNWFIGZLIL-UHFFFAOYSA-N -1 3 348.362 2.626 20 30 EFEDHM Cc1c2c(nc(SCCCSCC#N)c1-c1nnn[n-]1)CCC2 ZINC000822128940 599689858 /nfs/dbraw/zinc/68/98/58/599689858.db2.gz GKYYMEIVPYQBTM-UHFFFAOYSA-N -1 3 346.485 2.798 20 30 EFEDHM Cc1c2c(nc(SCCCSCC#N)c1-c1nn[n-]n1)CCC2 ZINC000822128940 599689859 /nfs/dbraw/zinc/68/98/59/599689859.db2.gz GKYYMEIVPYQBTM-UHFFFAOYSA-N -1 3 346.485 2.798 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000826251717 607401295 /nfs/dbraw/zinc/40/12/95/607401295.db2.gz YOBUKHMLNMQUMU-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000826251717 607401297 /nfs/dbraw/zinc/40/12/97/607401297.db2.gz YOBUKHMLNMQUMU-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM N#CCC[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381775 607429358 /nfs/dbraw/zinc/42/93/58/607429358.db2.gz YSWJQAOLIINGCL-ZDUSSCGKSA-N -1 3 338.396 2.703 20 30 EFEDHM N#CCC[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381775 607429359 /nfs/dbraw/zinc/42/93/59/607429359.db2.gz YSWJQAOLIINGCL-ZDUSSCGKSA-N -1 3 338.396 2.703 20 30 EFEDHM CC(C)N(CCC(=O)[O-])CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736465355 600444739 /nfs/dbraw/zinc/44/47/39/600444739.db2.gz AIVVVDLWPLFNEB-LBPRGKRZSA-N -1 3 345.424 2.658 20 30 EFEDHM Cc1ccccc1CN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738772741 600563118 /nfs/dbraw/zinc/56/31/18/600563118.db2.gz OMLKBWPYGAPMFX-FQEVSTJZSA-N -1 3 349.434 2.810 20 30 EFEDHM N#Cc1ccc([C@H](NCc2ccc(Cn3cccn3)cc2)C(=O)[O-])cc1 ZINC000739106085 600592614 /nfs/dbraw/zinc/59/26/14/600592614.db2.gz KQIVTKKXDDPTGA-IBGZPJMESA-N -1 3 346.390 2.719 20 30 EFEDHM N#Cc1ccc([C@@H](NCc2ccc(Cn3cccn3)cc2)C(=O)[O-])cc1 ZINC000739106086 600592658 /nfs/dbraw/zinc/59/26/58/600592658.db2.gz KQIVTKKXDDPTGA-LJQANCHMSA-N -1 3 346.390 2.719 20 30 EFEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736662721 600594189 /nfs/dbraw/zinc/59/41/89/600594189.db2.gz SIOJWVRYZOIQKE-BZNIZROVSA-N -1 3 325.324 2.943 20 30 EFEDHM CCOC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737154400 600595528 /nfs/dbraw/zinc/59/55/28/600595528.db2.gz SXGBJNSFAXYPBP-KRWDZBQOSA-N -1 3 338.363 2.650 20 30 EFEDHM N#Cc1ccc([C@@H](NCc2cccc(Cn3cccn3)c2)C(=O)[O-])cc1 ZINC000739105237 600596330 /nfs/dbraw/zinc/59/63/30/600596330.db2.gz FLBYXHRDZWEHAW-LJQANCHMSA-N -1 3 346.390 2.719 20 30 EFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833062968 601236873 /nfs/dbraw/zinc/23/68/73/601236873.db2.gz GANNGAJHQROLQU-MJVIPROJSA-N -1 3 348.786 2.878 20 30 EFEDHM CCOc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC ZINC000830044273 601304808 /nfs/dbraw/zinc/30/48/08/601304808.db2.gz JZMCATXXGQGKEY-GOSISDBHSA-N -1 3 340.379 2.881 20 30 EFEDHM CC[C@@H](C#N)Oc1cc(CNCc2c[nH]c(C(=O)[O-])c2)ccc1OC ZINC000828586637 601833278 /nfs/dbraw/zinc/83/32/78/601833278.db2.gz HIJMDNNIRGVJRH-AWEZNQCLSA-N -1 3 343.383 2.692 20 30 EFEDHM N#Cc1cccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826387395 607674138 /nfs/dbraw/zinc/67/41/38/607674138.db2.gz SRLGYBLIJBOCMX-UHFFFAOYSA-N -1 3 345.366 2.549 20 30 EFEDHM N#Cc1cccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826387395 607674139 /nfs/dbraw/zinc/67/41/39/607674139.db2.gz SRLGYBLIJBOCMX-UHFFFAOYSA-N -1 3 345.366 2.549 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826045245 607681473 /nfs/dbraw/zinc/68/14/73/607681473.db2.gz SLFRKOPAERWPQX-VURMDHGXSA-N -1 3 331.379 2.755 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826045245 607681475 /nfs/dbraw/zinc/68/14/75/607681475.db2.gz SLFRKOPAERWPQX-VURMDHGXSA-N -1 3 331.379 2.755 20 30 EFEDHM COc1cc(OC)cc([C@@H](C(=O)[O-])N(C)Cc2cccc(C#N)c2)c1 ZINC000832040356 604456400 /nfs/dbraw/zinc/45/64/00/604456400.db2.gz DRCFHCSWCBMUEN-SFHVURJKSA-N -1 3 340.379 2.833 20 30 EFEDHM C[C@H]1CC(C)(C)C[C@](CO)(NCc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833589137 604615545 /nfs/dbraw/zinc/61/55/45/604615545.db2.gz KVNALCIKBZIDFP-ORAYPTAESA-N -1 3 330.428 2.923 20 30 EFEDHM CC(=O)N1CC[C@@H](N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC000833393797 604631426 /nfs/dbraw/zinc/63/14/26/604631426.db2.gz MFTHKCLNPFEQNP-IEBWSBKVSA-N -1 3 349.390 2.771 20 30 EFEDHM N#CCCCOc1cccc(CN2CCSC[C@H]2CC(=O)[O-])c1 ZINC000833759994 604662056 /nfs/dbraw/zinc/66/20/56/604662056.db2.gz DJSMEVUBWZWTGZ-OAHLLOKOSA-N -1 3 334.441 2.761 20 30 EFEDHM C[C@H](Oc1ccc(CNCc2ccc(OCC#N)cc2)cc1)C(=O)[O-] ZINC000833541336 605094137 /nfs/dbraw/zinc/09/41/37/605094137.db2.gz QFEVBZJICIPIEJ-AWEZNQCLSA-N -1 3 340.379 2.731 20 30 EFEDHM C=CCOc1ccc(CN2CC[C@H](OC)C[C@H]2C(=O)[O-])cc1Cl ZINC000833378060 605487469 /nfs/dbraw/zinc/48/74/69/605487469.db2.gz WXSSUWNGHIJVQG-ZFWWWQNUSA-N -1 3 339.819 2.969 20 30 EFEDHM N#Cc1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000822830054 606127742 /nfs/dbraw/zinc/12/77/42/606127742.db2.gz SYXIBBIHJUXEKL-RQOWECAXSA-N -1 3 348.341 2.919 20 30 EFEDHM N#Cc1ccc(NC(=O)C/C=C\c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000822830054 606127743 /nfs/dbraw/zinc/12/77/43/606127743.db2.gz SYXIBBIHJUXEKL-RQOWECAXSA-N -1 3 348.341 2.919 20 30 EFEDHM Cc1cc(C#N)ccc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822161996 606177418 /nfs/dbraw/zinc/17/74/18/606177418.db2.gz WAHJASPATGXGFA-UHFFFAOYSA-N -1 3 330.351 2.879 20 30 EFEDHM Cc1cc(C#N)ccc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822161996 606177419 /nfs/dbraw/zinc/17/74/19/606177419.db2.gz WAHJASPATGXGFA-UHFFFAOYSA-N -1 3 330.351 2.879 20 30 EFEDHM C=CCCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819733823 606270705 /nfs/dbraw/zinc/27/07/05/606270705.db2.gz BTXLBRPOLYSKDO-UHFFFAOYSA-N -1 3 341.415 2.593 20 30 EFEDHM C=CCCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819733823 606270707 /nfs/dbraw/zinc/27/07/07/606270707.db2.gz BTXLBRPOLYSKDO-UHFFFAOYSA-N -1 3 341.415 2.593 20 30 EFEDHM C[C@H](OC(=O)c1ccccc1OCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820513109 606344370 /nfs/dbraw/zinc/34/43/70/606344370.db2.gz UXLNMSODQZVAFY-LBPRGKRZSA-N -1 3 349.350 2.687 20 30 EFEDHM C[C@H](OC(=O)c1ccccc1OCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820513109 606344369 /nfs/dbraw/zinc/34/43/69/606344369.db2.gz UXLNMSODQZVAFY-LBPRGKRZSA-N -1 3 349.350 2.687 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(OC)c1 ZINC000821770494 606387183 /nfs/dbraw/zinc/38/71/83/606387183.db2.gz VLFPTIKCRQKXFA-DAXSKMNVSA-N -1 3 342.380 2.842 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CO2 ZINC000821849306 606390559 /nfs/dbraw/zinc/39/05/59/606390559.db2.gz CPJKNRWJLABACJ-TWGQIWQCSA-N -1 3 340.364 2.596 20 30 EFEDHM CCn1nc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1C ZINC000821566703 606390634 /nfs/dbraw/zinc/39/06/34/606390634.db2.gz QEKVFFOSDNYGMM-FNORWQNLSA-N -1 3 328.401 2.658 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000822801347 606420623 /nfs/dbraw/zinc/42/06/23/606420623.db2.gz HFEHQMISKPUULM-HOTGVXAUSA-N -1 3 331.383 2.538 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000822801347 606420624 /nfs/dbraw/zinc/42/06/24/606420624.db2.gz HFEHQMISKPUULM-HOTGVXAUSA-N -1 3 331.383 2.538 20 30 EFEDHM C#Cc1cccc(N(C(=O)c2cc(-c3nnn[n-]3)cs2)C(C)C)c1 ZINC000819709865 606506792 /nfs/dbraw/zinc/50/67/92/606506792.db2.gz RXKXKNYQRMAHPF-UHFFFAOYSA-N -1 3 337.408 2.965 20 30 EFEDHM C#Cc1cccc(N(C(=O)c2cc(-c3nn[n-]n3)cs2)C(C)C)c1 ZINC000819709865 606506794 /nfs/dbraw/zinc/50/67/94/606506794.db2.gz RXKXKNYQRMAHPF-UHFFFAOYSA-N -1 3 337.408 2.965 20 30 EFEDHM N#Cc1nnc2ccccc2c1Sc1cccc(-c2nnn[n-]2)c1 ZINC000822846308 606945606 /nfs/dbraw/zinc/94/56/06/606945606.db2.gz VYFZWKCAGHDDLO-UHFFFAOYSA-N -1 3 331.364 2.833 20 30 EFEDHM N#Cc1nnc2ccccc2c1Sc1cccc(-c2nn[n-]n2)c1 ZINC000822846308 606945607 /nfs/dbraw/zinc/94/56/07/606945607.db2.gz VYFZWKCAGHDDLO-UHFFFAOYSA-N -1 3 331.364 2.833 20 30 EFEDHM CC(N=Nc1ncnc2ccsc21)c1cccc(-c2nnn[n-]2)c1 ZINC000819782906 606994708 /nfs/dbraw/zinc/99/47/08/606994708.db2.gz RGHDFBFETLADLQ-UHFFFAOYSA-N -1 3 336.384 2.708 20 30 EFEDHM CC(N=Nc1ncnc2ccsc21)c1cccc(-c2nn[n-]n2)c1 ZINC000819782906 606994709 /nfs/dbraw/zinc/99/47/09/606994709.db2.gz RGHDFBFETLADLQ-UHFFFAOYSA-N -1 3 336.384 2.708 20 30 EFEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821588374 607097078 /nfs/dbraw/zinc/09/70/78/607097078.db2.gz OYRGJYZZGKMJPJ-YHYXMXQVSA-N -1 3 337.358 2.968 20 30 EFEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821588374 607097079 /nfs/dbraw/zinc/09/70/79/607097079.db2.gz OYRGJYZZGKMJPJ-YHYXMXQVSA-N -1 3 337.358 2.968 20 30 EFEDHM N#Cc1nnc2ccccc2c1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000822845968 607129583 /nfs/dbraw/zinc/12/95/83/607129583.db2.gz KHIAABAPVYFLHF-UHFFFAOYSA-N -1 3 333.286 2.613 20 30 EFEDHM N#Cc1nnc2ccccc2c1Oc1ccc(-c2nn[n-]n2)cc1F ZINC000822845968 607129585 /nfs/dbraw/zinc/12/95/85/607129585.db2.gz KHIAABAPVYFLHF-UHFFFAOYSA-N -1 3 333.286 2.613 20 30 EFEDHM Clc1cccnc1N=NCc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000822590705 607147639 /nfs/dbraw/zinc/14/76/39/607147639.db2.gz NDFOYIRFHCULJL-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM Clc1cccnc1N=NCc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822590705 607147641 /nfs/dbraw/zinc/14/76/41/607147641.db2.gz NDFOYIRFHCULJL-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM Cc1ncc(C=NNc2ccc(-c3nn[n-]n3)cc2)n1-c1ccccc1 ZINC000826329934 607886127 /nfs/dbraw/zinc/88/61/27/607886127.db2.gz YPHJLIZNVQKVQC-UHFFFAOYSA-N -1 3 344.382 2.807 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826382244 607916063 /nfs/dbraw/zinc/91/60/63/607916063.db2.gz VHPFPLFAHUBDKO-WAPJZHGLSA-N -1 3 349.325 2.804 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826382244 607916064 /nfs/dbraw/zinc/91/60/64/607916064.db2.gz VHPFPLFAHUBDKO-WAPJZHGLSA-N -1 3 349.325 2.804 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826382243 607916134 /nfs/dbraw/zinc/91/61/34/607916134.db2.gz VHPFPLFAHUBDKO-KRXBUXKQSA-N -1 3 349.325 2.804 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826382243 607916135 /nfs/dbraw/zinc/91/61/35/607916135.db2.gz VHPFPLFAHUBDKO-KRXBUXKQSA-N -1 3 349.325 2.804 20 30 EFEDHM CC(=NNC(=S)Nc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953678 608091845 /nfs/dbraw/zinc/09/18/45/608091845.db2.gz LNTZKIUJZRBNFW-UHFFFAOYSA-N -1 3 343.441 2.639 20 30 EFEDHM CC#CCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823943724 608102772 /nfs/dbraw/zinc/10/27/72/608102772.db2.gz RRLMTNCWDQKCID-UHFFFAOYSA-N -1 3 347.378 2.721 20 30 EFEDHM CC#CCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000823943724 608102773 /nfs/dbraw/zinc/10/27/73/608102773.db2.gz RRLMTNCWDQKCID-UHFFFAOYSA-N -1 3 347.378 2.721 20 30 EFEDHM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1F ZINC000826176815 608230820 /nfs/dbraw/zinc/23/08/20/608230820.db2.gz FRJUNDJGQSOEHV-ZZXKWVIFSA-N -1 3 330.344 2.972 20 30 EFEDHM C=C(CC)COC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000823877790 608317944 /nfs/dbraw/zinc/31/79/44/608317944.db2.gz FMNJVOXRHRDLKP-OAHLLOKOSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C(CC)COC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000823877790 608317946 /nfs/dbraw/zinc/31/79/46/608317946.db2.gz FMNJVOXRHRDLKP-OAHLLOKOSA-N -1 3 330.388 2.780 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccc(F)cc1 ZINC000826173048 608322710 /nfs/dbraw/zinc/32/27/10/608322710.db2.gz KSZNVSMZZXJEAI-UHFFFAOYSA-N -1 3 327.319 2.565 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccc(F)cc1 ZINC000826173048 608322711 /nfs/dbraw/zinc/32/27/11/608322711.db2.gz KSZNVSMZZXJEAI-UHFFFAOYSA-N -1 3 327.319 2.565 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2cnccc2-c2nnn[n-]2)c1 ZINC000825038720 608782949 /nfs/dbraw/zinc/78/29/49/608782949.db2.gz GWCIDLRSDNLWMW-ZDUSSCGKSA-N -1 3 335.371 2.555 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2cnccc2-c2nn[n-]n2)c1 ZINC000825038720 608782952 /nfs/dbraw/zinc/78/29/52/608782952.db2.gz GWCIDLRSDNLWMW-ZDUSSCGKSA-N -1 3 335.371 2.555 20 30 EFEDHM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962651 609157914 /nfs/dbraw/zinc/15/79/14/609157914.db2.gz OHIBIZDIDDJACG-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM CC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962651 609157916 /nfs/dbraw/zinc/15/79/16/609157916.db2.gz OHIBIZDIDDJACG-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403370 609272896 /nfs/dbraw/zinc/27/28/96/609272896.db2.gz QDWRXXVXKJXOCC-ALCCZGGFSA-N -1 3 334.314 2.550 20 30 EFEDHM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403370 609272898 /nfs/dbraw/zinc/27/28/98/609272898.db2.gz QDWRXXVXKJXOCC-ALCCZGGFSA-N -1 3 334.314 2.550 20 30 EFEDHM C[C@@H]1CCC[C@@H](CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)C1 ZINC000824929731 609378483 /nfs/dbraw/zinc/37/84/83/609378483.db2.gz YFXBVRALRFVCEY-NXEZZACHSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@@H]1CCC[C@@H](CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC000824929731 609378486 /nfs/dbraw/zinc/37/84/86/609378486.db2.gz YFXBVRALRFVCEY-NXEZZACHSA-N -1 3 329.433 2.634 20 30 EFEDHM O=[N+]([O-])c1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cs1 ZINC000826497783 609474484 /nfs/dbraw/zinc/47/44/84/609474484.db2.gz UMVRMZVARXRJNS-UHFFFAOYSA-N -1 3 349.763 2.936 20 30 EFEDHM O=[N+]([O-])c1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cs1 ZINC000826497783 609474485 /nfs/dbraw/zinc/47/44/85/609474485.db2.gz UMVRMZVARXRJNS-UHFFFAOYSA-N -1 3 349.763 2.936 20 30 EFEDHM N#CCOc1cc(F)ccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000826381835 609493882 /nfs/dbraw/zinc/49/38/82/609493882.db2.gz AVURRBSGPGPGKJ-UHFFFAOYSA-N -1 3 330.348 2.582 20 30 EFEDHM N#CCOc1cc(F)ccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000826381835 609493884 /nfs/dbraw/zinc/49/38/84/609493884.db2.gz AVURRBSGPGPGKJ-UHFFFAOYSA-N -1 3 330.348 2.582 20 30 EFEDHM N#CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)s1 ZINC000826382260 609494236 /nfs/dbraw/zinc/49/42/36/609494236.db2.gz VWUXLRVMDSYHDF-UHFFFAOYSA-N -1 3 330.348 2.582 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ncc(C)cc1C ZINC000823915457 609540323 /nfs/dbraw/zinc/54/03/23/609540323.db2.gz YLYUTHKFVOCFCQ-UHFFFAOYSA-N -1 3 348.410 2.707 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ncc(C)cc1C ZINC000823915457 609540326 /nfs/dbraw/zinc/54/03/26/609540326.db2.gz YLYUTHKFVOCFCQ-UHFFFAOYSA-N -1 3 348.410 2.707 20 30 EFEDHM CC(C)(C)OC(=O)[C@H](C([O-])=C(C#N)c1ccncn1)C1CCCC1 ZINC000850948772 1250705043 /nfs/dbraw/zinc/70/50/43/1250705043.db2.gz VPUWVBMFOFQWGU-ZFWWWQNUSA-N -1 3 329.400 2.801 20 30 EFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000770376157 1256409287 /nfs/dbraw/zinc/40/92/87/1256409287.db2.gz ACCMTMVJFGMOLB-QMMMGPOBSA-N -1 3 336.638 2.793 20 30 EFEDHM N#Cc1cc(Br)ccc1-c1noc(-c2cc(=O)[n-]cn2)n1 ZINC001212360189 1257958292 /nfs/dbraw/zinc/95/82/92/1257958292.db2.gz ABMOQVHZPWVBGJ-UHFFFAOYSA-N -1 3 344.128 2.533 20 30 EFEDHM C#CCCCCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065864973 1266243901 /nfs/dbraw/zinc/24/39/01/1266243901.db2.gz OAGWGUKWLXEZQL-INIZCTEOSA-N -1 3 342.439 2.697 20 30 EFEDHM C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062014751 1260014984 /nfs/dbraw/zinc/01/49/84/1260014984.db2.gz BPFUTFBTHQETEJ-CQSZACIVSA-N -1 3 330.428 2.715 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)cc1 ZINC000131690971 1261158678 /nfs/dbraw/zinc/15/86/78/1261158678.db2.gz YINLOCPPZBQKOP-ZDUSSCGKSA-N -1 3 330.290 2.935 20 30 EFEDHM C=CCN1CC[C@]2(CCCN(Cc3ccccc3C(=O)[O-])CC2)C1=O ZINC001273172662 1261467158 /nfs/dbraw/zinc/46/71/58/1261467158.db2.gz RBUPEFPJEVPGSI-HXUWFJFHSA-N -1 3 342.439 2.775 20 30 EFEDHM N#Cc1cccnc1N[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001061046698 1262799870 /nfs/dbraw/zinc/79/98/70/1262799870.db2.gz DFLIEGQLGLTWSO-LSDHHAIUSA-N -1 3 336.395 2.812 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cccc(F)c1 ZINC000007673992 1263159715 /nfs/dbraw/zinc/15/97/15/1263159715.db2.gz GEPSTZQOUWPUNP-UHFFFAOYSA-N -1 3 328.343 2.679 20 30 EFEDHM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1ccc([O-])cc1F ZINC000729931844 1264115019 /nfs/dbraw/zinc/11/50/19/1264115019.db2.gz WJFSHAZUVZJURQ-UHFFFAOYSA-N -1 3 336.388 2.851 20 30 EFEDHM C#Cc1nc(Br)cnc1Nc1cc(F)cc(F)c1[O-] ZINC001212479487 1264302321 /nfs/dbraw/zinc/30/23/21/1264302321.db2.gz ATEOABISSJETDV-UHFFFAOYSA-N -1 3 326.100 2.948 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(C(=O)[O-])cc2)C1=O ZINC001272968530 1264334833 /nfs/dbraw/zinc/33/48/33/1264334833.db2.gz CIGKMYUQAIISCR-IBGZPJMESA-N -1 3 328.412 2.528 20 30 EFEDHM C=CCN1CC[C@@]2(CCCN(Cc3ccc(C(=O)[O-])cc3)CC2)C1=O ZINC001272969242 1264381017 /nfs/dbraw/zinc/38/10/17/1264381017.db2.gz OVMPZDUYGBVKDH-FQEVSTJZSA-N -1 3 342.439 2.775 20 30 EFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cc([O-])cc(Cl)c1 ZINC001272998049 1265035756 /nfs/dbraw/zinc/03/57/56/1265035756.db2.gz AONUWHYIXOYQCN-HZPDHXFCSA-N -1 3 348.830 2.827 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)c2cccc(OC(C)C)c2)c1[O-] ZINC000734978950 1267177972 /nfs/dbraw/zinc/17/79/72/1267177972.db2.gz GIHBKVGEFRKRBF-IDMJCQGXSA-N -1 3 344.411 2.528 20 30 EFEDHM C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)n1ccc(C=N[O-])nc1=O ZINC000736302523 1267572623 /nfs/dbraw/zinc/57/26/23/1267572623.db2.gz MAECFODMVJZRSS-GFCCVEGCSA-N -1 3 342.399 2.549 20 30 EFEDHM C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)n1ccc(C=N[O-])nc1=O ZINC000736302525 1267573342 /nfs/dbraw/zinc/57/33/42/1267573342.db2.gz MAECFODMVJZRSS-LBPRGKRZSA-N -1 3 342.399 2.549 20 30 EFEDHM CN(C[C@H]1CCN1Cc1ccc(C#N)cc1)C(=O)c1ccccc1[O-] ZINC001085488898 1267630685 /nfs/dbraw/zinc/63/06/85/1267630685.db2.gz KZBVEEQTILAIRP-QGZVFWFLSA-N -1 3 335.407 2.610 20 30 EFEDHM Cc1ccc2c(c1C)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCO2 ZINC000737430583 1268109340 /nfs/dbraw/zinc/10/93/40/1268109340.db2.gz VDGXLGKIBQIGQD-UHFFFAOYSA-N -1 3 344.436 2.910 20 30 EFEDHM C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001273374414 1269143912 /nfs/dbraw/zinc/14/39/12/1269143912.db2.gz MSIINFASGJRUFD-ZDUSSCGKSA-N -1 3 336.382 2.575 20 30 EFEDHM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(Cl)cc1C(=O)[O-] ZINC001273383667 1269452220 /nfs/dbraw/zinc/45/22/20/1269452220.db2.gz YARSCXXMEDQKNR-HZPDHXFCSA-N -1 3 348.830 2.790 20 30 EFEDHM CCN(C(=O)c1ccccc1[O-])[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001033754564 1270082753 /nfs/dbraw/zinc/08/27/53/1270082753.db2.gz XQXCAVKEZQCAAO-IBGZPJMESA-N -1 3 348.446 2.980 20 30 EFEDHM COc1ccc(C)cc1C(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743446869 1270583120 /nfs/dbraw/zinc/58/31/20/1270583120.db2.gz HTYRCHRWLHDIMZ-UHFFFAOYSA-N -1 3 346.452 2.890 20 30 EFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(F)cc1F ZINC000743449089 1270583879 /nfs/dbraw/zinc/58/38/79/1270583879.db2.gz MRPZTYMSLBNJGT-UHFFFAOYSA-N -1 3 338.379 2.851 20 30 EFEDHM Cc1ccc2c(c1)C(=N[N-]S(=O)(=O)CCc1ccccc1)CC2 ZINC000743448759 1270583966 /nfs/dbraw/zinc/58/39/66/1270583966.db2.gz DFSHZPWRTYIHMP-UHFFFAOYSA-N -1 3 328.437 2.807 20 30 EFEDHM COc1nc2sccn2c1C=N[N-]c1oc(C(C)C)nc1C#N ZINC000745612028 1271539942 /nfs/dbraw/zinc/53/99/42/1271539942.db2.gz KPDATVCNYCDLSS-UHFFFAOYSA-N -1 3 330.373 2.833 20 30 EFEDHM Cc1ncc(CO)c(C=NNc2cccc(Br)c2)c1[O-] ZINC000745988294 1271712053 /nfs/dbraw/zinc/71/20/53/1271712053.db2.gz SHMNTCRUWYWNJI-UHFFFAOYSA-N -1 3 336.189 2.796 20 30 EFEDHM CC(C)c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)c([O-])c1 ZINC000746269065 1271949498 /nfs/dbraw/zinc/94/94/98/1271949498.db2.gz LYJDTDNKVVNJKO-UHFFFAOYSA-N -1 3 328.368 2.565 20 30 EFEDHM Cc1ccc2nc(NCCCc3c[n-][nH]c3=O)c(C#N)c(Cl)c2c1 ZINC001156285938 1272814718 /nfs/dbraw/zinc/81/47/18/1272814718.db2.gz SKVCBIRYOQKEBD-NSHDSACASA-N -1 3 341.802 2.992 20 30 EFEDHM C=C1CCC(C(=O)N2CC([C@H](C)NC(=O)c3ccccc3[O-])C2)CC1 ZINC001005723616 1273004235 /nfs/dbraw/zinc/00/42/35/1273004235.db2.gz KSBMHAWFFUZGQF-AWEZNQCLSA-N -1 3 342.439 2.715 20 30 EFEDHM COC(=O)c1nc2ccc(NC34CCC(C#N)(CC3)CC4)nc2[n-]1 ZINC001169750282 1273133489 /nfs/dbraw/zinc/13/34/89/1273133489.db2.gz WWGQPGBELFSAJD-UHFFFAOYSA-N -1 3 325.372 2.773 20 30 EFEDHM COC(=O)c1nc2nc(NC34CCC(C#N)(CC3)CC4)ccc2[n-]1 ZINC001169750282 1273133493 /nfs/dbraw/zinc/13/34/93/1273133493.db2.gz WWGQPGBELFSAJD-UHFFFAOYSA-N -1 3 325.372 2.773 20 30 EFEDHM COC(=O)c1nc2ccc(NC34CCC(C#N)(CC3)CC4)[n-]c-2n1 ZINC001169750282 1273133496 /nfs/dbraw/zinc/13/34/96/1273133496.db2.gz WWGQPGBELFSAJD-UHFFFAOYSA-N -1 3 325.372 2.773 20 30 EFEDHM N#Cc1nc(NCc2ncccc2[O-])c(-c2ccccc2)nc1C#N ZINC001169730595 1273140853 /nfs/dbraw/zinc/14/08/53/1273140853.db2.gz CNBIGJFUIDDUQG-UHFFFAOYSA-N -1 3 328.335 2.600 20 30 EFEDHM COC(=O)n1ncc(C#N)c1[N-]c1ccc2cnccc2c1[N+](=O)[O-] ZINC001169967911 1273268796 /nfs/dbraw/zinc/26/87/96/1273268796.db2.gz GCHIEZOHAVQRBX-UHFFFAOYSA-N -1 3 338.283 2.569 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N/CC[C@@]1(O)CCCOC1 ZINC000844269193 1278839703 /nfs/dbraw/zinc/83/97/03/1278839703.db2.gz AUUUITPYUCRGAG-FSEGOYHTSA-N -1 3 328.206 2.505 20 30 EFEDHM Cc1nsc(NC[C@@H](NC(=O)c2ccccc2[O-])C2CC2)c1C#N ZINC001109779319 1274626438 /nfs/dbraw/zinc/62/64/38/1274626438.db2.gz KFXDVDINIZKSJD-CQSZACIVSA-N -1 3 342.424 2.649 20 30 EFEDHM N#Cc1ccc(N2CCC[C@@H](OC(=O)c3cc4occc4[n-]3)C2=O)cc1 ZINC000786030292 1275279838 /nfs/dbraw/zinc/27/98/38/1275279838.db2.gz XBHXKIPXCKIGEI-MRXNPFEDSA-N -1 3 349.346 2.985 20 30 EFEDHM CCc1ccc(C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)c([O-])c1 ZINC000786897787 1275571951 /nfs/dbraw/zinc/57/19/51/1275571951.db2.gz IZOLALKMSRZIEP-HNNXBMFYSA-N -1 3 340.379 2.966 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1nnc2ccccc2c1[O-] ZINC000787841666 1275937466 /nfs/dbraw/zinc/93/74/66/1275937466.db2.gz AYFYTJQAMUOLAM-HNNXBMFYSA-N -1 3 330.347 2.624 20 30 EFEDHM COc1ccc(C=NOC[C@@H]2CCOC2)c(Br)c1[O-] ZINC000788030900 1276011244 /nfs/dbraw/zinc/01/12/44/1276011244.db2.gz RVXPKMGHGJZILQ-SECBINFHSA-N -1 3 330.178 2.550 20 30 EFEDHM CCn1cccc(C/N=C/c2cc(Br)ccc2[O-])c1=O ZINC000788318752 1276143852 /nfs/dbraw/zinc/14/38/52/1276143852.db2.gz QXNCCOKCEBAFBW-LICLKQGHSA-N -1 3 335.201 2.955 20 30 EFEDHM [O-]c1ccc(Br)cc1C=NN[C@H](CO)c1ccccc1 ZINC000788458576 1276181201 /nfs/dbraw/zinc/18/12/01/1276181201.db2.gz ZGNHSGGEGKLJDX-CQSZACIVSA-N -1 3 335.201 2.812 20 30 EFEDHM COc1c2ccccc2oc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000788674247 1276254442 /nfs/dbraw/zinc/25/44/42/1276254442.db2.gz GXURUOWOTZUTOT-UFWORHAWSA-N -1 3 326.352 2.962 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCC(C)(C)C(=O)OC(C)(C)C)c1[O-] ZINC000818993058 1276566391 /nfs/dbraw/zinc/56/63/91/1276566391.db2.gz WXGBZUDFPXSTHN-VXLYETTFSA-N -1 3 336.432 2.765 20 30 EFEDHM N#Cc1cccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001136182102 1276597296 /nfs/dbraw/zinc/59/72/96/1276597296.db2.gz JBCXOSCISCUGCH-UHFFFAOYSA-N -1 3 339.301 2.608 20 30 EFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c(C)n1C1CCCCC1 ZINC000820470999 1277186205 /nfs/dbraw/zinc/18/62/05/1277186205.db2.gz KOCIKLJVCHFQTN-INIZCTEOSA-N -1 3 333.432 2.720 20 30 EFEDHM Cc1cccc(Oc2ccccc2C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000820476497 1277188355 /nfs/dbraw/zinc/18/83/55/1277188355.db2.gz MHAHOBRBVWUDKQ-INIZCTEOSA-N -1 3 340.379 2.897 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(OCC2CCCCC2)cc1 ZINC000820477339 1277188553 /nfs/dbraw/zinc/18/85/53/1277188553.db2.gz XQDHBIIPBPMCOP-QGZVFWFLSA-N -1 3 346.427 2.756 20 30 EFEDHM C/C(=C\C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000820476500 1277188903 /nfs/dbraw/zinc/18/89/03/1277188903.db2.gz MIHGTHGDXWFERV-LXKVQUBZSA-N -1 3 342.317 2.605 20 30 EFEDHM Cc1ccc(-c2ccsc2C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000820481936 1277191452 /nfs/dbraw/zinc/19/14/52/1277191452.db2.gz BJXYZOZSQSFCHU-AWEZNQCLSA-N -1 3 330.409 2.834 20 30 EFEDHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820482955 1277191584 /nfs/dbraw/zinc/19/15/84/1277191584.db2.gz VDKOZXFWIXACBR-ZANVPECISA-N -1 3 345.226 2.668 20 30 EFEDHM COc1cccc(S([O-])=CC(=O)OCC2(C#N)CCCCC2)c1 ZINC000820539812 1277215117 /nfs/dbraw/zinc/21/51/17/1277215117.db2.gz UEQWJGZLQNWEAZ-HSZRJFAPSA-N -1 3 335.425 2.820 20 30 EFEDHM Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1cccc(F)c1[N+](=O)[O-] ZINC000790306240 1277440779 /nfs/dbraw/zinc/44/07/79/1277440779.db2.gz FKGXAVXJWCZEEZ-UHFFFAOYSA-N -1 3 332.266 2.950 20 30 EFEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3ccsc3C(N)=O)on2)c1 ZINC000790952236 1277876378 /nfs/dbraw/zinc/87/63/78/1277876378.db2.gz PXWAJDTZWZHGDO-UHFFFAOYSA-N -1 3 338.348 2.626 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)CCC[C@@H]2C(=O)OCC ZINC000844689347 1279168064 /nfs/dbraw/zinc/16/80/64/1279168064.db2.gz QTORUEKRPGQBRS-UWVGGRQHSA-N -1 3 339.417 2.754 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1CCSCC1 ZINC000747140200 1279812696 /nfs/dbraw/zinc/81/26/96/1279812696.db2.gz DKKXNHLVAJEBEY-UHFFFAOYSA-N -1 3 334.441 2.895 20 30 EFEDHM C#C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)cc1 ZINC000794059699 1280016709 /nfs/dbraw/zinc/01/67/09/1280016709.db2.gz JHSWLAMWIQPIDJ-ZDUSSCGKSA-N -1 3 328.734 2.855 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000846156877 1280041011 /nfs/dbraw/zinc/04/10/11/1280041011.db2.gz ZABFIVPKROAWGP-ZIAGYGMSSA-N -1 3 345.443 2.608 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)CC1(CC(=O)NO[C@@H](C)C=C)CCCCC1 ZINC000846546506 1280241147 /nfs/dbraw/zinc/24/11/47/1280241147.db2.gz WEOCDAFBWYVWSC-GJZGRUSLSA-N -1 3 338.448 2.962 20 30 EFEDHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000846538637 1280253460 /nfs/dbraw/zinc/25/34/60/1280253460.db2.gz SGMCQZQKMWDMKX-INIZCTEOSA-N -1 3 330.428 2.780 20 30 EFEDHM C=C(C)CO[N-]C(=O)CC1(CC(=O)NOCC(=C)C)CCCCC1 ZINC000846538328 1280253598 /nfs/dbraw/zinc/25/35/98/1280253598.db2.gz HIIMKTCRQGMDLK-UHFFFAOYSA-N -1 3 338.448 2.965 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)COC2CCCC2)c(C)c1[O-] ZINC001146766186 1281024980 /nfs/dbraw/zinc/02/49/80/1281024980.db2.gz NFLYZSJGPUAWRD-UHFFFAOYSA-N -1 3 346.383 2.647 20 30 EFEDHM COc1c([O-])c(C=NNc2nccnc2C2CCC2)ccc1[N+](=O)[O-] ZINC000807991723 1281485859 /nfs/dbraw/zinc/48/58/59/1281485859.db2.gz QNMRBZVRDCVXOP-UHFFFAOYSA-N -1 3 343.343 2.813 20 30 EFEDHM COc1c([O-])c(CN=Nc2nccnc2C2CCC2)ccc1[N+](=O)[O-] ZINC000807991723 1281485866 /nfs/dbraw/zinc/48/58/66/1281485866.db2.gz QNMRBZVRDCVXOP-UHFFFAOYSA-N -1 3 343.343 2.813 20 30 EFEDHM C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC001148498703 1281593481 /nfs/dbraw/zinc/59/34/81/1281593481.db2.gz LSGXFOHOABJWNA-FQEVSTJZSA-N -1 3 342.439 2.874 20 30 EFEDHM CC(=O)c1cc(C(=O)NCCCOc2ccccc2C#N)ccc1[O-] ZINC001148671612 1281726321 /nfs/dbraw/zinc/72/63/21/1281726321.db2.gz YWDQYUWDYLQRHT-UHFFFAOYSA-N -1 3 338.363 2.665 20 30 EFEDHM CC(C)Oc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1C#N ZINC001148768236 1281752826 /nfs/dbraw/zinc/75/28/26/1281752826.db2.gz DUYDKCBNWGTKBT-UHFFFAOYSA-N -1 3 339.277 2.735 20 30 EFEDHM CC(C)Oc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1C#N ZINC001148768236 1281752833 /nfs/dbraw/zinc/75/28/33/1281752833.db2.gz DUYDKCBNWGTKBT-UHFFFAOYSA-N -1 3 339.277 2.735 20 30 EFEDHM COc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)c(OC)c1OC ZINC001148842072 1281782261 /nfs/dbraw/zinc/78/22/61/1281782261.db2.gz XWOARHZURYQLPD-UHFFFAOYSA-N -1 3 328.324 2.542 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc2ccc(C(F)(F)F)cc2n1 ZINC001171363734 1282067440 /nfs/dbraw/zinc/06/74/40/1282067440.db2.gz OHPRYCRQEPMJMV-SDBXPKJASA-N -1 3 325.290 2.902 20 30 EFEDHM CNc1ccccc1CN=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1 ZINC000872351680 1287547468 /nfs/dbraw/zinc/54/74/68/1287547468.db2.gz MEKNGGPZAOHGIU-UHFFFAOYSA-N -1 3 339.403 2.775 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Br)cc(Cl)c1C#N ZINC001171366318 1282107919 /nfs/dbraw/zinc/10/79/19/1282107919.db2.gz VSKSSYGNLUQZDP-KGFZYKRKSA-N -1 3 344.596 2.622 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1nc2ccccc2s1 ZINC000810049694 1282778975 /nfs/dbraw/zinc/77/89/75/1282778975.db2.gz ZOCSCZRPNLQPPV-JTQLQIEISA-N -1 3 344.421 2.602 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2nnc3ccccc3n2)cc1 ZINC000810531071 1283323079 /nfs/dbraw/zinc/32/30/79/1283323079.db2.gz JOBGDBLPGGIHFB-CQSZACIVSA-N -1 3 345.362 2.548 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000810661123 1283509734 /nfs/dbraw/zinc/50/97/34/1283509734.db2.gz RPRYTIZXBXLWSL-UHFFFAOYSA-N -1 3 333.347 2.512 20 30 EFEDHM COCC1(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCC1 ZINC000811060427 1283997343 /nfs/dbraw/zinc/99/73/43/1283997343.db2.gz CLMQMHJBHHRSIT-UHFFFAOYSA-N -1 3 332.400 2.568 20 30 EFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000811184218 1284091495 /nfs/dbraw/zinc/09/14/95/1284091495.db2.gz JHOAHRWVRLSEQY-NSHDSACASA-N -1 3 345.376 2.585 20 30 EFEDHM COC(=O)c1ccc(F)c(COC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811185587 1284093399 /nfs/dbraw/zinc/09/33/99/1284093399.db2.gz PAUGHTFXMRJUCI-UHFFFAOYSA-N -1 3 329.283 2.547 20 30 EFEDHM Cc1ccccc1-c1noc(COC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000811184656 1284094178 /nfs/dbraw/zinc/09/41/78/1284094178.db2.gz BRTVBVKMDDXDGM-UHFFFAOYSA-N -1 3 335.319 2.979 20 30 EFEDHM COc1ccc(COC(=O)c2cc([O-])cc(C#N)c2)cc1[N+](=O)[O-] ZINC000811186065 1284094584 /nfs/dbraw/zinc/09/45/84/1284094584.db2.gz ASJOFUGBHHKCNV-UHFFFAOYSA-N -1 3 328.280 2.538 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](COC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000811185529 1284095395 /nfs/dbraw/zinc/09/53/95/1284095395.db2.gz NOGFIYYRXPSIEH-LBPRGKRZSA-N -1 3 346.383 2.678 20 30 EFEDHM CC(=O)[C@H](Cc1c(F)cccc1F)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187754 1284096490 /nfs/dbraw/zinc/09/64/90/1284096490.db2.gz WXRQZFYSTIQWCL-KRWDZBQOSA-N -1 3 345.301 2.899 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCc2noc(-c3cccs3)n2)c1 ZINC000811188086 1284096591 /nfs/dbraw/zinc/09/65/91/1284096591.db2.gz UXPWNWLUIUTPQA-UHFFFAOYSA-N -1 3 327.321 2.732 20 30 EFEDHM CC(=O)[C@@H](Cc1c(F)cccc1F)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811187755 1284096747 /nfs/dbraw/zinc/09/67/47/1284096747.db2.gz WXRQZFYSTIQWCL-QGZVFWFLSA-N -1 3 345.301 2.899 20 30 EFEDHM COc1ccc(COCCOC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811186984 1284096914 /nfs/dbraw/zinc/09/69/14/1284096914.db2.gz GHKFQLHMHLRLCO-UHFFFAOYSA-N -1 3 327.336 2.646 20 30 EFEDHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c(F)c1 ZINC000811188024 1284096984 /nfs/dbraw/zinc/09/69/84/1284096984.db2.gz SVLWIVOIOAACLF-NSHDSACASA-N -1 3 342.326 2.895 20 30 EFEDHM COc1ccc(OCCCOC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811188674 1284097587 /nfs/dbraw/zinc/09/75/87/1284097587.db2.gz STGGWXQLALRKEW-UHFFFAOYSA-N -1 3 327.336 2.898 20 30 EFEDHM Cc1ccc(-c2noc(COC(=O)c3cc([O-])cc(C#N)c3)n2)cc1 ZINC000811188728 1284097906 /nfs/dbraw/zinc/09/79/06/1284097906.db2.gz VTHSKYRUARIABI-UHFFFAOYSA-N -1 3 335.319 2.979 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000811188448 1284100082 /nfs/dbraw/zinc/10/00/82/1284100082.db2.gz KUYRBQZDUBCJOR-RHSMWYFYSA-N -1 3 342.395 2.602 20 30 EFEDHM COC(=O)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cccc(Cl)c1 ZINC000811188575 1284100193 /nfs/dbraw/zinc/10/01/93/1284100193.db2.gz PJNDKNGGUOSOOQ-HNNXBMFYSA-N -1 3 345.738 2.988 20 30 EFEDHM CCOC(=O)[C@H](Cc1ccccc1)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188327 1284100330 /nfs/dbraw/zinc/10/03/30/1284100330.db2.gz FYKZJPBMSVHYLD-KRWDZBQOSA-N -1 3 339.347 2.595 20 30 EFEDHM Cc1ncc(CO)c(/C=N\CCc2nc3ccccc3s2)c1[O-] ZINC000747712483 1284287781 /nfs/dbraw/zinc/28/77/81/1284287781.db2.gz AKSBRWRHBOSOFI-NVMNQCDNSA-N -1 3 327.409 2.859 20 30 EFEDHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000747713245 1284302455 /nfs/dbraw/zinc/30/24/55/1284302455.db2.gz QSPXZHYYQVSHOK-SVXRXWARSA-N -1 3 338.816 2.873 20 30 EFEDHM C=CCC1(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC001093664339 1284355357 /nfs/dbraw/zinc/35/53/57/1284355357.db2.gz YILMQUNBJQWVDA-UHFFFAOYSA-N -1 3 348.403 2.750 20 30 EFEDHM NC(=O)Cc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000811624785 1284442070 /nfs/dbraw/zinc/44/20/70/1284442070.db2.gz QPPPTPUDIPZZLT-VXLYETTFSA-N -1 3 347.212 2.802 20 30 EFEDHM Cc1cc(C)n(N=Cc2cc([O-])cc(C(F)(F)F)c2)c(=O)c1C#N ZINC000811635816 1284466254 /nfs/dbraw/zinc/46/62/54/1284466254.db2.gz MVFSAVYNCMJORY-UHFFFAOYSA-N -1 3 335.285 2.943 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811900734 1284739464 /nfs/dbraw/zinc/73/94/64/1284739464.db2.gz DWJFRIUGWZKWEU-CHWSQXEVSA-N -1 3 349.397 2.831 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000813334699 1285818601 /nfs/dbraw/zinc/81/86/01/1285818601.db2.gz VDJIOPBNLHQJHC-GOSISDBHSA-N -1 3 325.387 2.914 20 30 EFEDHM CCCOc1c(F)cc(F)c([N-]c2nc(C#N)c(C#N)nc2N)c1F ZINC001212647896 1286087751 /nfs/dbraw/zinc/08/77/51/1286087751.db2.gz AHRNSMQXIDYUBU-UHFFFAOYSA-N -1 3 348.288 2.752 20 30 EFEDHM COc1cc(C(=O)/C=C\c2cnn(CC(F)F)c2)c(OC)cc1[O-] ZINC000814189609 1286393408 /nfs/dbraw/zinc/39/34/08/1286393408.db2.gz HABBECXYJXKAFF-ARJAWSKDSA-N -1 3 338.310 2.767 20 30 EFEDHM Cc1cc2c(cc1C)C(=N[N-]S(=O)(=O)Cc1ccccc1)CO2 ZINC000814816736 1287048338 /nfs/dbraw/zinc/04/83/38/1287048338.db2.gz UDHRTVWXDSUXHF-UHFFFAOYSA-N -1 3 330.409 2.520 20 30 EFEDHM CC(C)[C@@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)CS1 ZINC000814859169 1287103185 /nfs/dbraw/zinc/10/31/85/1287103185.db2.gz OMKKGOWJDZGJLX-HNNXBMFYSA-N -1 3 326.487 2.666 20 30 EFEDHM CC(C)(C#N)[C@@H]1CCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000814859050 1287104387 /nfs/dbraw/zinc/10/43/87/1287104387.db2.gz MIUVRIOENGAQBG-OAHLLOKOSA-N -1 3 333.457 2.854 20 30 EFEDHM Cc1cc(C#N)cnc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000815907590 1287877302 /nfs/dbraw/zinc/87/73/02/1287877302.db2.gz FFEWMWSZNLGUPN-LBPRGKRZSA-N -1 3 338.754 2.876 20 30 EFEDHM C#CCOc1ccccc1[C@H](C)OC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000815941931 1287900354 /nfs/dbraw/zinc/90/03/54/1287900354.db2.gz SMOIGEGSQBDTQR-LBPRGKRZSA-N -1 3 327.336 2.731 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc2c(c1)CCCC2=O ZINC000815915500 1287906476 /nfs/dbraw/zinc/90/64/76/1287906476.db2.gz QNYSZYVVXCYQFR-HNNXBMFYSA-N -1 3 333.347 2.562 20 30 EFEDHM N#Cc1ccc([O-])c(Nc2ccc(CN3CCOCC3)cc2F)c1 ZINC001176490256 1288001316 /nfs/dbraw/zinc/00/13/16/1288001316.db2.gz YJJKXVQCRLLHQV-UHFFFAOYSA-N -1 3 327.359 2.979 20 30 EFEDHM O=C(CCc1ccc(-c2ccccc2F)o1)N[C@H]1CCCN([O-])C1=O ZINC000816755670 1288263195 /nfs/dbraw/zinc/26/31/95/1288263195.db2.gz GMFNKFCUVJZJRV-HNNXBMFYSA-N -1 3 346.358 2.515 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000816754897 1288264877 /nfs/dbraw/zinc/26/48/77/1288264877.db2.gz ORFOFKIVNDAYPW-OAHLLOKOSA-N -1 3 345.786 2.512 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2ccccc2)cc1 ZINC000816755795 1288265667 /nfs/dbraw/zinc/26/56/67/1288265667.db2.gz JNBANHKKXZUMCZ-MRXNPFEDSA-N -1 3 326.352 2.589 20 30 EFEDHM C[C@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816757003 1288266351 /nfs/dbraw/zinc/26/63/51/1288266351.db2.gz KDKRRORKHHUMED-MFKMUULPSA-N -1 3 344.333 2.695 20 30 EFEDHM Nc1ccc2c(c1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCCC2 ZINC000817323206 1288543042 /nfs/dbraw/zinc/54/30/42/1288543042.db2.gz KJLJUBZEOSZDHL-UHFFFAOYSA-N -1 3 343.452 2.819 20 30 EFEDHM C=CCC(CC=C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001110239431 1289625409 /nfs/dbraw/zinc/62/54/09/1289625409.db2.gz ADYSTOMRGUFQHW-UHFFFAOYSA-N -1 3 346.387 2.525 20 30 EFEDHM CCCOc1ccc([C@@H](O)C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001180835228 1289634905 /nfs/dbraw/zinc/63/49/05/1289634905.db2.gz KJMZSVHESKWXNB-QGZVFWFLSA-N -1 3 326.352 2.725 20 30 EFEDHM COc1ccc2cccc(C=C([O-])NC(=NC#N)c3ccncc3)c2c1 ZINC001181241664 1289741711 /nfs/dbraw/zinc/74/17/11/1289741711.db2.gz KSOYYRNKJPZUBS-UHFFFAOYSA-N -1 3 344.374 2.830 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C2(COC)CCC2)c(C)c1[O-] ZINC001181950384 1290013509 /nfs/dbraw/zinc/01/35/09/1290013509.db2.gz HXZUMCGVOWQLFI-UHFFFAOYSA-N -1 3 346.383 2.504 20 30 EFEDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(Cc2cc(C#N)ccc2[O-])C1 ZINC001232678774 1312759660 /nfs/dbraw/zinc/75/96/60/1312759660.db2.gz PFJJRDHTKBCEQU-CJNGLKHVSA-N -1 3 345.443 2.999 20 30 EFEDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(C#N)ccc2[O-])C1 ZINC001232679673 1312760907 /nfs/dbraw/zinc/76/09/07/1312760907.db2.gz QSTJUYQDMMEPTF-OAHLLOKOSA-N -1 3 331.416 2.705 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H](C)CSC)c(C)c1[O-] ZINC001183214216 1290310167 /nfs/dbraw/zinc/31/01/67/1290310167.db2.gz MPVJWYLIXJOQRI-SECBINFHSA-N -1 3 336.413 2.687 20 30 EFEDHM N#CC12CCC([N-]S(=O)(=O)c3cccnc3Cl)(CC1)CC2 ZINC001184898415 1290541182 /nfs/dbraw/zinc/54/11/82/1290541182.db2.gz PYCUCSUXVFMENJ-UHFFFAOYSA-N -1 3 325.821 2.630 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC000956715149 1290559795 /nfs/dbraw/zinc/55/97/95/1290559795.db2.gz NBMLPPFQXJMFPK-LJQANCHMSA-N -1 3 330.428 2.715 20 30 EFEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC001185154180 1290615069 /nfs/dbraw/zinc/61/50/69/1290615069.db2.gz OZSUMJGLWJUNJY-OAHLLOKOSA-N -1 3 340.326 2.788 20 30 EFEDHM C#C[C@H](C)NC(=O)CCCCCCCNC(=O)c1ccccc1[O-] ZINC001185937470 1290786325 /nfs/dbraw/zinc/78/63/25/1290786325.db2.gz URDACTQXMCPRCJ-HNNXBMFYSA-N -1 3 330.428 2.601 20 30 EFEDHM CCCCOC(=O)N[C@H](C(=O)Nc1ccc([O-])c(C#N)c1)C1CC1 ZINC001186297472 1290930630 /nfs/dbraw/zinc/93/06/30/1290930630.db2.gz DUTAWXWBMQCUIK-HNNXBMFYSA-N -1 3 331.372 2.507 20 30 EFEDHM C#C[C@@H]1CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232980282 1312824779 /nfs/dbraw/zinc/82/47/79/1312824779.db2.gz ONQMRNHLDWEAQY-LLVKDONJSA-N -1 3 341.192 2.842 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001187603223 1291196540 /nfs/dbraw/zinc/19/65/40/1291196540.db2.gz VEZDQXPTSMZTJW-KPZWWZAWSA-N -1 3 343.383 2.602 20 30 EFEDHM C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(Cl)ncc1[O-])C2 ZINC001233036166 1312839551 /nfs/dbraw/zinc/83/95/51/1312839551.db2.gz LXCOWFQASHYDEY-PBHICJAKSA-N -1 3 338.835 2.767 20 30 EFEDHM C=C[C@H]1C[C@]1([N-]S(=O)(=O)CCCCCCCC)C(=O)OCC ZINC001188029523 1291300809 /nfs/dbraw/zinc/30/08/09/1291300809.db2.gz STNZMMBUXSCXOD-GOEBONIOSA-N -1 3 331.478 2.774 20 30 EFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1ccc(-c2csnn2)cc1 ZINC001188923252 1291501319 /nfs/dbraw/zinc/50/13/19/1291501319.db2.gz SGRDPVPFFWXZBR-UHFFFAOYSA-N -1 3 339.380 2.644 20 30 EFEDHM COC(=O)c1scc(C#N)c1[N-]C(=O)c1cc(OC)ccc1C#N ZINC001189067101 1291566900 /nfs/dbraw/zinc/56/69/00/1291566900.db2.gz OQQFIPPBUNDLBB-UHFFFAOYSA-N -1 3 341.348 2.539 20 30 EFEDHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)c1 ZINC001189232404 1291625668 /nfs/dbraw/zinc/62/56/68/1291625668.db2.gz JSKRTOWMJNJXKX-UHFFFAOYSA-N -1 3 336.319 2.840 20 30 EFEDHM CC(C)Cn1ccc2cc(NC(=O)N[C@@H]3CCCN([O-])C3=O)ccc21 ZINC000878547023 1291711890 /nfs/dbraw/zinc/71/18/90/1291711890.db2.gz UBFQSFZJOAHFIW-OAHLLOKOSA-N -1 3 344.415 2.799 20 30 EFEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2cccc(F)c2F)cc1Cl ZINC001189425961 1291721800 /nfs/dbraw/zinc/72/18/00/1291721800.db2.gz LPCDNBMJKBQBTN-UHFFFAOYSA-N -1 3 343.742 2.827 20 30 EFEDHM N#C[C@H]([N-]S(=O)(=O)Cc1cc(F)ccc1F)c1ccc(F)cc1 ZINC001189706946 1291825836 /nfs/dbraw/zinc/82/58/36/1291825836.db2.gz SLAJLXBAUMPJBG-HNNXBMFYSA-N -1 3 340.326 2.788 20 30 EFEDHM CC(C)CCOc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000878855388 1291825890 /nfs/dbraw/zinc/82/58/90/1291825890.db2.gz JIVPDFCLZNAEJU-OAHLLOKOSA-N -1 3 335.404 2.613 20 30 EFEDHM Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878858388 1291828263 /nfs/dbraw/zinc/82/82/63/1291828263.db2.gz UGWXCAOGDXCYKZ-SNVBAGLBSA-N -1 3 331.294 2.516 20 30 EFEDHM Cc1c(NC(=O)N[C@H]2CCCN([O-])C2=O)cccc1C(F)(F)F ZINC000878937157 1291879531 /nfs/dbraw/zinc/87/95/31/1291879531.db2.gz RVHUOKFTLMMOJE-NSHDSACASA-N -1 3 331.294 2.516 20 30 EFEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)c1ccc(F)cc1 ZINC001189843261 1291904446 /nfs/dbraw/zinc/90/44/46/1291904446.db2.gz USVBKUKVTATBPI-OAHLLOKOSA-N -1 3 340.326 2.788 20 30 EFEDHM CCC(C)(C)OCc1ccccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879190761 1292010272 /nfs/dbraw/zinc/01/02/72/1292010272.db2.gz TZZFWMUNXCTNJP-HNNXBMFYSA-N -1 3 349.431 2.894 20 30 EFEDHM Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000879443264 1292134933 /nfs/dbraw/zinc/13/49/33/1292134933.db2.gz KREKVTYVZXWBPD-OAHLLOKOSA-N -1 3 340.383 2.559 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(=O)[nH]c3ccccc23)c1 ZINC001190616236 1292227420 /nfs/dbraw/zinc/22/74/20/1292227420.db2.gz MBQAMJFFJDYGSS-UHFFFAOYSA-N -1 3 343.339 2.752 20 30 EFEDHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2F)cs1 ZINC001190660973 1292250396 /nfs/dbraw/zinc/25/03/96/1292250396.db2.gz JZZSTQUDOFBOCB-MRVPVSSYSA-N -1 3 325.390 2.502 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c1 ZINC001190670478 1292255374 /nfs/dbraw/zinc/25/53/74/1292255374.db2.gz LCZCVOVXYOODNU-INIZCTEOSA-N -1 3 331.372 2.522 20 30 EFEDHM C[C@@]1([N-]C(=O)C(F)(F)F)CCN(CCC2(C#N)CCCCC2)C1 ZINC000879765385 1292261869 /nfs/dbraw/zinc/26/18/69/1292261869.db2.gz CSIQNNFKFSQUBX-CQSZACIVSA-N -1 3 331.382 2.993 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ncccc2F)C2CC2)c1 ZINC001190676366 1292282441 /nfs/dbraw/zinc/28/24/41/1292282441.db2.gz BDERGWBGHSFJSH-OAHLLOKOSA-N -1 3 349.362 2.661 20 30 EFEDHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190677375 1292282610 /nfs/dbraw/zinc/28/26/10/1292282610.db2.gz RRNIVQIXXLHMPQ-UHFFFAOYSA-N -1 3 347.415 2.657 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1F)Cc1ccccn1 ZINC001190677392 1292282906 /nfs/dbraw/zinc/28/29/06/1292282906.db2.gz NLGHVDSTTQFTLU-UHFFFAOYSA-N -1 3 347.415 2.640 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cnc3c(C(C)(C)C)cnn3c2)CC1 ZINC001190776369 1292310605 /nfs/dbraw/zinc/31/06/05/1292310605.db2.gz DKLPPQODGJIGBI-UHFFFAOYSA-N -1 3 334.445 2.877 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cnc3cc(C4CCC4)nn3c2)CC1 ZINC001190777244 1292311710 /nfs/dbraw/zinc/31/17/10/1292311710.db2.gz WQOPBLJHPJWMJJ-UHFFFAOYSA-N -1 3 332.429 2.847 20 30 EFEDHM CCOC[C@@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2c1cnn2CC ZINC001233384360 1312918528 /nfs/dbraw/zinc/91/85/28/1312918528.db2.gz SISCKIOTGMAOSX-INIZCTEOSA-N -1 3 340.427 2.616 20 30 EFEDHM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2[O-])CC12CC2 ZINC001233383826 1312919504 /nfs/dbraw/zinc/91/95/04/1312919504.db2.gz XQMRDFDYAFLHSY-MRXNPFEDSA-N -1 3 343.427 2.753 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cc(OCC)cc(C(=O)OC)c2)CC1 ZINC001190814094 1292345746 /nfs/dbraw/zinc/34/57/46/1292345746.db2.gz YEDLXNZXAJJSNJ-UHFFFAOYSA-N -1 3 339.413 2.722 20 30 EFEDHM CC(C)(C#N)c1cccc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC001190938130 1292378479 /nfs/dbraw/zinc/37/84/79/1292378479.db2.gz DHHCBCQVYWDFMJ-UHFFFAOYSA-N -1 3 332.367 2.920 20 30 EFEDHM CC(C)(C#N)c1cccc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC001190938130 1292378484 /nfs/dbraw/zinc/37/84/84/1292378484.db2.gz DHHCBCQVYWDFMJ-UHFFFAOYSA-N -1 3 332.367 2.920 20 30 EFEDHM N#Cc1ccc(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)c([O-])c1 ZINC001233388143 1312922127 /nfs/dbraw/zinc/92/21/27/1312922127.db2.gz NRITWYVMFICSEF-UHFFFAOYSA-N -1 3 347.418 2.715 20 30 EFEDHM CCOC(=O)c1nc(C(=O)[N-]c2ccc(F)c(C#N)c2F)cs1 ZINC001190958262 1292398091 /nfs/dbraw/zinc/39/80/91/1292398091.db2.gz GOQJEEALHVCMIO-UHFFFAOYSA-N -1 3 337.307 2.722 20 30 EFEDHM C=CCN1CC[C@@]2(CCCN(Cc3c(F)ccc([O-])c3F)C2)C1=O ZINC001233394716 1312923554 /nfs/dbraw/zinc/92/35/54/1312923554.db2.gz XMGCWAKUOHFYGH-GOSISDBHSA-N -1 3 336.382 2.671 20 30 EFEDHM C=CCOCc1nn(C)c2c1CN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233394615 1312923608 /nfs/dbraw/zinc/92/36/08/1312923608.db2.gz UFGXSIXWPJNPPE-UHFFFAOYSA-N -1 3 349.381 2.665 20 30 EFEDHM Cc1cccc2[n-]c(C(=O)N=C(N)c3ccc4ccccc4n3)nc21 ZINC001151993669 1292791365 /nfs/dbraw/zinc/79/13/65/1292791365.db2.gz DVAYAGDCUBLXKX-UHFFFAOYSA-N -1 3 329.363 2.965 20 30 EFEDHM Cc1cccc2nc(C(=O)N=C(N)c3ccc4ccccc4n3)[n-]c21 ZINC001151993669 1292791376 /nfs/dbraw/zinc/79/13/76/1292791376.db2.gz DVAYAGDCUBLXKX-UHFFFAOYSA-N -1 3 329.363 2.965 20 30 EFEDHM Cc1nc(NCCC[C@@H](C)NC(=O)c2ccccc2[O-])ccc1C#N ZINC001114842209 1292834201 /nfs/dbraw/zinc/83/42/01/1292834201.db2.gz NBWHIGSCSQHNNC-CYBMUJFWSA-N -1 3 338.411 2.978 20 30 EFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000903632484 1312973736 /nfs/dbraw/zinc/97/37/36/1312973736.db2.gz RZEIKVQIFQUUGO-HNNXBMFYSA-N -1 3 333.438 2.781 20 30 EFEDHM CC(C)(C)OC(=O)Nc1c[nH]nc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001192995329 1293121305 /nfs/dbraw/zinc/12/13/05/1293121305.db2.gz XOZPJZYGCMJMDD-UHFFFAOYSA-N -1 3 343.343 2.586 20 30 EFEDHM N#CCS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1Br ZINC001192971824 1293128995 /nfs/dbraw/zinc/12/89/95/1293128995.db2.gz AKYHEVWAWBSURV-UHFFFAOYSA-N -1 3 343.124 2.733 20 30 EFEDHM N#Cc1ccncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001192979605 1293130834 /nfs/dbraw/zinc/13/08/34/1293130834.db2.gz PIOWPNRBPMJDQY-UHFFFAOYSA-N -1 3 338.754 2.790 20 30 EFEDHM COc1ccc(OCc2cccc([N-]S(=O)(=O)[C@@H](C)C#N)c2)cc1 ZINC001193149058 1293185819 /nfs/dbraw/zinc/18/58/19/1293185819.db2.gz JQDWCLKIGJUUFC-ZDUSSCGKSA-N -1 3 346.408 2.928 20 30 EFEDHM COc1cc(OC)c(Cl)c([N-]S(=O)(=O)[C@H](C)C#N)c1Cl ZINC001193149750 1293187137 /nfs/dbraw/zinc/18/71/37/1293187137.db2.gz RWETZSRAKDGFKO-ZCFIWIBFSA-N -1 3 339.200 2.664 20 30 EFEDHM COc1cc(OC)c(Cl)c([N-]S(=O)(=O)[C@@H](C)C#N)c1Cl ZINC001193149749 1293187381 /nfs/dbraw/zinc/18/73/81/1293187381.db2.gz RWETZSRAKDGFKO-LURJTMIESA-N -1 3 339.200 2.664 20 30 EFEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(Br)c(=O)[n-]1 ZINC001193161395 1293190232 /nfs/dbraw/zinc/19/02/32/1293190232.db2.gz MSXQGGUBGWNHDE-CYBMUJFWSA-N -1 3 326.194 2.608 20 30 EFEDHM COc1cc(/C=N/[O-])ccc1OC1CCN(C(=O)OC(C)C)CC1 ZINC001233799102 1312994991 /nfs/dbraw/zinc/99/49/91/1312994991.db2.gz FURBVXDIGWIQDB-WOJGMQOQSA-N -1 3 336.388 2.892 20 30 EFEDHM COC(=O)c1cc(C#N)cc(NC(=O)c2cc([O-])c(O)c(Cl)c2)c1 ZINC001193625818 1293373137 /nfs/dbraw/zinc/37/31/37/1293373137.db2.gz UKCOYDJWTWTYND-UHFFFAOYSA-N -1 3 346.726 2.662 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000883047807 1293441864 /nfs/dbraw/zinc/44/18/64/1293441864.db2.gz BEHYBMYIZCBBNE-NEPJUHHUSA-N -1 3 337.288 2.849 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccccc2N)c(F)c1Cl ZINC001193931865 1293481259 /nfs/dbraw/zinc/48/12/59/1293481259.db2.gz HEVVOYCJUVWUHN-UHFFFAOYSA-N -1 3 325.752 2.734 20 30 EFEDHM N#Cc1cncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001194112895 1293520314 /nfs/dbraw/zinc/52/03/14/1293520314.db2.gz JYICUOOKZOYJJR-UHFFFAOYSA-N -1 3 338.754 2.790 20 30 EFEDHM Cc1ccc([N-]S(=O)(=O)Cc2noc3ccccc23)cc1C#N ZINC001194091285 1293528498 /nfs/dbraw/zinc/52/84/98/1293528498.db2.gz FCOMHIBNWNTXFQ-UHFFFAOYSA-N -1 3 327.365 2.950 20 30 EFEDHM C#CCN1CC[C@@]2(CCCN(Cc3c(F)cc([O-])cc3F)CC2)C1=O ZINC001273671391 1293539658 /nfs/dbraw/zinc/53/96/58/1293539658.db2.gz DXGPRMULMDGBPK-IBGZPJMESA-N -1 3 348.393 2.508 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc3nccnc32)c(Cl)c1 ZINC001194932863 1293761061 /nfs/dbraw/zinc/76/10/61/1293761061.db2.gz LGKYHYYMSXSEOG-UHFFFAOYSA-N -1 3 344.783 2.956 20 30 EFEDHM C#CCCN1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000101657021 1293804386 /nfs/dbraw/zinc/80/43/86/1293804386.db2.gz POWBDNXZDPXVOI-UHFFFAOYSA-N -1 3 348.446 2.764 20 30 EFEDHM CCc1ncc(Br)c(C(=O)[N-]c2ccsc2C#N)n1 ZINC001195155179 1293832791 /nfs/dbraw/zinc/83/27/91/1293832791.db2.gz YXBMVXPUFPLRQS-UHFFFAOYSA-N -1 3 337.202 2.987 20 30 EFEDHM COC(=O)c1scc(C#N)c1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195381347 1293914476 /nfs/dbraw/zinc/91/44/76/1293914476.db2.gz GPWZQBYNJJDFSW-UHFFFAOYSA-N -1 3 345.405 2.533 20 30 EFEDHM N#Cc1cc2cccnc2nc1[N-]C(=O)c1c(F)cncc1Cl ZINC001195468913 1293935665 /nfs/dbraw/zinc/93/56/65/1293935665.db2.gz ZIMVSTTWOMUGBE-UHFFFAOYSA-N -1 3 327.706 2.941 20 30 EFEDHM Cc1coc([N-]C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)c1C#N ZINC001195629890 1293977377 /nfs/dbraw/zinc/97/73/77/1293977377.db2.gz QIYWGTMAXSTSON-UHFFFAOYSA-N -1 3 343.343 2.849 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c([O-])c1 ZINC001195769450 1294020857 /nfs/dbraw/zinc/02/08/57/1294020857.db2.gz YIUGYFKWQSLUJW-KRWDZBQOSA-N -1 3 335.407 2.658 20 30 EFEDHM CC(C)[C@@H](NS(=O)(=O)c1ccc([O-])cc1)c1cccc(C#N)c1 ZINC001195825439 1294053489 /nfs/dbraw/zinc/05/34/89/1294053489.db2.gz RXVXZBAKTOPWLE-QGZVFWFLSA-N -1 3 330.409 2.939 20 30 EFEDHM COC(=O)c1cccc([O-])c1NC(=S)Nc1ccccc1C#N ZINC001196322976 1294196558 /nfs/dbraw/zinc/19/65/58/1294196558.db2.gz ZHHDYOLJRWBUPJ-UHFFFAOYSA-N -1 3 327.365 2.859 20 30 EFEDHM C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccc(C(=O)[O-])s1)CC2 ZINC001273718499 1294201173 /nfs/dbraw/zinc/20/11/73/1294201173.db2.gz FLODWCISCLGEJU-AWEZNQCLSA-N -1 3 348.468 2.741 20 30 EFEDHM CC[C@@H](C)n1nccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC001649166919 1294228178 /nfs/dbraw/zinc/22/81/78/1294228178.db2.gz CPDCTOOKHXXXAZ-OLZOCXBDSA-N -1 3 326.404 2.662 20 30 EFEDHM C#C[C@@H](C)Oc1c(C)cc2c(c1OC)C(=O)c1c([O-])cccc1C2=O ZINC001234127049 1313062632 /nfs/dbraw/zinc/06/26/32/1313062632.db2.gz NUAVSJRWBUSTOT-LLVKDONJSA-N -1 3 336.343 2.885 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)c1cscn1 ZINC001196698158 1294332715 /nfs/dbraw/zinc/33/27/15/1294332715.db2.gz PATKEPTUKQEJDO-MRVPVSSYSA-N -1 3 327.818 2.708 20 30 EFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1cccc([O-])c1C(N)=O ZINC001234152510 1313070064 /nfs/dbraw/zinc/07/00/64/1313070064.db2.gz JMOHHXIQERTWOK-GFCCVEGCSA-N -1 3 331.755 2.604 20 30 EFEDHM COc1ccc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c1 ZINC001196779399 1294375159 /nfs/dbraw/zinc/37/51/59/1294375159.db2.gz TWYVAQOOCOXPFB-LLVKDONJSA-N -1 3 334.372 2.745 20 30 EFEDHM C[C@](C#N)([N-]S(=O)(=O)Cc1cccnc1)c1ccccc1Cl ZINC001197476553 1294559688 /nfs/dbraw/zinc/55/96/88/1294559688.db2.gz LDSXQSMDTHEBKE-OAHLLOKOSA-N -1 3 335.816 2.593 20 30 EFEDHM Cn1cnc(C#N)c1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197726443 1294695720 /nfs/dbraw/zinc/69/57/20/1294695720.db2.gz SZFUBDDKTUJJIW-UHFFFAOYSA-N -1 3 345.211 2.540 20 30 EFEDHM N#Cc1ccccc1CN1CC[C@@H](Oc2nc3c(cccc3[O-])[nH]2)C1 ZINC001234446215 1313130752 /nfs/dbraw/zinc/13/07/52/1313130752.db2.gz FFKTTXXOKRBERY-OAHLLOKOSA-N -1 3 334.379 2.793 20 30 EFEDHM COC(=O)[C@@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1ccccc1 ZINC001234511139 1313142190 /nfs/dbraw/zinc/14/21/90/1313142190.db2.gz KCSFNJYOYOAWOW-HNNXBMFYSA-N -1 3 335.319 2.500 20 30 EFEDHM CC(C)Oc1cncc(COc2[n-]c(=O)nc3cccc(C#N)c32)c1 ZINC001234514330 1313142528 /nfs/dbraw/zinc/14/25/28/1313142528.db2.gz USKSFKWUZSCQIR-UHFFFAOYSA-N -1 3 336.351 2.968 20 30 EFEDHM CCOC(=O)[C@@H]1CCC[C@H](Oc2[n-]c(=O)nc3cccc(C#N)c32)C1 ZINC001234514478 1313142640 /nfs/dbraw/zinc/14/26/40/1313142640.db2.gz WMSYGZKOFHAWTB-YPMHNXCESA-N -1 3 341.367 2.708 20 30 EFEDHM N#Cc1cccc2nc(=O)[n-]c(OC[C@H]3CC[C@]4(CCCCO4)O3)c12 ZINC001234514502 1313142866 /nfs/dbraw/zinc/14/28/66/1313142866.db2.gz XAFOJDHFSKWVCK-ACJLOTCBSA-N -1 3 341.367 2.662 20 30 EFEDHM C=CCN1CC[C@]2(CCN(Cc3cc(Cl)c([O-])cc3F)C2)C1=O ZINC001274118065 1295475661 /nfs/dbraw/zinc/47/56/61/1295475661.db2.gz WNWGHGRQMZSRGM-KRWDZBQOSA-N -1 3 338.810 2.795 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCCN2Cc2sc(=O)[n-]c2Cl)C1=O ZINC001274174101 1295545738 /nfs/dbraw/zinc/54/57/38/1295545738.db2.gz FJMQRKKBHSHWEW-HNNXBMFYSA-N -1 3 341.864 2.645 20 30 EFEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000867321736 1295550790 /nfs/dbraw/zinc/55/07/90/1295550790.db2.gz VKOXEBYONHABSM-AWEZNQCLSA-N -1 3 346.811 2.518 20 30 EFEDHM C=C1CC(C)(C(=O)N2C[C@H](C)[C@@H](CNC(=O)c3ccccc3[O-])C2)C1 ZINC000959587741 1295573370 /nfs/dbraw/zinc/57/33/70/1295573370.db2.gz YPMWBOSDHLUCAR-GJZGRUSLSA-N -1 3 342.439 2.573 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(C(F)F)n1 ZINC000776077695 1296141401 /nfs/dbraw/zinc/14/14/01/1296141401.db2.gz PYSDQQMOZJVOHS-QMMMGPOBSA-N -1 3 338.701 2.893 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)cc1C#N ZINC001201287406 1296683089 /nfs/dbraw/zinc/68/30/89/1296683089.db2.gz JEYRGDRUCSQDTG-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C)CC3)cc1C#N ZINC001201323474 1296727849 /nfs/dbraw/zinc/72/78/49/1296727849.db2.gz GFFIRDYWCKOIQL-UHFFFAOYSA-N -1 3 341.436 2.655 20 30 EFEDHM Cc1cccc2c1[n-]cc(C(=O)N1CCc3ccc(C#N)cc31)c2=O ZINC000776182824 1296787232 /nfs/dbraw/zinc/78/72/32/1296787232.db2.gz OMQQMVDAHFBWFZ-UHFFFAOYSA-N -1 3 329.359 2.911 20 30 EFEDHM COC(=O)c1ccccc1NN=Cc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000776190177 1296858159 /nfs/dbraw/zinc/85/81/59/1296858159.db2.gz ZGQXZOCJKRPHLF-UHFFFAOYSA-N -1 3 345.311 2.542 20 30 EFEDHM CCN(C(=O)COC(=O)c1cc([O-])cc(C#N)c1)C1CCCCC1 ZINC000776274984 1297337883 /nfs/dbraw/zinc/33/78/83/1297337883.db2.gz QVLSMBMTNRBIGN-UHFFFAOYSA-N -1 3 330.384 2.602 20 30 EFEDHM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1ccc([O-])cc1F ZINC001206044109 1313396733 /nfs/dbraw/zinc/39/67/33/1313396733.db2.gz FDJBVYWKLYDZSR-LBPRGKRZSA-N -1 3 337.310 2.922 20 30 EFEDHM Cc1nc(N[C@@H](CNC(=O)c2ccccc2[O-])C2CC2)ccc1C#N ZINC001096581222 1313405376 /nfs/dbraw/zinc/40/53/76/1313405376.db2.gz FYDVGKQUPQGZJZ-INIZCTEOSA-N -1 3 336.395 2.588 20 30 EFEDHM O=C(CC/N=C/c1cc(Br)ccc1[O-])N1CCCCC1 ZINC000044012331 1297710697 /nfs/dbraw/zinc/71/06/97/1297710697.db2.gz RDBXJZUHZHFIDD-GZTJUZNOSA-N -1 3 339.233 2.976 20 30 EFEDHM COc1ccc(CN2CC[C@@H]3SC(=O)C=C3C2)c([O-])c1Cl ZINC001236801001 1313531326 /nfs/dbraw/zinc/53/13/26/1313531326.db2.gz BESBMDILZUOXNV-LBPRGKRZSA-N -1 3 325.817 2.828 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)c1nnc2ccccc2c1[O-] ZINC000109933671 1299350752 /nfs/dbraw/zinc/35/07/52/1299350752.db2.gz OIMFGLVXTMXSPU-UHFFFAOYSA-N -1 3 325.393 2.813 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852060382 1299532401 /nfs/dbraw/zinc/53/24/01/1299532401.db2.gz DTLKNSLVKJNDCL-JSGCOSHPSA-N -1 3 325.334 2.642 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@H]2C1 ZINC000953386708 1299621979 /nfs/dbraw/zinc/62/19/79/1299621979.db2.gz SCXDAPOLKDDYFP-ZBFHGGJFSA-N -1 3 342.439 2.667 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000953386654 1299622008 /nfs/dbraw/zinc/62/20/08/1299622008.db2.gz SCXDAPOLKDDYFP-GDBMZVCRSA-N -1 3 342.439 2.667 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000953386677 1299622384 /nfs/dbraw/zinc/62/23/84/1299622384.db2.gz SCXDAPOLKDDYFP-GOEBONIOSA-N -1 3 342.439 2.667 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000111561236 1300266614 /nfs/dbraw/zinc/26/66/14/1300266614.db2.gz MPYDKFIKLJSNKF-UHFFFAOYSA-N -1 3 346.390 2.847 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2cc(COC(C)(C)C)on2)c1[O-] ZINC000776721609 1300481096 /nfs/dbraw/zinc/48/10/96/1300481096.db2.gz IDHLITNRWFBAMY-LSCVHKIXSA-N -1 3 333.388 2.510 20 30 EFEDHM C#C[C@@](C)(CC)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000854697559 1300667118 /nfs/dbraw/zinc/66/71/18/1300667118.db2.gz GDHUTTKTAVRTKU-INIZCTEOSA-N -1 3 347.212 2.822 20 30 EFEDHM N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)cc1 ZINC001096823471 1313728293 /nfs/dbraw/zinc/72/82/93/1313728293.db2.gz LLFJXUFRYTXUPO-QRQLOZEOSA-N -1 3 347.418 2.799 20 30 EFEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000859426992 1301459381 /nfs/dbraw/zinc/45/93/81/1301459381.db2.gz OMARLPCSDCVXIY-JTQLQIEISA-N -1 3 336.240 2.700 20 30 EFEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000859426993 1301461393 /nfs/dbraw/zinc/46/13/93/1301461393.db2.gz OMARLPCSDCVXIY-SNVBAGLBSA-N -1 3 336.240 2.700 20 30 EFEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1 ZINC000860470751 1301817974 /nfs/dbraw/zinc/81/79/74/1301817974.db2.gz VBAJVFQDFNVNEJ-NSHDSACASA-N -1 3 330.775 2.826 20 30 EFEDHM COc1ccccc1NC(=S)NN=Cc1c(F)ccc([O-])c1F ZINC000794467860 1302506949 /nfs/dbraw/zinc/50/69/49/1302506949.db2.gz ZXKYIKJLQYAVRR-UHFFFAOYSA-N -1 3 337.351 3.000 20 30 EFEDHM C=C(Cl)C[C@H](NCc1cc(OC)cc2c1O[C@@H](C)C2)C(=O)[O-] ZINC000864518389 1302956691 /nfs/dbraw/zinc/95/66/91/1302956691.db2.gz INBULZCKEOQNOX-HZMBPMFUSA-N -1 3 325.792 2.704 20 30 EFEDHM COc1ccc(CC(=O)[N-]O[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000794719850 1303041623 /nfs/dbraw/zinc/04/16/23/1303041623.db2.gz JNTWYRAUZYIMIJ-ZDUSSCGKSA-N -1 3 340.379 2.927 20 30 EFEDHM C[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000965266062 1303093051 /nfs/dbraw/zinc/09/30/51/1303093051.db2.gz FYKRFKOZKGQIGU-DNVCBOLYSA-N -1 3 349.434 2.904 20 30 EFEDHM C[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000965267817 1303095617 /nfs/dbraw/zinc/09/56/17/1303095617.db2.gz LXVFUQXADYPOFV-DNVCBOLYSA-N -1 3 349.434 2.904 20 30 EFEDHM COc1ccc2[nH]cc(CC/N=C/c3c([O-])c(C)ncc3CO)c2c1 ZINC000038174595 1303130134 /nfs/dbraw/zinc/13/01/34/1303130134.db2.gz PSBBWOSAIRQURS-KEBDBYFISA-N -1 3 339.395 2.739 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001018599816 1313962955 /nfs/dbraw/zinc/96/29/55/1313962955.db2.gz VXEYZLUZYZAAHV-CABCVRRESA-N -1 3 344.455 2.819 20 30 EFEDHM COc1ccccc1-c1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)s1 ZINC000868562989 1304356561 /nfs/dbraw/zinc/35/65/61/1304356561.db2.gz NMKOUSVIKQXLES-LBPRGKRZSA-N -1 3 346.408 2.534 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C(F)F)c2)cc1 ZINC000870138867 1305164041 /nfs/dbraw/zinc/16/40/41/1305164041.db2.gz KEERHRIDURXDCA-CYBMUJFWSA-N -1 3 332.310 2.802 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066864115 1307350368 /nfs/dbraw/zinc/35/03/68/1307350368.db2.gz NYSFBNGHDHQMJA-LJQANCHMSA-N -1 3 332.444 2.915 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066870922 1307408541 /nfs/dbraw/zinc/40/85/41/1307408541.db2.gz REFPSGBRPHCDFU-HNNXBMFYSA-N -1 3 332.444 2.915 20 30 EFEDHM C=CCC(C)(C)C(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066871034 1307409189 /nfs/dbraw/zinc/40/91/89/1307409189.db2.gz VNHPWZYDLOCPCG-UHFFFAOYSA-N -1 3 332.444 2.915 20 30 EFEDHM Cn1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1=O ZINC000900096336 1307655784 /nfs/dbraw/zinc/65/57/84/1307655784.db2.gz ALHAVHHSZXPDLX-UHFFFAOYSA-N -1 3 327.167 2.724 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001007900457 1307694570 /nfs/dbraw/zinc/69/45/70/1307694570.db2.gz OJPHKEVPBJHNDV-OXQOHEQNSA-N -1 3 344.455 2.961 20 30 EFEDHM COC(=O)C1=Cc2cc(-c3ccc([O-])c(C#N)c3)cc(OC)c2OC1 ZINC001242566146 1314215949 /nfs/dbraw/zinc/21/59/49/1314215949.db2.gz KOJYOKDTXZBJRP-UHFFFAOYSA-N -1 3 337.331 2.888 20 30 EFEDHM C=C(Cl)CN1CC[C@@]2(C1)CCCCN(C(=O)c1ncccc1[O-])C2 ZINC001045931890 1307924574 /nfs/dbraw/zinc/92/45/74/1307924574.db2.gz AAAWKPWUHPXTJM-GOSISDBHSA-N -1 3 349.862 2.858 20 30 EFEDHM C=CCCCC(=O)NCCCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC001096071112 1308226968 /nfs/dbraw/zinc/22/69/68/1308226968.db2.gz ZRUDHZGPSQEGJY-UHFFFAOYSA-N -1 3 348.403 2.527 20 30 EFEDHM O=C([C@@H]1CCN(Cc2ccccc2)C1=O)N([O-])Cc1ccc(F)cc1 ZINC000900677994 1308513898 /nfs/dbraw/zinc/51/38/98/1308513898.db2.gz DZVLVHVVBPWACV-QGZVFWFLSA-N -1 3 342.370 2.592 20 30 EFEDHM CN1CCc2c(C#N)c(Nc3ccc([O-])c([N+](=O)[O-])c3)sc2C1 ZINC001210393157 1314325795 /nfs/dbraw/zinc/32/57/95/1314325795.db2.gz PSQRJMLYBCXLOZ-UHFFFAOYSA-N -1 3 330.369 2.965 20 30 EFEDHM CC(=NN[C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1[O-] ZINC000901343095 1310185218 /nfs/dbraw/zinc/18/52/18/1310185218.db2.gz WDESMHOWQCCUFW-TZMCWYRMSA-N -1 3 327.222 2.772 20 30 EFEDHM O=C(CCn1cc([N+](=O)[O-])cn1)N([O-])Cc1cccc2ccccc21 ZINC000901369974 1310250800 /nfs/dbraw/zinc/25/08/00/1310250800.db2.gz MVEBXIDGSYNFDV-UHFFFAOYSA-N -1 3 340.339 2.753 20 30 EFEDHM O=C(c1cn(Cc2cccs2)nn1)N([O-])Cc1ccc(F)cc1 ZINC000901371928 1310254222 /nfs/dbraw/zinc/25/42/22/1310254222.db2.gz KWFOVFGUZNOECG-UHFFFAOYSA-N -1 3 332.360 2.559 20 30 EFEDHM Cn1nnc2c1nccc2C(=O)N([O-])Cc1cccc2ccccc21 ZINC000901371806 1310254836 /nfs/dbraw/zinc/25/48/36/1310254836.db2.gz ZGKFEKQDDHMYGJ-UHFFFAOYSA-N -1 3 333.351 2.548 20 30 EFEDHM C=C1c2ccccc2C(=O)N1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375696 1310265238 /nfs/dbraw/zinc/26/52/38/1310265238.db2.gz KLGMXIHYEQKWNA-UHFFFAOYSA-N -1 3 326.327 2.670 20 30 EFEDHM O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N([O-])Cc1ccc(F)cc1 ZINC000901376276 1310267819 /nfs/dbraw/zinc/26/78/19/1310267819.db2.gz SAQUPWCCFSSIQN-UHFFFAOYSA-N -1 3 348.286 2.537 20 30 EFEDHM Cn1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)ccc1=O ZINC000901380171 1310279288 /nfs/dbraw/zinc/27/92/88/1310279288.db2.gz NLPRXGBQTOFPDM-UHFFFAOYSA-N -1 3 327.167 2.724 20 30 EFEDHM C#CCOc1ccc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cc1 ZINC000901785512 1311038859 /nfs/dbraw/zinc/03/88/59/1311038859.db2.gz FMVYKOQABHXKLC-HNNXBMFYSA-N -1 3 327.302 2.538 20 30 EFEDHM C=CCOC[C@@H](NCc1cn(-c2ccc(Cl)cc2)nc1C)C(=O)[O-] ZINC000901808977 1311054830 /nfs/dbraw/zinc/05/48/30/1311054830.db2.gz AVAWVPPXOAQYMG-MRXNPFEDSA-N -1 3 349.818 2.580 20 30 EFEDHM COc1cc(C=NNC(=S)N[C@H](C)C2CC2)cc(Cl)c1[O-] ZINC000751532121 1311122338 /nfs/dbraw/zinc/12/23/38/1311122338.db2.gz VYXHDBRYIDTYFN-MRVPVSSYSA-N -1 3 327.837 2.651 20 30 EFEDHM Cc1nsc(N[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)c1C#N ZINC001067036795 1311141524 /nfs/dbraw/zinc/14/15/24/1311141524.db2.gz DQAZABJCYUTULS-YGRLFVJLSA-N -1 3 342.424 2.601 20 30 EFEDHM O=[N+]([O-])c1cccc(F)c1N1CC[C@H](O/C(=N\[O-])c2ccccn2)C1 ZINC001223975870 1311327875 /nfs/dbraw/zinc/32/78/75/1311327875.db2.gz HTQKAVWOGYRBMA-WTAXECHQSA-N -1 3 346.318 2.560 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H](O/C(=N\[O-])c2ccccn2)[C@@H](F)C1 ZINC001223978423 1311328046 /nfs/dbraw/zinc/32/80/46/1311328046.db2.gz RWIMKWXDINZKFZ-YARXPZPJSA-N -1 3 339.367 2.582 20 30 EFEDHM CCOC(=O)[C@@H]1C[C@H](O/C(=N\[O-])c2ccccn2)c2ccccc2O1 ZINC001223982093 1311328658 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2.786 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncnc2cc(Cl)c(Cl)cc21 ZINC001160176026 1311659742 /nfs/dbraw/zinc/65/97/42/1311659742.db2.gz CWHZMVXJLRYMFA-KGFZYKRKSA-N -1 3 327.171 2.585 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(-c2ccccc2)nc2ccccc21 ZINC001160175092 1311659771 /nfs/dbraw/zinc/65/97/71/1311659771.db2.gz YUYSUVMNSRWECE-LRDDRELGSA-N -1 3 334.379 2.945 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001160174994 1311659838 /nfs/dbraw/zinc/65/98/38/1311659838.db2.gz UABSJNJZUULFDV-SDBXPKJASA-N -1 3 341.745 2.763 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nnc(Cc2ccccc2)c2ccccc21 ZINC001160176078 1311659896 /nfs/dbraw/zinc/65/98/96/1311659896.db2.gz DYGPPBMAEQZPKI-UGSOOPFHSA-N -1 3 348.406 2.869 20 30 EFEDHM Cc1c(F)ccc2nc(Cl)c(C#N)c(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c12 ZINC001160179283 1311660241 /nfs/dbraw/zinc/66/02/41/1311660241.db2.gz VTXGTBMHWJYYKD-CPFSXVBKSA-N -1 3 348.765 2.855 20 30 EFEDHM Cc1cccc(Oc2nc(Cl)ncc2N[C@@H]2C(=O)N([O-])C[C@@H]2C)c1 ZINC001160178694 1311660453 /nfs/dbraw/zinc/66/04/53/1311660453.db2.gz LOBBYWDOWYXZAC-GWCFXTLKSA-N -1 3 348.790 2.879 20 30 EFEDHM C=CCOCC(COCC=C)Oc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001226533492 1311684040 /nfs/dbraw/zinc/68/40/40/1311684040.db2.gz GJQUCWBVJJHDMF-UHFFFAOYSA-N -1 3 346.379 2.960 20 30 EFEDHM N#Cc1ccc([O-])c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)c1 ZINC001227348883 1311796824 /nfs/dbraw/zinc/79/68/24/1311796824.db2.gz DCWWGUKMORXTRT-ZDUSSCGKSA-N -1 3 325.324 2.830 20 30 EFEDHM CC[C@H](C#CC(=O)OC)Oc1c([O-])cc(Br)cc1F ZINC001227591352 1311825848 /nfs/dbraw/zinc/82/58/48/1311825848.db2.gz TWNHYMICXZEPKF-SECBINFHSA-N -1 3 331.137 2.628 20 30 EFEDHM C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ccc([O-])c(C#N)c2C#N)C1 ZINC001227623407 1311832687 /nfs/dbraw/zinc/83/26/87/1311832687.db2.gz QYIZVVFTQMLLCL-UONOGXRCSA-N -1 3 334.379 2.745 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2ncc(Cl)cc2[O-])C1 ZINC001227981487 1311884017 /nfs/dbraw/zinc/88/40/17/1311884017.db2.gz WQXBYGDIYGVTGV-BXKDBHETSA-N 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/nfs/dbraw/zinc/08/54/96/1312085496.db2.gz OFJQRMWVXDULIG-LBPRGKRZSA-N -1 3 329.722 2.709 20 30 EFEDHM Cc1cc(O[C@H]2C=CC(=O)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542830 1312111432 /nfs/dbraw/zinc/11/14/32/1312111432.db2.gz QJMAMTZFTOQOIK-LBPRGKRZSA-N -1 3 334.327 2.752 20 30 EFEDHM Cc1cc2n[n-]c(NC(=O)c3ccc(C(C)(C)C#N)cc3)c2c(=O)n1C ZINC001162761703 1312169242 /nfs/dbraw/zinc/16/92/42/1312169242.db2.gz PGWVICRQRDVYON-UHFFFAOYSA-N -1 3 349.394 2.624 20 30 EFEDHM C#CC[C@@H](CC)Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230187462 1312201543 /nfs/dbraw/zinc/20/15/43/1312201543.db2.gz ZEBXKAZAIQGEPG-MRXNPFEDSA-N -1 3 337.423 2.921 20 30 EFEDHM C#CC[C@H](CC)Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230187461 1312201610 /nfs/dbraw/zinc/20/16/10/1312201610.db2.gz ZEBXKAZAIQGEPG-INIZCTEOSA-N -1 3 337.423 2.921 20 30 EFEDHM CCC#C[C@H](C)Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230189409 1312201948 /nfs/dbraw/zinc/20/19/48/1312201948.db2.gz QPTRPBZSLDKEII-HNNXBMFYSA-N -1 3 337.423 2.921 20 30 EFEDHM [O-]/N=C/c1cc(NCc2noc3c2CNCC3)cc(C(F)(F)F)c1 ZINC001163134270 1312248561 /nfs/dbraw/zinc/24/85/61/1312248561.db2.gz MWEKCSLNKFSWKM-AERZKKPOSA-N -1 3 340.305 2.759 20 30 EFEDHM CN(C)c1ncc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cn1 ZINC001163766237 1312380688 /nfs/dbraw/zinc/38/06/88/1312380688.db2.gz YXFJZZUTULXTMU-UHFFFAOYSA-N -1 3 341.293 2.689 20 30 EFEDHM COc1cc(C)c(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nn1 ZINC001163765023 1312380750 /nfs/dbraw/zinc/38/07/50/1312380750.db2.gz JYLAKJCNEHIFIA-UHFFFAOYSA-N -1 3 342.277 2.940 20 30 EFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231076182 1312423849 /nfs/dbraw/zinc/42/38/49/1312423849.db2.gz JELMSDUCJVJKJW-CQSZACIVSA-N -1 3 340.770 2.980 20 30 EFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076182 1312423852 /nfs/dbraw/zinc/42/38/52/1312423852.db2.gz JELMSDUCJVJKJW-CQSZACIVSA-N -1 3 340.770 2.980 20 30 EFEDHM C#C[C@H](Oc1cc(=O)[n-]c(Cl)c1C(=O)OCC)c1ccncc1 ZINC001231089709 1312428511 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COC(=O)c1ccc([O-])cc1NC(=S)Nc1ccc(C#N)cc1 ZINC001245934281 1314551773 /nfs/dbraw/zinc/55/17/73/1314551773.db2.gz VDGHVQCFQWERRI-UHFFFAOYSA-N -1 3 327.365 2.859 20 30 EFEDHM Nc1ccccc1C(=Nc1cc(OC(F)(F)F)ccc1[O-])NO ZINC001214382036 1314685249 /nfs/dbraw/zinc/68/52/49/1314685249.db2.gz DQWIHOWMCNQECQ-UHFFFAOYSA-N -1 3 327.262 2.930 20 30 EFEDHM C=CCCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001053295319 1314811812 /nfs/dbraw/zinc/81/18/12/1314811812.db2.gz YLBYLOFKERYBPB-GJZGRUSLSA-N -1 3 330.428 2.573 20 30 EFEDHM COc1nccc(SC)c1[N-]c1nc(C#N)c(C#N)nc1Cl ZINC001215929334 1314892326 /nfs/dbraw/zinc/89/23/26/1314892326.db2.gz IMLMWEWYCYZORY-UHFFFAOYSA-N -1 3 332.776 2.742 20 30 EFEDHM N#Cc1ccc([O-])c(Nc2cccc(CN3CCOCC3)c2F)c1 ZINC001216219627 1314928776 /nfs/dbraw/zinc/92/87/76/1314928776.db2.gz QHGPDFUPMDUSIF-UHFFFAOYSA-N -1 3 327.359 2.979 20 30 EFEDHM Cc1cc(-c2noc(CNC(=O)c3ccccc3[O-])n2)ccc1C#N ZINC001248499585 1314939533 /nfs/dbraw/zinc/93/95/33/1314939533.db2.gz IAUTVNSNVFYBAL-UHFFFAOYSA-N -1 3 334.335 2.552 20 30 EFEDHM C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001053648054 1315007122 /nfs/dbraw/zinc/00/71/22/1315007122.db2.gz MZUQJQDNIKZIHP-MUJYYYPQSA-N -1 3 342.439 2.858 20 30 EFEDHM Cc1cc(-c2noc(-c3cccc4c3[N-]C(=O)C4=O)n2)ccc1C#N ZINC001217354306 1315064359 /nfs/dbraw/zinc/06/43/59/1315064359.db2.gz DOUGCCLFBYKRID-UHFFFAOYSA-N -1 3 330.303 2.719 20 30 EFEDHM Cc1ccc(C#N)c(Nc2ccc(S(=O)(=O)N(C)C)cc2[O-])c1 ZINC001249900893 1315152528 /nfs/dbraw/zinc/15/25/28/1315152528.db2.gz LDAYGGXLPGOEPY-UHFFFAOYSA-N -1 3 331.397 2.566 20 30 EFEDHM C#CCCN1Cc2ccccc2C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001054032179 1315191955 /nfs/dbraw/zinc/19/19/55/1315191955.db2.gz UGQCPYJAWKSQDQ-SFHVURJKSA-N -1 3 334.419 2.572 20 30 EFEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccc(F)cc2)c1F ZINC001251667923 1315364580 /nfs/dbraw/zinc/36/45/80/1315364580.db2.gz ALLNBBMYIYPVDI-UHFFFAOYSA-N -1 3 330.262 2.915 20 30 EFEDHM C#CC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000826733387 1315533606 /nfs/dbraw/zinc/53/36/06/1315533606.db2.gz YCSLFZZMMNEJGV-UHFFFAOYSA-N -1 3 337.217 2.710 20 30 EFEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001253064693 1315562156 /nfs/dbraw/zinc/56/21/56/1315562156.db2.gz GYKVXCFRJSJXIJ-TYZQSYOASA-N -1 3 337.441 2.721 20 30 EFEDHM N#Cc1cc(F)cc(-c2cn(-c3ccc([O-])cc3[N+](=O)[O-])nn2)c1 ZINC001254167130 1315677704 /nfs/dbraw/zinc/67/77/04/1315677704.db2.gz GCYAACDHHWGZEA-UHFFFAOYSA-N -1 3 325.259 2.559 20 30 EFEDHM C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001052034580 1315901932 /nfs/dbraw/zinc/90/19/32/1315901932.db2.gz SAAGVSJAUSMAME-LSDHHAIUSA-N -1 3 344.455 2.819 20 30 EFEDHM C=CCC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001052034578 1315902066 /nfs/dbraw/zinc/90/20/66/1315902066.db2.gz SAAGVSJAUSMAME-GJZGRUSLSA-N -1 3 344.455 2.819 20 30 EFEDHM C=C(C)CCC(=O)NC[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001052034486 1315902127 /nfs/dbraw/zinc/90/21/27/1315902127.db2.gz QZRUISLYBLGJBF-GJZGRUSLSA-N -1 3 330.428 2.573 20 30 EFEDHM C=CCC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001052034579 1315902229 /nfs/dbraw/zinc/90/22/29/1315902229.db2.gz SAAGVSJAUSMAME-HUUCEWRRSA-N -1 3 344.455 2.819 20 30 EFEDHM O=C(/C=C/[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F ZINC001256672717 1315979380 /nfs/dbraw/zinc/97/93/80/1315979380.db2.gz RUVDTKNLKRLNSL-AATRIKPKSA-N -1 3 347.236 2.629 20 30 EFEDHM N#Cc1cc([N-]C(=O)c2ncc(Br)cn2)c(F)cc1F ZINC001462286270 1316065417 /nfs/dbraw/zinc/06/54/17/1316065417.db2.gz WZXHDLZSIMNAHD-UHFFFAOYSA-N -1 3 339.099 2.641 20 30 EFEDHM Cc1nc(N[C@H]2CCN(C(=O)c3ccccc3[O-])[C@H]2C)ccc1C#N ZINC001040039164 1316070919 /nfs/dbraw/zinc/07/09/19/1316070919.db2.gz JKVIVXCTHYYLAL-BBRMVZONSA-N -1 3 336.395 2.682 20 30 EFEDHM CCCCCCCCC[C@@H](C)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001258231824 1316133946 /nfs/dbraw/zinc/13/39/46/1316133946.db2.gz VEVQTRASAWIHEJ-RDBSUJKOSA-N -1 3 334.482 2.507 20 30 EFEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1csc(C#N)c1)C(=O)C2 ZINC001258967833 1316198286 /nfs/dbraw/zinc/19/82/86/1316198286.db2.gz JQSRRDRJSIEZMU-BONVTDFDSA-N -1 3 338.454 2.757 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1F ZINC001259082321 1316206834 /nfs/dbraw/zinc/20/68/34/1316206834.db2.gz VBWKBBUPEUKOBX-UHFFFAOYSA-N -1 3 344.289 2.593 20 30 EFEDHM Cc1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Cl)n1 ZINC001259107379 1316210639 /nfs/dbraw/zinc/21/06/39/1316210639.db2.gz TVUMGIIGSWXKDB-UHFFFAOYSA-N -1 3 343.195 2.764 20 30 EFEDHM COc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(C#N)c2F)c1 ZINC001259191377 1316217938 /nfs/dbraw/zinc/21/79/38/1316217938.db2.gz WIZZOTCKEYRJSN-UHFFFAOYSA-N -1 3 342.298 2.785 20 30 EFEDHM C#CCCCCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001070446435 1316242874 /nfs/dbraw/zinc/24/28/74/1316242874.db2.gz FQJPKIGKNBTLQP-MRXNPFEDSA-N -1 3 342.439 2.697 20 30 EFEDHM C#CCCC1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)N=N1 ZINC001259516318 1316254852 /nfs/dbraw/zinc/25/48/52/1316254852.db2.gz LMOOLYAYLGSGJM-UHFFFAOYSA-N -1 3 329.784 2.723 20 30 EFEDHM C=CCS(=O)(=O)[N-]c1ccc(C(=O)OCC)c(C(F)(F)F)c1 ZINC001259931743 1316299530 /nfs/dbraw/zinc/29/95/30/1316299530.db2.gz AECJMODLSMQOIF-UHFFFAOYSA-N -1 3 337.319 2.810 20 30 EFEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1C)[C@@H](C)CC ZINC001260024657 1316308156 /nfs/dbraw/zinc/30/81/56/1316308156.db2.gz ZNGZZOYZIVZGOT-BBRMVZONSA-N -1 3 339.457 2.558 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cnc(Cl)c(F)c2)cc1 ZINC001260038609 1316310039 /nfs/dbraw/zinc/31/00/39/1316310039.db2.gz ONGBOMDDUOZERX-UHFFFAOYSA-N -1 3 325.752 2.688 20 30 EFEDHM CC(C)(S)C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001260380795 1316335934 /nfs/dbraw/zinc/33/59/34/1316335934.db2.gz BEHFAGZSQMRWFA-UHFFFAOYSA-N -1 3 342.255 2.575 20 30 EFEDHM CC(C)(S)C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261012196 1316384457 /nfs/dbraw/zinc/38/44/57/1316384457.db2.gz QJTRUBWPXKJPJE-UHFFFAOYSA-N -1 3 331.356 2.831 20 30 EFEDHM N#Cc1ccccc1CN1CCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001072491550 1316390473 /nfs/dbraw/zinc/39/04/73/1316390473.db2.gz ZMFKTNUFOPQHLO-UHFFFAOYSA-N -1 3 347.418 2.612 20 30 EFEDHM C=CCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001073728140 1316469094 /nfs/dbraw/zinc/46/90/94/1316469094.db2.gz NRKLGCFNCJBUSY-GDBMZVCRSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001073728141 1316469111 /nfs/dbraw/zinc/46/91/11/1316469111.db2.gz NRKLGCFNCJBUSY-GOEBONIOSA-N -1 3 330.428 2.715 20 30 EFEDHM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001073727707 1316469268 /nfs/dbraw/zinc/46/92/68/1316469268.db2.gz IAFBYBDKBUHHPD-ZBFHGGJFSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCc2cc(C)ccc2C1 ZINC001262962741 1316509283 /nfs/dbraw/zinc/50/92/83/1316509283.db2.gz VPYYINZBPSXKDG-UHFFFAOYSA-N -1 3 337.383 2.696 20 30 EFEDHM C=CCN(Cc1cccs1)c1nnc(-c2c[n-]oc2=O)n1CC ZINC001263029849 1316515337 /nfs/dbraw/zinc/51/53/37/1316515337.db2.gz ZOVQHAHTEYDALM-UHFFFAOYSA-N -1 3 331.401 2.913 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccnc(Cl)c2)c1 ZINC001263375749 1316539147 /nfs/dbraw/zinc/53/91/47/1316539147.db2.gz XHJHQONYKFUUHV-ZDUSSCGKSA-N -1 3 329.743 2.705 20 30 EFEDHM N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C23CCC3)cn1 ZINC001041550079 1316587037 /nfs/dbraw/zinc/58/70/37/1316587037.db2.gz VYRWALJZJPJNIG-ZWKOTPCHSA-N -1 3 348.406 2.812 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001290405825 1321910512 /nfs/dbraw/zinc/91/05/12/1321910512.db2.gz XOAOAWZHBOMBPF-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001290405825 1321910514 /nfs/dbraw/zinc/91/05/14/1321910514.db2.gz XOAOAWZHBOMBPF-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM CCCCCn1cc(C/N=C2/[N-]S(=O)(=O)c3ccccc32)c(C)n1 ZINC001320440878 1329132780 /nfs/dbraw/zinc/13/27/80/1329132780.db2.gz JCXHHILKYLHTJA-UHFFFAOYSA-N -1 3 346.456 2.620 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)cc1 ZINC001322285690 1329443466 /nfs/dbraw/zinc/44/34/66/1329443466.db2.gz GTMAZDQIQPGIMD-UHFFFAOYSA-N -1 3 326.377 2.565 20 30 EFEDHM C[C@@H]1CCc2nc(C=N[N-]S(=O)(=O)Cc3ccccc3)sc2C1 ZINC001324202256 1329607709 /nfs/dbraw/zinc/60/77/09/1329607709.db2.gz OIYXMIIFJWHXAK-GFCCVEGCSA-N -1 3 349.481 2.721 20 30 EFEDHM C#CCOCCN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC001325994417 1329729417 /nfs/dbraw/zinc/72/94/17/1329729417.db2.gz IPHFGWDUTQAMJN-UHFFFAOYSA-N -1 3 343.408 2.739 20 30 EFEDHM C=CC[C@H](NCc1cc(Br)ccc1[O-])C(=O)OCC ZINC001326382985 1329751833 /nfs/dbraw/zinc/75/18/33/1329751833.db2.gz UKRPFGLXERLCMW-LBPRGKRZSA-N -1 3 328.206 2.752 20 30 EFEDHM CC#CCCCC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001329287502 1330690171 /nfs/dbraw/zinc/69/01/71/1330690171.db2.gz KHQMNCVXIIDUGM-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM CC#CCCCC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001329287502 1330690175 /nfs/dbraw/zinc/69/01/75/1330690175.db2.gz KHQMNCVXIIDUGM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/28/72/11/1332287211.db2.gz NVYUOWVVLCVHJF-ZDUSSCGKSA-N -1 3 328.416 2.531 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](CC(C)C)C1 ZINC001342026629 1332295968 /nfs/dbraw/zinc/29/59/68/1332295968.db2.gz ZXXBMQDMKDICCW-AWEZNQCLSA-N -1 3 342.447 2.889 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](OCCC)CC1 ZINC001342198283 1332316367 /nfs/dbraw/zinc/31/63/67/1332316367.db2.gz PVCNOQHQKSQSEG-CYBMUJFWSA-N -1 3 347.419 2.610 20 30 EFEDHM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1nc(N)c2ccccc2n1 ZINC001343477056 1332349649 /nfs/dbraw/zinc/34/96/49/1332349649.db2.gz IETUXHDGPFVHCA-LLVKDONJSA-N -1 3 345.318 2.549 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001343581807 1332359988 /nfs/dbraw/zinc/35/99/88/1332359988.db2.gz VGTFNHADUGHRCE-UKRRQHHQSA-N -1 3 340.431 2.786 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(C)C ZINC001344334214 1332443122 /nfs/dbraw/zinc/44/31/22/1332443122.db2.gz GVLFJSADFUQLQM-MRVPVSSYSA-N -1 3 340.754 2.690 20 30 EFEDHM COCc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001344539265 1332461909 /nfs/dbraw/zinc/46/19/09/1332461909.db2.gz DCEFFOXAGFCCAI-HNNXBMFYSA-N -1 3 332.363 2.848 20 30 EFEDHM C=CC1CCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC2CC2)CC1 ZINC001345199882 1332520068 /nfs/dbraw/zinc/52/00/68/1332520068.db2.gz AQSVDEFXIYQXDN-UHFFFAOYSA-N -1 3 340.431 2.562 20 30 EFEDHM C=C(C)C[C@@H](NCc1ccc(OC)c(O)c1Br)C(=O)[O-] ZINC001348503649 1332843581 /nfs/dbraw/zinc/84/35/81/1332843581.db2.gz VYNHCYWYGGRCIG-SNVBAGLBSA-N -1 3 344.205 2.672 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCc2ccccc2[C@H]1C ZINC001351722652 1333275190 /nfs/dbraw/zinc/27/51/90/1333275190.db2.gz FIBYTHJSDNRWBA-CYBMUJFWSA-N -1 3 348.410 2.750 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C[C@@H]1CC=CCC1 ZINC001352063348 1333369676 /nfs/dbraw/zinc/36/96/76/1333369676.db2.gz QVRAKSJTSRWOBA-CQSZACIVSA-N -1 3 340.431 2.728 20 30 EFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)sc1-c1ccccc1 ZINC000848130268 1334342512 /nfs/dbraw/zinc/34/25/12/1334342512.db2.gz HUVGQTYIUQUAQR-CYBMUJFWSA-N -1 3 330.409 2.834 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000848136642 1334349036 /nfs/dbraw/zinc/34/90/36/1334349036.db2.gz ORZYVCITXNLFEA-NSHDSACASA-N -1 3 343.210 2.521 20 30 EFEDHM Cc1cccc2sc(C(=O)N[C@H]3CCCN([O-])C3=O)c(Cl)c21 ZINC000848139076 1334350793 /nfs/dbraw/zinc/35/07/93/1334350793.db2.gz XBGLJGWJHBREMK-VIFPVBQESA-N -1 3 338.816 2.973 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001356135267 1334968199 /nfs/dbraw/zinc/96/81/99/1334968199.db2.gz VGJOHLSBQICLLU-GFCCVEGCSA-N -1 3 342.447 2.808 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001356463972 1335040196 /nfs/dbraw/zinc/04/01/96/1335040196.db2.gz VPJPKUUSBVSNQR-QWRGUYRKSA-N -1 3 335.433 2.545 20 30 EFEDHM CSc1ccc([O-])c(C(=O)NCc2cccc(OCC#N)c2)c1 ZINC001362145476 1336523449 /nfs/dbraw/zinc/52/34/49/1336523449.db2.gz ILJFQKLOEWEJBL-UHFFFAOYSA-N -1 3 328.393 2.946 20 30 EFEDHM C=C(Cl)CNC[C@@]1(NC(=O)c2ncccc2[O-])CCCC[C@H]1C ZINC001373896688 1341193705 /nfs/dbraw/zinc/19/37/05/1341193705.db2.gz LCGAQCLEDRPPDQ-PXAZEXFGSA-N -1 3 337.851 2.808 20 30 EFEDHM C[C@@H](CNC(=O)c1ccccc1[O-])N(C)Cc1ccc(C#N)cc1F ZINC001394041414 1357412642 /nfs/dbraw/zinc/41/26/42/1357412642.db2.gz FFESOOMJGZXWGW-ZDUSSCGKSA-N -1 3 341.386 2.653 20 30 EFEDHM C[C@H](CN(C)Cc1cc(C#N)ccc1F)NC(=O)c1ccccc1[O-] ZINC001392640925 1356186077 /nfs/dbraw/zinc/18/60/77/1356186077.db2.gz SGUPAAPNPVOSEH-CYBMUJFWSA-N -1 3 341.386 2.653 20 30 EFEDHM Cc1ccc(C(=O)NCCC(=O)Nc2cccc(CC#N)c2)c([O-])c1 ZINC001417869192 1373364242 /nfs/dbraw/zinc/36/42/42/1373364242.db2.gz DGDUOQOPZCDHAC-UHFFFAOYSA-N -1 3 337.379 2.525 20 30 EFEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)CO2 ZINC001423813429 1382418371 /nfs/dbraw/zinc/41/83/71/1382418371.db2.gz LUDUJXAPSYWWFR-HNNXBMFYSA-N -1 3 346.383 2.726 20 30 EFEDHM N#Cc1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001444466638 1391495942 /nfs/dbraw/zinc/49/59/42/1391495942.db2.gz GIXGNAKVQUBABC-UHFFFAOYSA-N -1 3 339.301 2.608 20 30 EFEDHM COc1ncc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cc1C#N ZINC001455608269 1394626523 /nfs/dbraw/zinc/62/65/23/1394626523.db2.gz LINWZNSNKZZAJC-UHFFFAOYSA-N -1 3 337.257 2.939 20 30 EFEDHM C[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001458453944 1395472171 /nfs/dbraw/zinc/47/21/71/1395472171.db2.gz FFCGEKYZLOLARB-NXEZZACHSA-N -1 3 345.790 2.782 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001466839675 1396789926 /nfs/dbraw/zinc/78/99/26/1396789926.db2.gz PRXUOVDAYCOQQL-UHFFFAOYSA-N -1 3 333.355 2.615 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001466839675 1396789929 /nfs/dbraw/zinc/78/99/29/1396789929.db2.gz PRXUOVDAYCOQQL-UHFFFAOYSA-N -1 3 333.355 2.615 20 30 EFEDHM Cn1nccc1[C@H]1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCC(=O)N1C ZINC001550916625 1413801179 /nfs/dbraw/zinc/80/11/79/1413801179.db2.gz JPKBNHDTSAWBGI-FEPVMLSSSA-N -1 3 346.818 2.560 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H]2CCCN2c2ccccc2)c1[O-] ZINC001551950604 1414291152 /nfs/dbraw/zinc/29/11/52/1414291152.db2.gz STRVBQROQAXEQU-XNHPLOEXSA-N -1 3 325.412 2.676 20 30 EFEDHM COc1ccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)cc1C#N ZINC001559025957 1415219060 /nfs/dbraw/zinc/21/90/60/1415219060.db2.gz PGLKKCZOXYBIHU-UHFFFAOYSA-N -1 3 333.347 2.969 20 30 EFEDHM C=C(CC)CN1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000823877714 1428963732 /nfs/dbraw/zinc/96/37/32/1428963732.db2.gz DGQGLXFZCWMHPI-UHFFFAOYSA-N -1 3 349.442 2.503 20 30 EFEDHM C#CCCCC(=O)N1CCC([C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001721249280 1423572860 /nfs/dbraw/zinc/57/28/60/1423572860.db2.gz FTEAQNUSDUDBBE-HNNXBMFYSA-N -1 3 342.439 2.553 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736308848 1450341364 /nfs/dbraw/zinc/34/13/64/1450341364.db2.gz ISVMGOZNRWCWJM-KRWDZBQOSA-N -1 3 348.410 2.837 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736308848 1450341367 /nfs/dbraw/zinc/34/13/67/1450341367.db2.gz ISVMGOZNRWCWJM-KRWDZBQOSA-N -1 3 348.410 2.837 20 30 EFEDHM N#Cc1ccc(NC(=O)COC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000023345720 712903531 /nfs/dbraw/zinc/90/35/31/712903531.db2.gz CFPNVZJQYZHOHC-UHFFFAOYSA-N -1 3 325.349 2.897 20 30 EFEDHM C=C1CCC(C(=O)N[C@H](C)C2CN(C(=O)c3ccccc3[O-])C2)CC1 ZINC001006788484 712979587 /nfs/dbraw/zinc/97/95/87/712979587.db2.gz AIIVGYVESFGAPK-CQSZACIVSA-N -1 3 342.439 2.715 20 30 EFEDHM C[C@@H](NC(=O)c1ccccc1[O-])C1CN(Cc2ccc(C#N)s2)C1 ZINC000969308080 713031044 /nfs/dbraw/zinc/03/10/44/713031044.db2.gz MLTMBRUIAHKUNE-GFCCVEGCSA-N -1 3 341.436 2.576 20 30 EFEDHM Cc1ccc(C(=O)NC2CC2)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255094702 713688297 /nfs/dbraw/zinc/68/82/97/713688297.db2.gz ZNDBMKUGRVVDGB-UHFFFAOYSA-N -1 3 326.352 2.755 20 30 EFEDHM C=C1CCC(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000891020559 713777336 /nfs/dbraw/zinc/77/73/36/713777336.db2.gz JLZXKPYOAIAYKZ-LBPRGKRZSA-N -1 3 332.366 2.650 20 30 EFEDHM C[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000023416239 715461843 /nfs/dbraw/zinc/46/18/43/715461843.db2.gz GPMXAYUTMPIDRB-NSHDSACASA-N -1 3 348.355 2.695 20 30 EFEDHM N#Cc1ccc(O[C@@H]2CCN(Cc3cc(F)cc(F)c3[O-])C2)nc1 ZINC000894841210 722887523 /nfs/dbraw/zinc/88/75/23/722887523.db2.gz YQORDNRJYWEJSA-CQSZACIVSA-N -1 3 331.322 2.590 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC000977394322 716156808 /nfs/dbraw/zinc/15/68/08/716156808.db2.gz BNSVWTDWKVDUDR-AUUYWEPGSA-N -1 3 330.428 2.667 20 30 EFEDHM N#Cc1ccc(CN2CCC[C@H]2CNC(=O)c2ccccc2[O-])s1 ZINC001027761120 716871142 /nfs/dbraw/zinc/87/11/42/716871142.db2.gz HMOUBOHBOSBBAY-ZDUSSCGKSA-N -1 3 341.436 2.720 20 30 EFEDHM C=CC(C)(C)C(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])[C@H]2C1 ZINC000979870516 717528568 /nfs/dbraw/zinc/52/85/68/717528568.db2.gz BFPAUIOJPXXLSE-CWRNSKLLSA-N -1 3 342.439 2.571 20 30 EFEDHM C=C1CCC(C(=O)N(C)[C@H]2CCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC000936688105 718485229 /nfs/dbraw/zinc/48/52/29/718485229.db2.gz VEFFPHSAQKURGV-INIZCTEOSA-N -1 3 342.439 2.812 20 30 EFEDHM C=CC(C)(C)CC(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001059705655 724594490 /nfs/dbraw/zinc/59/44/90/724594490.db2.gz YZFZDPBXBLOFGO-HNNXBMFYSA-N -1 3 344.455 2.963 20 30 EFEDHM C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000021677996 724633575 /nfs/dbraw/zinc/63/35/75/724633575.db2.gz DXGVNXCPDFEWPK-CQSZACIVSA-N -1 3 338.363 2.884 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc2ccccc2oc1=O ZINC000053524689 720810151 /nfs/dbraw/zinc/81/01/51/720810151.db2.gz BHFRHLFFNZLHGJ-UHFFFAOYSA-N -1 3 333.307 2.609 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000126252463 720949195 /nfs/dbraw/zinc/94/91/95/720949195.db2.gz BUXMNAHMIHENOB-OAHLLOKOSA-N -1 3 348.337 2.973 20 30 EFEDHM CCCCCCCS(=O)(=O)[N-]Cc1nc(-c2ccncc2)no1 ZINC000195072491 721096816 /nfs/dbraw/zinc/09/68/16/721096816.db2.gz OTNHEIUVIHUZCD-UHFFFAOYSA-N -1 3 338.433 2.521 20 30 EFEDHM CC(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000917554353 728758919 /nfs/dbraw/zinc/75/89/19/728758919.db2.gz CCJKOJPZGIRWCW-UHFFFAOYSA-N -1 3 331.723 2.751 20 30 EFEDHM C(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccccc1OCc1ccncc1 ZINC000917555215 728759203 /nfs/dbraw/zinc/75/92/03/728759203.db2.gz HVOHHSXPWMMKFE-UHFFFAOYSA-N -1 3 345.366 2.773 20 30 EFEDHM Cc1nn(Cc2ccccc2)c(C)c1C=[NH+][N-]c1ncnc2[n-]cnc21 ZINC000917554409 728759364 /nfs/dbraw/zinc/75/93/64/728759364.db2.gz NDUZQGJAKKURGH-UHFFFAOYSA-N -1 3 346.398 2.661 20 30 EFEDHM Cc1ncc(CO)c(C=Nc2cc(N3CCCC3=O)ccc2F)c1[O-] ZINC000917557931 728759907 /nfs/dbraw/zinc/75/99/07/728759907.db2.gz XJJHLOMPEPNYLM-UHFFFAOYSA-N -1 3 343.358 2.604 20 30 EFEDHM C=C[C@H](CC)CC(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196546 722887050 /nfs/dbraw/zinc/88/70/50/722887050.db2.gz XSKQOWMFMCMUGP-HZPDHXFCSA-N -1 3 344.455 2.963 20 30 EFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@]1(C#N)CCSC1 ZINC000154493390 728776646 /nfs/dbraw/zinc/77/66/46/728776646.db2.gz ULVUHHKBEUJJCB-CQSZACIVSA-N -1 3 326.368 2.693 20 30 EFEDHM O=C1[C@@H](NCc2cc3cc(Br)ccc3o2)CCCN1[O-] ZINC000895156997 723484393 /nfs/dbraw/zinc/48/43/93/723484393.db2.gz KJZQUFJDCQOZHG-LBPRGKRZSA-N -1 3 339.189 2.665 20 30 EFEDHM O=C1[C@H](NCc2ccc(Cl)c(Br)c2)CCCN1[O-] ZINC000895161345 723492190 /nfs/dbraw/zinc/49/21/90/723492190.db2.gz FUUOLHNVZIJFGN-LLVKDONJSA-N -1 3 333.613 2.572 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(F)c(F)c(F)c1 ZINC000727969534 723541161 /nfs/dbraw/zinc/54/11/61/723541161.db2.gz IGERUCDKICICMD-UHFFFAOYSA-N -1 3 328.315 2.557 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cc(F)cc(F)c2)c1 ZINC000127042416 723555682 /nfs/dbraw/zinc/55/56/82/723555682.db2.gz AFSAMKROJSDQCQ-OAHLLOKOSA-N -1 3 330.290 2.935 20 30 EFEDHM COc1cc(C(=O)/C=C/c2ccc(S(C)(=O)=O)cc2)ccc1[O-] ZINC000918154747 728847046 /nfs/dbraw/zinc/84/70/46/728847046.db2.gz AEKQWSYNAIVWJN-WEVVVXLNSA-N -1 3 332.377 2.700 20 30 EFEDHM O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])C[C@@H]2CCCCN12 ZINC000840709875 723895737 /nfs/dbraw/zinc/89/57/37/723895737.db2.gz NFKYAUNVYQYIKB-PPCKYFQJSA-N -1 3 337.217 2.727 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCOc2ccc(Cl)c(F)c2)c1[O-] ZINC000840710678 723947608 /nfs/dbraw/zinc/94/76/08/723947608.db2.gz UFDVWISROMUNQA-UFWORHAWSA-N -1 3 338.766 2.878 20 30 EFEDHM COC(=O)[C@@H](CC1CC1)/N=C\c1cc(Br)ccc1[O-] ZINC000840711239 723984409 /nfs/dbraw/zinc/98/44/09/723984409.db2.gz PTQYDJPHHNITED-VJMCZWTHSA-N -1 3 326.190 2.915 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000127108330 724001541 /nfs/dbraw/zinc/00/15/41/724001541.db2.gz HXCIRTYKEXAYGB-HNNXBMFYSA-N -1 3 339.307 2.565 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)c1 ZINC000127108545 724002064 /nfs/dbraw/zinc/00/20/64/724002064.db2.gz HXCIRTYKEXAYGB-OAHLLOKOSA-N -1 3 339.307 2.565 20 30 EFEDHM COc1cc(C=NNC(=S)NCC2CCC2)cc(Cl)c1[O-] ZINC000727653145 724290909 /nfs/dbraw/zinc/29/09/09/724290909.db2.gz FQGNKQROSRTISI-UHFFFAOYSA-N -1 3 327.837 2.652 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC000985751579 724854598 /nfs/dbraw/zinc/85/45/98/724854598.db2.gz VYTFXJQUUYADEP-CABCVRRESA-N -1 3 342.439 2.525 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccsc2)cc1OC ZINC000130056012 725475162 /nfs/dbraw/zinc/47/51/62/725475162.db2.gz OSAZTESPJZFCEP-LBPRGKRZSA-N -1 3 330.365 2.726 20 30 EFEDHM C[C@@H]1C[C@H](NCc2ccccc2C#N)CN1C(=O)c1ccccc1[O-] ZINC000988166180 726102445 /nfs/dbraw/zinc/10/24/45/726102445.db2.gz NVJJLIZGZHUCHL-PBHICJAKSA-N -1 3 335.407 2.657 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC000988187037 726110901 /nfs/dbraw/zinc/11/09/01/726110901.db2.gz JQWFZSHYHKYXJJ-AWEZNQCLSA-N -1 3 330.428 2.525 20 30 EFEDHM Cc1cccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000731153700 726813342 /nfs/dbraw/zinc/81/33/42/726813342.db2.gz ZBLOVTSDXOHCKS-UHFFFAOYSA-N -1 3 347.396 2.665 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000907059920 726856499 /nfs/dbraw/zinc/85/64/99/726856499.db2.gz AVUABAUZUCSLIM-FZMZJTMJSA-N -1 3 340.217 2.752 20 30 EFEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)cc1 ZINC000731605404 726904256 /nfs/dbraw/zinc/90/42/56/726904256.db2.gz MTNPHSUUSDKPJL-UHFFFAOYSA-N -1 3 330.290 2.659 20 30 EFEDHM CCOc1cc(C=NOC[C@H]2CCOC2)cc(Br)c1[O-] ZINC000788038339 726974788 /nfs/dbraw/zinc/97/47/88/726974788.db2.gz GZLQBZZWZLEXTF-JTQLQIEISA-N -1 3 344.205 2.940 20 30 EFEDHM COc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)CCC#N)cc1F ZINC000915675171 727113592 /nfs/dbraw/zinc/11/35/92/727113592.db2.gz YZSFUEZSZXAFJR-UHFFFAOYSA-N -1 3 332.372 2.582 20 30 EFEDHM N#Cc1cccnc1NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001060203018 727271643 /nfs/dbraw/zinc/27/16/43/727271643.db2.gz JSMZQTCJCBBIPP-OAHLLOKOSA-N -1 3 336.395 2.766 20 30 EFEDHM C=CCC[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000909718920 727368244 /nfs/dbraw/zinc/36/82/44/727368244.db2.gz USXSJQGLKLIOEQ-DOTOQJQBSA-N -1 3 348.418 2.573 20 30 EFEDHM C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910286403 727427804 /nfs/dbraw/zinc/42/78/04/727427804.db2.gz IIHKPTKGLVVTFW-DOTOQJQBSA-N -1 3 348.418 2.573 20 30 EFEDHM C#CC1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CC1 ZINC000911546545 727556355 /nfs/dbraw/zinc/55/63/55/727556355.db2.gz CJJNTMTYHUNUQG-UHFFFAOYSA-N -1 3 335.429 2.976 20 30 EFEDHM Cc1cccc(NC(=S)NN=Cc2c([O-])c(C)ncc2CO)c1C ZINC000915912333 727639463 /nfs/dbraw/zinc/63/94/63/727639463.db2.gz QRMHWUIJZSWLFX-UHFFFAOYSA-N -1 3 344.440 2.525 20 30 EFEDHM CCCN1c2ccccc2C(=N[N-]c2ccc([N+](=O)[O-])cn2)C1=O ZINC000915969782 727643780 /nfs/dbraw/zinc/64/37/80/727643780.db2.gz XMNQIPWFLNNBMV-UHFFFAOYSA-N -1 3 325.328 2.563 20 30 EFEDHM COc1cc(C=NNCc2cc(F)ccc2F)c([N+](=O)[O-])cc1[O-] ZINC000915978494 727644897 /nfs/dbraw/zinc/64/48/97/727644897.db2.gz DBUUGHDVYSDKDT-UHFFFAOYSA-N -1 3 337.282 2.711 20 30 EFEDHM COCCOCc1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000915981622 727645190 /nfs/dbraw/zinc/64/51/90/727645190.db2.gz VJTHMHWIRXMAPG-UHFFFAOYSA-N -1 3 330.384 2.502 20 30 EFEDHM COC[C@@H](C)NC(=S)NN=C(C)c1ccc2ccccc2c1[O-] ZINC000916280938 727673295 /nfs/dbraw/zinc/67/32/95/727673295.db2.gz GAWGHDKDHRKBOJ-LLVKDONJSA-N -1 3 331.441 2.768 20 30 EFEDHM CC(C)CN1c2ccccc2C(=N[N-]c2ccc(Cl)nn2)C1=O ZINC000916287978 727673961 /nfs/dbraw/zinc/67/39/61/727673961.db2.gz YPHRQAYSRJKNGM-UHFFFAOYSA-N -1 3 329.791 2.949 20 30 EFEDHM CCOc1cc(C=Nn2c(C)nnc2C)cc(Br)c1[O-] ZINC000916348508 727678483 /nfs/dbraw/zinc/67/84/83/727678483.db2.gz ILDZSDAUKZNOTK-UHFFFAOYSA-N -1 3 339.193 2.644 20 30 EFEDHM COc1cc(C=Nn2cnc3ccccc3c2=O)cc(Cl)c1[O-] ZINC000916369764 727678516 /nfs/dbraw/zinc/67/85/16/727678516.db2.gz MRKOOCDLKGDXKU-UHFFFAOYSA-N -1 3 329.743 2.646 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2)ccc1F ZINC000045318587 727996028 /nfs/dbraw/zinc/99/60/28/727996028.db2.gz RHTMDUWCLJDBNM-UHFFFAOYSA-N -1 3 348.399 2.567 20 30 EFEDHM O=C(NC1CN(CC#Cc2ccccc2Cl)C1)c1ccccc1[O-] ZINC001030112022 728079726 /nfs/dbraw/zinc/07/97/26/728079726.db2.gz DUYPMCNMAJUWLE-UHFFFAOYSA-N -1 3 340.810 2.511 20 30 EFEDHM O=C(NC1CN(CC#Cc2ccc(Cl)cc2)C1)c1ccccc1[O-] ZINC001030111998 728079773 /nfs/dbraw/zinc/07/97/73/728079773.db2.gz CJPUDPBLLHHOCJ-UHFFFAOYSA-N -1 3 340.810 2.511 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1(C#N)CCCCC1 ZINC000183674032 728251626 /nfs/dbraw/zinc/25/16/26/728251626.db2.gz FGPLOVFXQQXIGA-UHFFFAOYSA-N -1 3 341.411 2.813 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)(C)C)[nH]n1 ZINC000129988732 728537793 /nfs/dbraw/zinc/53/77/93/728537793.db2.gz WJBHXEMXYFEYPH-LLVKDONJSA-N -1 3 340.383 2.677 20 30 EFEDHM Cc1ccc(-c2cc(C(=O)OCCNc3ncccc3C#N)n[n-]2)o1 ZINC000171798863 728554597 /nfs/dbraw/zinc/55/45/97/728554597.db2.gz JAQCGBAWRAFDQW-UHFFFAOYSA-N -1 3 337.339 2.514 20 30 EFEDHM Cc1ccc(-c2cc(C(=O)OCCNc3ncccc3C#N)[n-]n2)o1 ZINC000171798863 728554599 /nfs/dbraw/zinc/55/45/99/728554599.db2.gz JAQCGBAWRAFDQW-UHFFFAOYSA-N -1 3 337.339 2.514 20 30 EFEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000230611266 728595715 /nfs/dbraw/zinc/59/57/15/728595715.db2.gz OBQPMAKZHDIUCU-UHFFFAOYSA-N -1 3 328.590 2.619 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1OC ZINC000130037136 728661335 /nfs/dbraw/zinc/66/13/35/728661335.db2.gz QZVAQAZCHVQSLP-AWEZNQCLSA-N -1 3 342.351 2.875 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000939482471 728963247 /nfs/dbraw/zinc/96/32/47/728963247.db2.gz NSGBGCRYORQWIS-AUUYWEPGSA-N -1 3 330.428 2.667 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919326673 729005211 /nfs/dbraw/zinc/00/52/11/729005211.db2.gz AVRSTPUXKJXPOM-ZDUSSCGKSA-N -1 3 343.383 2.724 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919326673 729005215 /nfs/dbraw/zinc/00/52/15/729005215.db2.gz AVRSTPUXKJXPOM-ZDUSSCGKSA-N -1 3 343.383 2.724 20 30 EFEDHM COc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1OC ZINC000920384211 729178312 /nfs/dbraw/zinc/17/83/12/729178312.db2.gz WUALKADXSHHXJV-UHFFFAOYSA-N -1 3 348.424 2.547 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000180849686 729769717 /nfs/dbraw/zinc/76/97/17/729769717.db2.gz YMCUTYKNGXEHFG-JTQLQIEISA-N -1 3 347.383 2.775 20 30 EFEDHM Fc1ccc2oc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000822786034 946172730 /nfs/dbraw/zinc/17/27/30/946172730.db2.gz BOEJYLDQIHXIFQ-UHFFFAOYSA-N -1 3 336.330 2.876 20 30 EFEDHM Fc1ccc2oc(C=NNCc3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000822786034 946172736 /nfs/dbraw/zinc/17/27/36/946172736.db2.gz BOEJYLDQIHXIFQ-UHFFFAOYSA-N -1 3 336.330 2.876 20 30 EFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2ccc(F)cc21 ZINC000823505027 946441368 /nfs/dbraw/zinc/44/13/68/946441368.db2.gz XBPAGWRFUWJSIP-FPYGCLRLSA-N -1 3 328.328 2.726 20 30 EFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2ccc(F)cc21 ZINC000823505027 946441374 /nfs/dbraw/zinc/44/13/74/946441374.db2.gz XBPAGWRFUWJSIP-FPYGCLRLSA-N -1 3 328.328 2.726 20 30 EFEDHM C=CCCOCCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823899169 946509640 /nfs/dbraw/zinc/50/96/40/946509640.db2.gz OENLFSGRGYTSAC-UHFFFAOYSA-N -1 3 329.404 2.593 20 30 EFEDHM C=CCCOCCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823899169 946509654 /nfs/dbraw/zinc/50/96/54/946509654.db2.gz OENLFSGRGYTSAC-UHFFFAOYSA-N -1 3 329.404 2.593 20 30 EFEDHM C#C[C@@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)c1ccccc1 ZINC001573280736 946668392 /nfs/dbraw/zinc/66/83/92/946668392.db2.gz RIBFQZKHQYAPRA-MRXNPFEDSA-N -1 3 331.379 2.588 20 30 EFEDHM C#C[C@@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)c1ccccc1 ZINC001573280736 946668400 /nfs/dbraw/zinc/66/84/00/946668400.db2.gz RIBFQZKHQYAPRA-MRXNPFEDSA-N -1 3 331.379 2.588 20 30 EFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001573281312 946674851 /nfs/dbraw/zinc/67/48/51/946674851.db2.gz XWIOFAMKOGVWQJ-AWEZNQCLSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001573281312 946674856 /nfs/dbraw/zinc/67/48/56/946674856.db2.gz XWIOFAMKOGVWQJ-AWEZNQCLSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC001573281522 946677748 /nfs/dbraw/zinc/67/77/48/946677748.db2.gz ZLAIQEQAXUXNMO-CYBMUJFWSA-N -1 3 328.738 2.841 20 30 EFEDHM C#C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC001573281522 946677755 /nfs/dbraw/zinc/67/77/55/946677755.db2.gz ZLAIQEQAXUXNMO-CYBMUJFWSA-N -1 3 328.738 2.841 20 30 EFEDHM C=C[C@@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC)c1ccccc1 ZINC001573300796 947122780 /nfs/dbraw/zinc/12/27/80/947122780.db2.gz OBDYZSVCDOXBRC-CQSZACIVSA-N -1 3 334.383 2.817 20 30 EFEDHM C=CCN(CCC#N)c1cc(Br)ccc1-c1nnn[n-]1 ZINC001573341831 947536490 /nfs/dbraw/zinc/53/64/90/947536490.db2.gz RBMHZMNABCAEKT-UHFFFAOYSA-N -1 3 333.193 2.535 20 30 EFEDHM C=CCN(CCC#N)c1cc(Br)ccc1-c1nn[n-]n1 ZINC001573341831 947536497 /nfs/dbraw/zinc/53/64/97/947536497.db2.gz RBMHZMNABCAEKT-UHFFFAOYSA-N -1 3 333.193 2.535 20 30 EFEDHM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)n2c1 ZINC000826295352 947856574 /nfs/dbraw/zinc/85/65/74/947856574.db2.gz DDXWEZDWHOZAPZ-XQRVVYSFSA-N -1 3 348.341 2.858 20 30 EFEDHM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)n2c1 ZINC000826295352 947856583 /nfs/dbraw/zinc/85/65/83/947856583.db2.gz DDXWEZDWHOZAPZ-XQRVVYSFSA-N -1 3 348.341 2.858 20 30 EFEDHM C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C(=O)[O-] ZINC001589396281 954380123 /nfs/dbraw/zinc/38/01/23/954380123.db2.gz XNKWLFIFXYYFEU-DOMZBBRYSA-N -1 3 341.329 2.979 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCCN(Cc3cccc(C(=O)[O-])c3)C2)nc1 ZINC000903710267 956908572 /nfs/dbraw/zinc/90/85/72/956908572.db2.gz OEQPPVFQKZFKNC-KRWDZBQOSA-N -1 3 336.395 2.728 20 30 EFEDHM O=C([O-])CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923273230 957112338 /nfs/dbraw/zinc/11/23/38/957112338.db2.gz VBUGZSOUEDZJTQ-OLQVQODUSA-N -1 3 341.198 2.564 20 30 EFEDHM C=C(C)CCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001344521737 962183869 /nfs/dbraw/zinc/18/38/69/962183869.db2.gz CVNYTRRYBVNWAH-IBGZPJMESA-N -1 3 330.428 2.578 20 30 EFEDHM N#CC1(CCCN2Cc3ccccc3[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001605577134 973855860 /nfs/dbraw/zinc/85/58/60/973855860.db2.gz XOEUNMUBCSOKCO-KRWDZBQOSA-N -1 3 328.412 2.771 20 30 EFEDHM CCCCCCC[C@H](C)CNC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001595704628 982277792 /nfs/dbraw/zinc/27/77/92/982277792.db2.gz DWHZAUOQOIHGSR-JKSUJKDBSA-N -1 3 341.496 2.641 20 30 EFEDHM CCCCCCC[C@H](C)CNC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001595704626 982277811 /nfs/dbraw/zinc/27/78/11/982277811.db2.gz DWHZAUOQOIHGSR-HOTGVXAUSA-N -1 3 341.496 2.641 20 30 EFEDHM C#CC[C@H](NCc1c(C)nn(Cc2ccc(C)cc2)c1Cl)C(=O)[O-] ZINC001588421831 983443257 /nfs/dbraw/zinc/44/32/57/983443257.db2.gz DGRLFRJIVNUIGM-INIZCTEOSA-N -1 3 345.830 2.768 20 30 EFEDHM C=C(C)C[C@@H](CO)NCc1ccc(C(=O)[O-])cc1Br ZINC001588537433 983599798 /nfs/dbraw/zinc/59/97/98/983599798.db2.gz POQSQTNTACXJQW-LBPRGKRZSA-N -1 3 328.206 2.564 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001588607306 983700665 /nfs/dbraw/zinc/70/06/65/983700665.db2.gz YRLNGIYMMLFRRD-SFHVURJKSA-N -1 3 344.455 2.919 20 30 EFEDHM C=C(Cl)C[C@@H](N)C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001588637074 983758353 /nfs/dbraw/zinc/75/83/53/983758353.db2.gz FSFUOQCTLXLXRG-LLVKDONJSA-N -1 3 338.816 2.686 20 30 EFEDHM C=CC[C@@H](C(=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001588730688 984000942 /nfs/dbraw/zinc/00/09/42/984000942.db2.gz VDWFBHKEWMTBJK-AWEZNQCLSA-N -1 3 337.807 2.519 20 30 EFEDHM C=CCCC[C@@H](N)C(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001588786122 984183120 /nfs/dbraw/zinc/18/31/20/984183120.db2.gz MHPYUQRYRDCVGO-IAGOWNOFSA-N -1 3 326.396 2.765 20 30 EFEDHM C=CCCn1cc(CN[C@@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])nn1 ZINC001588819833 984279083 /nfs/dbraw/zinc/27/90/83/984279083.db2.gz DQKBGZARRCPTMW-KRWDZBQOSA-N -1 3 348.834 2.683 20 30 EFEDHM C=CCN1CCC(NC(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)CC1 ZINC001588838722 984340035 /nfs/dbraw/zinc/34/00/35/984340035.db2.gz IOGXDKRGBGJLFS-UHFFFAOYSA-N -1 3 342.399 2.638 20 30 EFEDHM C=CCOC[C@H](NCc1c(C)nn(-c2ccccc2C)c1C)C(=O)[O-] ZINC001588867037 984429899 /nfs/dbraw/zinc/42/98/99/984429899.db2.gz YGJMAUPRLIQIFY-KRWDZBQOSA-N -1 3 343.427 2.543 20 30 EFEDHM CC(=O)[C@@](C#N)(CCN1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001589021155 985011361 /nfs/dbraw/zinc/01/13/61/985011361.db2.gz MGZHYDUEACUMJE-XLIONFOSSA-N -1 3 340.423 2.614 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CN[C@@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001589334586 986203016 /nfs/dbraw/zinc/20/30/16/986203016.db2.gz HDYQCVQFUSVCGX-KUHUBIRLSA-N -1 3 339.395 2.852 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001597542711 988232966 /nfs/dbraw/zinc/23/29/66/988232966.db2.gz IFNFPWQHKQIMAA-GFCCVEGCSA-N -1 3 342.376 2.970 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001597543037 988236307 /nfs/dbraw/zinc/23/63/07/988236307.db2.gz PSCWLGUBKSFBLY-CQSZACIVSA-N -1 3 340.335 2.810 20 30 EFEDHM C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H]1CC(=O)[O-] ZINC001599866810 989279602 /nfs/dbraw/zinc/27/96/02/989279602.db2.gz XMPIOAXLDRVVJK-ZWNOBZJWSA-N -1 3 337.217 2.863 20 30 EFEDHM CN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1Cc1ccccc1 ZINC001598610783 993767945 /nfs/dbraw/zinc/76/79/45/993767945.db2.gz FECORNNZTKHUES-WOJBJXKFSA-N -1 3 349.434 2.543 20 30 EFEDHM C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593270875 994597383 /nfs/dbraw/zinc/59/73/83/994597383.db2.gz ANMBRKNCCOGFQJ-LBPRGKRZSA-N -1 3 326.352 2.692 20 30 EFEDHM C[C@@](NCc1ccc(C#N)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292397 994676113 /nfs/dbraw/zinc/67/61/13/994676113.db2.gz KQESFORHPAZVAF-KRWDZBQOSA-N -1 3 325.324 2.556 20 30 EFEDHM C[C@@](NCc1ccc(OCC#N)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593297837 994706940 /nfs/dbraw/zinc/70/69/40/994706940.db2.gz AHTDEEZIPKDSTE-SFHVURJKSA-N -1 3 328.343 2.818 20 30 EFEDHM C[C@](NCc1ccc(OCC#N)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593297836 994707352 /nfs/dbraw/zinc/70/73/52/994707352.db2.gz AHTDEEZIPKDSTE-GOSISDBHSA-N -1 3 328.343 2.818 20 30 EFEDHM C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593298532 994715022 /nfs/dbraw/zinc/71/50/22/994715022.db2.gz KROVECGUYYKCEA-CQSZACIVSA-N -1 3 340.379 2.903 20 30 EFEDHM COc1ccc([C@@H](N[C@H](C(=O)[O-])c2ccc(C#N)cc2)C2CC2)cn1 ZINC001599529180 997618916 /nfs/dbraw/zinc/61/89/16/997618916.db2.gz VHCGPUXSROPMPV-ROUUACIJSA-N -1 3 337.379 2.828 20 30 EFEDHM COc1ccc([C@H](N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)C2CC2)cn1 ZINC001599529179 997618936 /nfs/dbraw/zinc/61/89/36/997618936.db2.gz VHCGPUXSROPMPV-QZTJIDSGSA-N -1 3 337.379 2.828 20 30 EFEDHM COc1ccc([C@@H](NCCC2(C#N)CCCCC2)C(=O)[O-])cc1O ZINC001599529877 997631210 /nfs/dbraw/zinc/63/12/10/997631210.db2.gz VFJAXSLLSDHZQP-MRXNPFEDSA-N -1 3 332.400 2.980 20 30 EFEDHM C=CCC(CC=C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001573501899 1087802924 /nfs/dbraw/zinc/80/29/24/1087802924.db2.gz SULLXIWWQMTACA-PBHICJAKSA-N -1 3 342.439 2.880 20 30 EFEDHM CCCCCCCNC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001577506549 1090018330 /nfs/dbraw/zinc/01/83/30/1090018330.db2.gz XADYXNSNBXSRLT-UHFFFAOYSA-N -1 3 330.436 2.679 20 30 EFEDHM CCCCCCCNC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001577506549 1090018343 /nfs/dbraw/zinc/01/83/43/1090018343.db2.gz XADYXNSNBXSRLT-UHFFFAOYSA-N -1 3 330.436 2.679 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)c1cc(-c2nnn[n-]2)cc(C)n1 ZINC001577659821 1090112134 /nfs/dbraw/zinc/11/21/34/1090112134.db2.gz PHDMLYKWRKPQQW-UHFFFAOYSA-N -1 3 333.399 2.858 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)c1cc(-c2nn[n-]n2)cc(C)n1 ZINC001577659821 1090112137 /nfs/dbraw/zinc/11/21/37/1090112137.db2.gz PHDMLYKWRKPQQW-UHFFFAOYSA-N -1 3 333.399 2.858 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1CN1CCCc2cc(C#N)ccc21 ZINC001579947151 1090731061 /nfs/dbraw/zinc/73/10/61/1090731061.db2.gz KIMAUOFYIOEUDU-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCCc2cc(C#N)ccc21 ZINC001579947151 1090731065 /nfs/dbraw/zinc/73/10/65/1090731065.db2.gz KIMAUOFYIOEUDU-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001579967172 1090734554 /nfs/dbraw/zinc/73/45/54/1090734554.db2.gz PSEUYSYSHLWNBW-CQSZACIVSA-N -1 3 348.366 2.511 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](CC#N)c1ccccc1 ZINC001579967172 1090734559 /nfs/dbraw/zinc/73/45/59/1090734559.db2.gz PSEUYSYSHLWNBW-CQSZACIVSA-N -1 3 348.366 2.511 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2cscc2C#N)c1-c1nnn[n-]1 ZINC001580523176 1090930962 /nfs/dbraw/zinc/93/09/62/1090930962.db2.gz CKROGZHZJGCMNG-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2cscc2C#N)c1-c1nn[n-]n1 ZINC001580523176 1090930964 /nfs/dbraw/zinc/93/09/64/1090930964.db2.gz CKROGZHZJGCMNG-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001580528534 1090934465 /nfs/dbraw/zinc/93/44/65/1090934465.db2.gz WBDQCVPSJDEIIX-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001580528534 1090934469 /nfs/dbraw/zinc/93/44/69/1090934469.db2.gz WBDQCVPSJDEIIX-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001580768601 1091002228 /nfs/dbraw/zinc/00/22/28/1091002228.db2.gz DNQDKDHJHPJVCL-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(C#N)cc(C)c1CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001580768601 1091002232 /nfs/dbraw/zinc/00/22/32/1091002232.db2.gz DNQDKDHJHPJVCL-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)cc(C)c1C#N ZINC001580813122 1091017237 /nfs/dbraw/zinc/01/72/37/1091017237.db2.gz WOMMTFHSAGKLQB-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)cc(C)c1C#N ZINC001580813122 1091017243 /nfs/dbraw/zinc/01/72/43/1091017243.db2.gz WOMMTFHSAGKLQB-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ncc1C#N ZINC001580950409 1091049627 /nfs/dbraw/zinc/04/96/27/1091049627.db2.gz QKTKKRAYQBZKOD-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM Cc1cc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ncc1C#N ZINC001580950409 1091049634 /nfs/dbraw/zinc/04/96/34/1091049634.db2.gz QKTKKRAYQBZKOD-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM Cc1cc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001580978942 1091054108 /nfs/dbraw/zinc/05/41/08/1091054108.db2.gz HGIOXMNDJLPCDZ-CYBMUJFWSA-N -1 3 338.396 2.558 20 30 EFEDHM Cc1cc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001580978942 1091054116 /nfs/dbraw/zinc/05/41/16/1091054116.db2.gz HGIOXMNDJLPCDZ-CYBMUJFWSA-N -1 3 338.396 2.558 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)cc1-c1nnn[n-]1 ZINC001581872616 1091326690 /nfs/dbraw/zinc/32/66/90/1091326690.db2.gz GAIIYQRUSTTXEY-MAUKXSAKSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)cc1-c1nn[n-]n1 ZINC001581872616 1091326702 /nfs/dbraw/zinc/32/67/02/1091326702.db2.gz GAIIYQRUSTTXEY-MAUKXSAKSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H]2CCc3cc(F)ccc32)cc1-c1nnn[n-]1 ZINC001581873314 1091328924 /nfs/dbraw/zinc/32/89/24/1091328924.db2.gz XRQPYVMZOGAAFJ-HNNXBMFYSA-N -1 3 348.341 2.546 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H]2CCc3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC001581873314 1091328934 /nfs/dbraw/zinc/32/89/34/1091328934.db2.gz XRQPYVMZOGAAFJ-HNNXBMFYSA-N -1 3 348.341 2.546 20 30 EFEDHM N#Cc1ccnnc1Sc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001581876735 1091329204 /nfs/dbraw/zinc/32/92/04/1091329204.db2.gz FKIVRPPNAQVLPQ-UHFFFAOYSA-N -1 3 349.301 2.698 20 30 EFEDHM N#Cc1ccnnc1Sc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001581876735 1091329209 /nfs/dbraw/zinc/32/92/09/1091329209.db2.gz FKIVRPPNAQVLPQ-UHFFFAOYSA-N -1 3 349.301 2.698 20 30 EFEDHM N#Cc1nc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)sc1Cl ZINC001581880841 1091330863 /nfs/dbraw/zinc/33/08/63/1091330863.db2.gz WYIDAQPIBWBCCA-SNVBAGLBSA-N -1 3 343.803 2.948 20 30 EFEDHM N#Cc1nc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)sc1Cl ZINC001581880841 1091330869 /nfs/dbraw/zinc/33/08/69/1091330869.db2.gz WYIDAQPIBWBCCA-SNVBAGLBSA-N -1 3 343.803 2.948 20 30 EFEDHM N#CC[C@H](C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001583570438 1092042650 /nfs/dbraw/zinc/04/26/50/1092042650.db2.gz FIBUGCRRDLFIAM-ZDUSSCGKSA-N -1 3 336.330 2.642 20 30 EFEDHM N#CC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001583570438 1092042657 /nfs/dbraw/zinc/04/26/57/1092042657.db2.gz FIBUGCRRDLFIAM-ZDUSSCGKSA-N -1 3 336.330 2.642 20 30 EFEDHM Brc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588321355 1092921211 /nfs/dbraw/zinc/92/12/11/1092921211.db2.gz YSXAMTLDGMUENU-UHFFFAOYSA-N -1 3 333.149 2.668 20 30 EFEDHM C#C[C@H](CC)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588325945 1092923842 /nfs/dbraw/zinc/92/38/42/1092923842.db2.gz AGDDYMBDLGQTIB-OAHLLOKOSA-N -1 3 347.378 2.801 20 30 EFEDHM C#C[C@H](CC)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588325945 1092923852 /nfs/dbraw/zinc/92/38/52/1092923852.db2.gz AGDDYMBDLGQTIB-OAHLLOKOSA-N -1 3 347.378 2.801 20 30 EFEDHM C#C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588328574 1092925543 /nfs/dbraw/zinc/92/55/43/1092925543.db2.gz KYWKUEZBLMNWPU-AWEZNQCLSA-N -1 3 338.302 2.700 20 30 EFEDHM C#C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588328574 1092925551 /nfs/dbraw/zinc/92/55/51/1092925551.db2.gz KYWKUEZBLMNWPU-AWEZNQCLSA-N -1 3 338.302 2.700 20 30 EFEDHM C#CCC(C)(C)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588330715 1092925565 /nfs/dbraw/zinc/92/55/65/1092925565.db2.gz CZLDTIPLPYFLAX-UHFFFAOYSA-N -1 3 342.399 2.617 20 30 EFEDHM C#CCC(C)(C)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588330715 1092925571 /nfs/dbraw/zinc/92/55/71/1092925571.db2.gz CZLDTIPLPYFLAX-UHFFFAOYSA-N -1 3 342.399 2.617 20 30 EFEDHM C#CC[C@@H](CCOC)Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001588331161 1092926400 /nfs/dbraw/zinc/92/64/00/1092926400.db2.gz LBJMCHIUXZYMMW-NSHDSACASA-N -1 3 339.321 2.726 20 30 EFEDHM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1 ZINC001588329905 1092926417 /nfs/dbraw/zinc/92/64/17/1092926417.db2.gz QLOAQCBJZLXIAU-GFCCVEGCSA-N -1 3 343.799 2.686 20 30 EFEDHM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1 ZINC001588329905 1092926437 /nfs/dbraw/zinc/92/64/37/1092926437.db2.gz QLOAQCBJZLXIAU-GFCCVEGCSA-N -1 3 343.799 2.686 20 30 EFEDHM C#CC[C@H](CCOC)Nc1nc2ccccc2c(C)c1-c1nnn[n-]1 ZINC001588330830 1092926740 /nfs/dbraw/zinc/92/67/40/1092926740.db2.gz FSINWKBLHQXSRR-CYBMUJFWSA-N -1 3 336.399 2.564 20 30 EFEDHM C#CC[C@H](CCOC)Nc1nc2ccccc2c(C)c1-c1nn[n-]n1 ZINC001588330830 1092926750 /nfs/dbraw/zinc/92/67/50/1092926750.db2.gz FSINWKBLHQXSRR-CYBMUJFWSA-N -1 3 336.399 2.564 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC001588329406 1092927123 /nfs/dbraw/zinc/92/71/23/1092927123.db2.gz FVPXCGWFVHIERQ-OAHLLOKOSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC001588329406 1092927140 /nfs/dbraw/zinc/92/71/40/1092927140.db2.gz FVPXCGWFVHIERQ-OAHLLOKOSA-N -1 3 336.330 2.502 20 30 EFEDHM C#CC[C@@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588333778 1092927862 /nfs/dbraw/zinc/92/78/62/1092927862.db2.gz DLSZOSIKSKHTTH-SWLSCSKDSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CC1(Nc2ccc(-c3nnn[n-]3)c(Br)c2)CCCC1 ZINC001588333486 1092928146 /nfs/dbraw/zinc/92/81/46/1092928146.db2.gz TXSMVKPQVRRRAW-UHFFFAOYSA-N -1 3 332.205 2.987 20 30 EFEDHM C#CC1(Nc2ccc(-c3nn[n-]n3)c(Br)c2)CCCC1 ZINC001588333486 1092928156 /nfs/dbraw/zinc/92/81/56/1092928156.db2.gz TXSMVKPQVRRRAW-UHFFFAOYSA-N -1 3 332.205 2.987 20 30 EFEDHM C#CC[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001588337247 1092928889 /nfs/dbraw/zinc/92/88/89/1092928889.db2.gz LODCWJLOFWSBJV-LBPRGKRZSA-N -1 3 336.399 2.621 20 30 EFEDHM C#CC[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001588337247 1092928900 /nfs/dbraw/zinc/92/89/00/1092928900.db2.gz LODCWJLOFWSBJV-LBPRGKRZSA-N -1 3 336.399 2.621 20 30 EFEDHM C#CCN(C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1)C1CC1 ZINC001588347959 1092931035 /nfs/dbraw/zinc/93/10/35/1092931035.db2.gz CJKRJQMQZXVTEA-UHFFFAOYSA-N -1 3 344.444 2.855 20 30 EFEDHM C#CCN(C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1)C1CC1 ZINC001588347959 1092931043 /nfs/dbraw/zinc/93/10/43/1092931043.db2.gz CJKRJQMQZXVTEA-UHFFFAOYSA-N -1 3 344.444 2.855 20 30 EFEDHM C#CCCCCCC(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001588344217 1092931554 /nfs/dbraw/zinc/93/15/54/1092931554.db2.gz IJXVUVNDMDUOAO-UHFFFAOYSA-N -1 3 338.415 2.649 20 30 EFEDHM C#CCCCCCC(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001588344217 1092931564 /nfs/dbraw/zinc/93/15/64/1092931564.db2.gz IJXVUVNDMDUOAO-UHFFFAOYSA-N -1 3 338.415 2.649 20 30 EFEDHM C#Cc1cccc(NC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588375352 1092933825 /nfs/dbraw/zinc/93/38/25/1092933825.db2.gz QHSSCHRFIMKNEU-UHFFFAOYSA-N -1 3 331.379 2.764 20 30 EFEDHM C#Cc1cccc(NC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588375352 1092933834 /nfs/dbraw/zinc/93/38/34/1092933834.db2.gz QHSSCHRFIMKNEU-UHFFFAOYSA-N -1 3 331.379 2.764 20 30 EFEDHM C#Cc1ccc(C(=O)N(CC=C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588365706 1092933940 /nfs/dbraw/zinc/93/39/40/1092933940.db2.gz CTNRMQMNENBEEF-UHFFFAOYSA-N -1 3 343.390 2.676 20 30 EFEDHM C#Cc1ccc(C(=O)N(CC=C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588365706 1092933947 /nfs/dbraw/zinc/93/39/47/1092933947.db2.gz CTNRMQMNENBEEF-UHFFFAOYSA-N -1 3 343.390 2.676 20 30 EFEDHM C#Cc1cccc(N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC001588374978 1092934062 /nfs/dbraw/zinc/93/40/62/1092934062.db2.gz ZGTSFKMTKYWNEU-UHFFFAOYSA-N -1 3 345.406 2.832 20 30 EFEDHM C#Cc1cccc(N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC001588374978 1092934071 /nfs/dbraw/zinc/93/40/71/1092934071.db2.gz ZGTSFKMTKYWNEU-UHFFFAOYSA-N -1 3 345.406 2.832 20 30 EFEDHM C#Cc1ccccc1CC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588375111 1092934746 /nfs/dbraw/zinc/93/47/46/1092934746.db2.gz FWSZBKJBELVZCG-CQSZACIVSA-N -1 3 345.406 2.610 20 30 EFEDHM C#Cc1ccccc1CC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588375111 1092934750 /nfs/dbraw/zinc/93/47/50/1092934750.db2.gz FWSZBKJBELVZCG-CQSZACIVSA-N -1 3 345.406 2.610 20 30 EFEDHM C#Cc1cccc(NC(=O)C(C)(C)c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001588375490 1092935326 /nfs/dbraw/zinc/93/53/26/1092935326.db2.gz ZAYLVNVFZVYRLW-UHFFFAOYSA-N -1 3 349.369 2.903 20 30 EFEDHM C#Cc1cccc(NC(=O)C(C)(C)c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001588375490 1092935339 /nfs/dbraw/zinc/93/53/39/1092935339.db2.gz ZAYLVNVFZVYRLW-UHFFFAOYSA-N -1 3 349.369 2.903 20 30 EFEDHM C#Cc1ccc(NC(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001588373844 1092935641 /nfs/dbraw/zinc/93/56/41/1092935641.db2.gz UVMKKKOBYWMJSS-UHFFFAOYSA-N -1 3 331.379 2.764 20 30 EFEDHM C#Cc1ccc(NC(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001588373844 1092935650 /nfs/dbraw/zinc/93/56/50/1092935650.db2.gz UVMKKKOBYWMJSS-UHFFFAOYSA-N -1 3 331.379 2.764 20 30 EFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2ccccc2)nc1 ZINC001588381406 1092936561 /nfs/dbraw/zinc/93/65/61/1092936561.db2.gz AVIVFNWKVZJBIA-UHFFFAOYSA-N -1 3 342.366 2.770 20 30 EFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2ccccc2)nc1 ZINC001588381406 1092936570 /nfs/dbraw/zinc/93/65/70/1092936570.db2.gz AVIVFNWKVZJBIA-UHFFFAOYSA-N -1 3 342.366 2.770 20 30 EFEDHM C=C(C)C[C@H](CO)Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588404780 1092942588 /nfs/dbraw/zinc/94/25/88/1092942588.db2.gz KIURISVXRAXPOE-SNVBAGLBSA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)C[C@H](CO)Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588404780 1092942596 /nfs/dbraw/zinc/94/25/96/1092942596.db2.gz KIURISVXRAXPOE-SNVBAGLBSA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)CNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001588429723 1092944283 /nfs/dbraw/zinc/94/42/83/1092944283.db2.gz FUUFXCGZGCVKFI-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM C=C(C)CNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001588429723 1092944290 /nfs/dbraw/zinc/94/42/90/1092944290.db2.gz FUUFXCGZGCVKFI-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1ccc(-c2nn[n-]n2)o1 ZINC001588430029 1092944937 /nfs/dbraw/zinc/94/49/37/1092944937.db2.gz KKAYWDXWKBDGNF-UHFFFAOYSA-N -1 3 341.419 2.815 20 30 EFEDHM C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588426222 1092945468 /nfs/dbraw/zinc/94/54/68/1092945468.db2.gz QPMSHDVBUDGXNN-UHFFFAOYSA-N -1 3 349.398 2.872 20 30 EFEDHM C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588426222 1092945478 /nfs/dbraw/zinc/94/54/78/1092945478.db2.gz QPMSHDVBUDGXNN-UHFFFAOYSA-N -1 3 349.398 2.872 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588425743 1092945498 /nfs/dbraw/zinc/94/54/98/1092945498.db2.gz RVMNAAXEAVVDDU-INIZCTEOSA-N -1 3 343.431 2.695 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588425743 1092945511 /nfs/dbraw/zinc/94/55/11/1092945511.db2.gz RVMNAAXEAVVDDU-INIZCTEOSA-N -1 3 343.431 2.695 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001588456760 1092946997 /nfs/dbraw/zinc/94/69/97/1092946997.db2.gz UVCRKVBBENXJBJ-TXEJJXNPSA-N -1 3 334.383 2.671 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001588456760 1092947007 /nfs/dbraw/zinc/94/70/07/1092947007.db2.gz UVCRKVBBENXJBJ-TXEJJXNPSA-N -1 3 334.383 2.671 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588486572 1092949397 /nfs/dbraw/zinc/94/93/97/1092949397.db2.gz GBARHKDQRTYMNG-UHFFFAOYSA-N -1 3 327.432 2.908 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588486572 1092949407 /nfs/dbraw/zinc/94/94/07/1092949407.db2.gz GBARHKDQRTYMNG-UHFFFAOYSA-N -1 3 327.432 2.908 20 30 EFEDHM C=C[C@H](C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588467097 1092950704 /nfs/dbraw/zinc/95/07/04/1092950704.db2.gz CCZOLABZLKDQLN-SFHVURJKSA-N -1 3 347.422 2.837 20 30 EFEDHM C=C[C@H](C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588467097 1092950712 /nfs/dbraw/zinc/95/07/12/1092950712.db2.gz CCZOLABZLKDQLN-SFHVURJKSA-N -1 3 347.422 2.837 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588522775 1092951635 /nfs/dbraw/zinc/95/16/35/1092951635.db2.gz FTRBJXPOKZTEIF-NSHDSACASA-N -1 3 331.445 2.807 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588522775 1092951644 /nfs/dbraw/zinc/95/16/44/1092951644.db2.gz FTRBJXPOKZTEIF-NSHDSACASA-N -1 3 331.445 2.807 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588498473 1092951976 /nfs/dbraw/zinc/95/19/76/1092951976.db2.gz ADICVILYXHEVIT-HNNXBMFYSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588498473 1092951983 /nfs/dbraw/zinc/95/19/83/1092951983.db2.gz ADICVILYXHEVIT-HNNXBMFYSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C[C@@](C)(CCOC)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588499573 1092952149 /nfs/dbraw/zinc/95/21/49/1092952149.db2.gz KLUGZLRORYXNIG-KRWDZBQOSA-N -1 3 330.388 2.561 20 30 EFEDHM C=C[C@@](C)(CCOC)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588499573 1092952159 /nfs/dbraw/zinc/95/21/59/1092952159.db2.gz KLUGZLRORYXNIG-KRWDZBQOSA-N -1 3 330.388 2.561 20 30 EFEDHM C=C[C@@H](C)OC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588518871 1092953521 /nfs/dbraw/zinc/95/35/21/1092953521.db2.gz MKZPIHGBLJONND-LLVKDONJSA-N -1 3 340.339 2.770 20 30 EFEDHM C=C[C@@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588515607 1092953705 /nfs/dbraw/zinc/95/37/05/1092953705.db2.gz FSOVJIZBMLCMLW-SNVBAGLBSA-N -1 3 330.392 2.740 20 30 EFEDHM C=C[C@@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588515607 1092953715 /nfs/dbraw/zinc/95/37/15/1092953715.db2.gz FSOVJIZBMLCMLW-SNVBAGLBSA-N -1 3 330.392 2.740 20 30 EFEDHM C=C[C@H](CC)CC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588522774 1092953734 /nfs/dbraw/zinc/95/37/34/1092953734.db2.gz FTRBJXPOKZTEIF-LLVKDONJSA-N -1 3 331.445 2.807 20 30 EFEDHM C=C[C@H](CC)CC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588522774 1092953744 /nfs/dbraw/zinc/95/37/44/1092953744.db2.gz FTRBJXPOKZTEIF-LLVKDONJSA-N -1 3 331.445 2.807 20 30 EFEDHM C=CC[C@H](CC)NC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588541308 1092954441 /nfs/dbraw/zinc/95/44/41/1092954441.db2.gz LXCSMAMJPAZZIF-AWEZNQCLSA-N -1 3 329.379 2.508 20 30 EFEDHM C=CC[C@H](CC)NC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588541308 1092954451 /nfs/dbraw/zinc/95/44/51/1092954451.db2.gz LXCSMAMJPAZZIF-AWEZNQCLSA-N -1 3 329.379 2.508 20 30 EFEDHM C=CC[C@H](CC)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588541764 1092954539 /nfs/dbraw/zinc/95/45/39/1092954539.db2.gz RVIONWAQNFGSRJ-BBRMVZONSA-N -1 3 343.431 2.741 20 30 EFEDHM C=CC[C@H](CC)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588541764 1092954549 /nfs/dbraw/zinc/95/45/49/1092954549.db2.gz RVIONWAQNFGSRJ-BBRMVZONSA-N -1 3 343.431 2.741 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588539367 1092954711 /nfs/dbraw/zinc/95/47/11/1092954711.db2.gz ISCOHYMLIGXSKT-HNNXBMFYSA-N -1 3 340.431 2.756 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588539367 1092954718 /nfs/dbraw/zinc/95/47/18/1092954718.db2.gz ISCOHYMLIGXSKT-HNNXBMFYSA-N -1 3 340.431 2.756 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588541765 1092955006 /nfs/dbraw/zinc/95/50/06/1092955006.db2.gz RVIONWAQNFGSRJ-CJNGLKHVSA-N -1 3 343.431 2.741 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588541765 1092955016 /nfs/dbraw/zinc/95/50/16/1092955016.db2.gz RVIONWAQNFGSRJ-CJNGLKHVSA-N -1 3 343.431 2.741 20 30 EFEDHM C=CC[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001588530434 1092955405 /nfs/dbraw/zinc/95/54/05/1092955405.db2.gz LSWNRBNUJQLVBX-CQSZACIVSA-N -1 3 339.424 2.904 20 30 EFEDHM C=CC[C@H](CC)NC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588541290 1092955424 /nfs/dbraw/zinc/95/54/24/1092955424.db2.gz LPNIXTUSQHNYEN-AWEZNQCLSA-N -1 3 331.395 2.754 20 30 EFEDHM C=CC[C@H](CC)NC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588541290 1092955429 /nfs/dbraw/zinc/95/54/29/1092955429.db2.gz LPNIXTUSQHNYEN-AWEZNQCLSA-N -1 3 331.395 2.754 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588542351 1092957136 /nfs/dbraw/zinc/95/71/36/1092957136.db2.gz YTUDEHBNEFRHIF-INIZCTEOSA-N -1 3 340.431 2.919 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588542351 1092957149 /nfs/dbraw/zinc/95/71/49/1092957149.db2.gz YTUDEHBNEFRHIF-INIZCTEOSA-N -1 3 340.431 2.919 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CCCC1 ZINC001588556790 1092958436 /nfs/dbraw/zinc/95/84/36/1092958436.db2.gz SWBMKCUHEGQUHP-UHFFFAOYSA-N -1 3 341.415 2.628 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)CCCC1 ZINC001588556790 1092958444 /nfs/dbraw/zinc/95/84/44/1092958444.db2.gz SWBMKCUHEGQUHP-UHFFFAOYSA-N -1 3 341.415 2.628 20 30 EFEDHM C=C(C)C[C@H]([NH2+]Cc1cc(Br)cc(C)c1[O-])C(=O)[O-] ZINC001588552813 1092958620 /nfs/dbraw/zinc/95/86/20/1092958620.db2.gz ATELEJPHBQOWFO-LBPRGKRZSA-N -1 3 328.206 2.972 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC001588558521 1092960154 /nfs/dbraw/zinc/96/01/54/1092960154.db2.gz ACVHYMILUBIFKI-LBPRGKRZSA-N -1 3 342.403 2.695 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC001588558521 1092960162 /nfs/dbraw/zinc/96/01/62/1092960162.db2.gz ACVHYMILUBIFKI-LBPRGKRZSA-N -1 3 342.403 2.695 20 30 EFEDHM C=CCC1(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001588557335 1092961353 /nfs/dbraw/zinc/96/13/53/1092961353.db2.gz LQCIQGHYPBNLRZ-UHFFFAOYSA-N -1 3 344.394 2.694 20 30 EFEDHM C=CCC1(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001588557335 1092961357 /nfs/dbraw/zinc/96/13/57/1092961357.db2.gz LQCIQGHYPBNLRZ-UHFFFAOYSA-N -1 3 344.394 2.694 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588560539 1092962185 /nfs/dbraw/zinc/96/21/85/1092962185.db2.gz SEYRKUXPLRGEQQ-CZUORRHYSA-N -1 3 340.431 2.530 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588579403 1092964358 /nfs/dbraw/zinc/96/43/58/1092964358.db2.gz MKWUNDDXGQYHEB-AWEZNQCLSA-N -1 3 343.456 2.916 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588579403 1092964365 /nfs/dbraw/zinc/96/43/65/1092964365.db2.gz MKWUNDDXGQYHEB-AWEZNQCLSA-N -1 3 343.456 2.916 20 30 EFEDHM C=CCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)[nH]c1C)c1ccccc1 ZINC001588579207 1092964915 /nfs/dbraw/zinc/96/49/15/1092964915.db2.gz KOKNOTDHJGTJAP-HNNXBMFYSA-N -1 3 336.399 2.941 20 30 EFEDHM C=CCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)[nH]c1C)c1ccccc1 ZINC001588579207 1092964919 /nfs/dbraw/zinc/96/49/19/1092964919.db2.gz KOKNOTDHJGTJAP-HNNXBMFYSA-N -1 3 336.399 2.941 20 30 EFEDHM C=CCCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588600414 1092966424 /nfs/dbraw/zinc/96/64/24/1092966424.db2.gz AAWMZXJQMGRVEP-UHFFFAOYSA-N -1 3 338.415 2.632 20 30 EFEDHM C=CCCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588600414 1092966433 /nfs/dbraw/zinc/96/64/33/1092966433.db2.gz AAWMZXJQMGRVEP-UHFFFAOYSA-N -1 3 338.415 2.632 20 30 EFEDHM C=CCCCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001588595976 1092967389 /nfs/dbraw/zinc/96/73/89/1092967389.db2.gz CITWSOCOPVKOAW-UHFFFAOYSA-N -1 3 331.424 2.901 20 30 EFEDHM C=CCCCCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001588595976 1092967396 /nfs/dbraw/zinc/96/73/96/1092967396.db2.gz CITWSOCOPVKOAW-UHFFFAOYSA-N -1 3 331.424 2.901 20 30 EFEDHM C=CCCCCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588593878 1092968463 /nfs/dbraw/zinc/96/84/63/1092968463.db2.gz JVMHIOFXNYMZEZ-UHFFFAOYSA-N -1 3 349.460 2.672 20 30 EFEDHM C=CCCCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588593878 1092968468 /nfs/dbraw/zinc/96/84/68/1092968468.db2.gz JVMHIOFXNYMZEZ-UHFFFAOYSA-N -1 3 349.460 2.672 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1cc2ccccc2cc1-c1nnn[n-]1 ZINC001588610625 1092969687 /nfs/dbraw/zinc/96/96/87/1092969687.db2.gz IUPCZINNTYOWAX-LBPRGKRZSA-N -1 3 337.383 2.940 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1cc2ccccc2cc1-c1nn[n-]n1 ZINC001588610625 1092969697 /nfs/dbraw/zinc/96/96/97/1092969697.db2.gz IUPCZINNTYOWAX-LBPRGKRZSA-N -1 3 337.383 2.940 20 30 EFEDHM C=CCCNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588609134 1092969948 /nfs/dbraw/zinc/96/99/48/1092969948.db2.gz KDQOCHYCYYXOJZ-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588609134 1092969952 /nfs/dbraw/zinc/96/99/52/1092969952.db2.gz KDQOCHYCYYXOJZ-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)C1CCC1 ZINC001588638408 1092970960 /nfs/dbraw/zinc/97/09/60/1092970960.db2.gz CAEZEEIQBIVULU-ZDUSSCGKSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)C1CCC1 ZINC001588638408 1092970975 /nfs/dbraw/zinc/97/09/75/1092970975.db2.gz CAEZEEIQBIVULU-ZDUSSCGKSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(CC=C)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588632102 1092972127 /nfs/dbraw/zinc/97/21/27/1092972127.db2.gz SNAYYFBGAKVRAO-UHFFFAOYSA-N -1 3 338.198 2.988 20 30 EFEDHM C=CCN(CC=C)C(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588632102 1092972133 /nfs/dbraw/zinc/97/21/33/1092972133.db2.gz SNAYYFBGAKVRAO-UHFFFAOYSA-N -1 3 338.198 2.988 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001588638518 1092972270 /nfs/dbraw/zinc/97/22/70/1092972270.db2.gz DVOGYDURXAPMHQ-CQSZACIVSA-N -1 3 347.369 2.817 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001588638518 1092972279 /nfs/dbraw/zinc/97/22/79/1092972279.db2.gz DVOGYDURXAPMHQ-CQSZACIVSA-N -1 3 347.369 2.817 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1CCCC1 ZINC001588639614 1092972458 /nfs/dbraw/zinc/97/24/58/1092972458.db2.gz CVWQNLNSMKVHGU-UHFFFAOYSA-N -1 3 325.416 2.962 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1CCCC1 ZINC001588639614 1092972461 /nfs/dbraw/zinc/97/24/61/1092972461.db2.gz CVWQNLNSMKVHGU-UHFFFAOYSA-N -1 3 325.416 2.962 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C=CCCC1 ZINC001588641709 1092973186 /nfs/dbraw/zinc/97/31/86/1092973186.db2.gz KSSKWHIWAUXVFT-INIZCTEOSA-N -1 3 338.415 2.673 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C=CCCC1 ZINC001588641709 1092973194 /nfs/dbraw/zinc/97/31/94/1092973194.db2.gz KSSKWHIWAUXVFT-INIZCTEOSA-N -1 3 338.415 2.673 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)OCCCC ZINC001588639770 1092973247 /nfs/dbraw/zinc/97/32/47/1092973247.db2.gz WPZMHGBKNOZQSN-CQSZACIVSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)OCCCC ZINC001588639770 1092973255 /nfs/dbraw/zinc/97/32/55/1092973255.db2.gz WPZMHGBKNOZQSN-CQSZACIVSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001588638423 1092973352 /nfs/dbraw/zinc/97/33/52/1092973352.db2.gz CCTDMVAYMSQWCR-KKBVYLPWSA-N -1 3 337.427 2.673 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC001588638423 1092973364 /nfs/dbraw/zinc/97/33/64/1092973364.db2.gz CCTDMVAYMSQWCR-KKBVYLPWSA-N -1 3 337.427 2.673 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1C#N ZINC001588648074 1092974484 /nfs/dbraw/zinc/97/44/84/1092974484.db2.gz GBPFQBKRMGJNCJ-UHFFFAOYSA-N -1 3 330.395 2.927 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1C#N ZINC001588648074 1092974497 /nfs/dbraw/zinc/97/44/97/1092974497.db2.gz GBPFQBKRMGJNCJ-UHFFFAOYSA-N -1 3 330.395 2.927 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588653549 1092974735 /nfs/dbraw/zinc/97/47/35/1092974735.db2.gz LVVLYFCVPZIMMD-UHFFFAOYSA-N -1 3 337.358 2.834 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588653549 1092974743 /nfs/dbraw/zinc/97/47/43/1092974743.db2.gz LVVLYFCVPZIMMD-UHFFFAOYSA-N -1 3 337.358 2.834 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588653389 1092975053 /nfs/dbraw/zinc/97/50/53/1092975053.db2.gz GBERUSQQBWZMEV-UHFFFAOYSA-N -1 3 348.410 2.765 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588653389 1092975061 /nfs/dbraw/zinc/97/50/61/1092975061.db2.gz GBERUSQQBWZMEV-UHFFFAOYSA-N -1 3 348.410 2.765 20 30 EFEDHM C=CCN(Cc1noc(C(C)C)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588652282 1092975446 /nfs/dbraw/zinc/97/54/46/1092975446.db2.gz RCKUFMPPVYBXFR-UHFFFAOYSA-N -1 3 339.403 2.561 20 30 EFEDHM C=CCN(Cc1noc(C(C)C)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652282 1092975448 /nfs/dbraw/zinc/97/54/48/1092975448.db2.gz RCKUFMPPVYBXFR-UHFFFAOYSA-N -1 3 339.403 2.561 20 30 EFEDHM C=CCN(Cc1c(C)noc1CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588647771 1092975647 /nfs/dbraw/zinc/97/56/47/1092975647.db2.gz BNFQXTHIXDBRRD-UHFFFAOYSA-N -1 3 338.415 2.914 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(F)ncc1F ZINC001588648619 1092975996 /nfs/dbraw/zinc/97/59/96/1092975996.db2.gz NFMBKTVLJQZVEK-UHFFFAOYSA-N -1 3 342.353 2.728 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(F)ncc1F ZINC001588648619 1092976006 /nfs/dbraw/zinc/97/60/06/1092976006.db2.gz NFMBKTVLJQZVEK-UHFFFAOYSA-N -1 3 342.353 2.728 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001588688929 1092977852 /nfs/dbraw/zinc/97/78/52/1092977852.db2.gz CTTOQCXKUSVNME-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001588688929 1092977856 /nfs/dbraw/zinc/97/78/56/1092977856.db2.gz CTTOQCXKUSVNME-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@@H](C)C[C@H]2C ZINC001588680751 1092977958 /nfs/dbraw/zinc/97/79/58/1092977958.db2.gz BLCIWAZOIFPWER-VHSXEESVSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@@H](C)C[C@H]2C ZINC001588680751 1092977969 /nfs/dbraw/zinc/97/79/69/1092977969.db2.gz BLCIWAZOIFPWER-VHSXEESVSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588682736 1092978088 /nfs/dbraw/zinc/97/80/88/1092978088.db2.gz RPWANLGZJYLABC-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=CCOCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588682736 1092978098 /nfs/dbraw/zinc/97/80/98/1092978098.db2.gz RPWANLGZJYLABC-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001588689989 1092979340 /nfs/dbraw/zinc/97/93/40/1092979340.db2.gz RPTNCCVFKXVMEG-UHFFFAOYSA-N -1 3 336.351 2.959 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001588689989 1092979351 /nfs/dbraw/zinc/97/93/51/1092979351.db2.gz RPTNCCVFKXVMEG-UHFFFAOYSA-N -1 3 336.351 2.959 20 30 EFEDHM C=CCOc1ccc(COC(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001588689972 1092980133 /nfs/dbraw/zinc/98/01/33/1092980133.db2.gz QTONCNIJWPJRJN-UHFFFAOYSA-N -1 3 342.380 2.850 20 30 EFEDHM C=CCOc1ccc(COC(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001588689972 1092980139 /nfs/dbraw/zinc/98/01/39/1092980139.db2.gz QTONCNIJWPJRJN-UHFFFAOYSA-N -1 3 342.380 2.850 20 30 EFEDHM C=CCOc1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588689853 1092980510 /nfs/dbraw/zinc/98/05/10/1092980510.db2.gz SWQQKDBKWIGHCR-UHFFFAOYSA-N -1 3 335.367 2.708 20 30 EFEDHM C=CCOc1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588689853 1092980521 /nfs/dbraw/zinc/98/05/21/1092980521.db2.gz SWQQKDBKWIGHCR-UHFFFAOYSA-N -1 3 335.367 2.708 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1CNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001588728078 1092980844 /nfs/dbraw/zinc/98/08/44/1092980844.db2.gz MKTNUTMSCUXABD-GWCFXTLKSA-N -1 3 339.321 2.889 20 30 EFEDHM C=CCOc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588689814 1092980950 /nfs/dbraw/zinc/98/09/50/1092980950.db2.gz RDITWOQNUHLTSJ-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=CCOc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588689814 1092980958 /nfs/dbraw/zinc/98/09/58/1092980958.db2.gz RDITWOQNUHLTSJ-UHFFFAOYSA-N -1 3 336.351 2.789 20 30 EFEDHM C=Cn1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC001588737561 1092983077 /nfs/dbraw/zinc/98/30/77/1092983077.db2.gz GHEMBFMRXZUCTF-UHFFFAOYSA-N -1 3 348.292 2.629 20 30 EFEDHM C=Cn1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC001588737561 1092983085 /nfs/dbraw/zinc/98/30/85/1092983085.db2.gz GHEMBFMRXZUCTF-UHFFFAOYSA-N -1 3 348.292 2.629 20 30 EFEDHM CC(C)c1nccnc1N=NC(C)c1ccc(-c2nnn[n-]2)cc1F ZINC001588781218 1092991343 /nfs/dbraw/zinc/99/13/43/1092991343.db2.gz MYDIZFUNZGIURO-UHFFFAOYSA-N -1 3 340.366 2.755 20 30 EFEDHM CC(C)c1nccnc1N=NC(C)c1ccc(-c2nn[n-]n2)cc1F ZINC001588781218 1092991350 /nfs/dbraw/zinc/99/13/50/1092991350.db2.gz MYDIZFUNZGIURO-UHFFFAOYSA-N -1 3 340.366 2.755 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccc2)c1 ZINC001588781023 1092992055 /nfs/dbraw/zinc/99/20/55/1092992055.db2.gz XTYPUQYMLRMPCT-UHFFFAOYSA-N -1 3 344.382 2.889 20 30 EFEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001588780888 1092993184 /nfs/dbraw/zinc/99/31/84/1092993184.db2.gz RXCGXTDUBIAKGI-JTQLQIEISA-N -1 3 345.407 2.568 20 30 EFEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC001588780888 1092993190 /nfs/dbraw/zinc/99/31/90/1092993190.db2.gz RXCGXTDUBIAKGI-JTQLQIEISA-N -1 3 345.407 2.568 20 30 EFEDHM CC(=NNCc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001588777261 1092993317 /nfs/dbraw/zinc/99/33/17/1092993317.db2.gz KEHVWOBGRMGRRH-UHFFFAOYSA-N -1 3 343.394 2.929 20 30 EFEDHM CC(=NNCc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001588777261 1092993328 /nfs/dbraw/zinc/99/33/28/1092993328.db2.gz KEHVWOBGRMGRRH-UHFFFAOYSA-N -1 3 343.394 2.929 20 30 EFEDHM C[C@@](C#N)(NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001588924419 1093012670 /nfs/dbraw/zinc/01/26/70/1093012670.db2.gz NWVNCMUEIXCWBC-KRWDZBQOSA-N -1 3 342.378 2.598 20 30 EFEDHM C[C@@](C#N)(NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001588924419 1093012677 /nfs/dbraw/zinc/01/26/77/1093012677.db2.gz NWVNCMUEIXCWBC-KRWDZBQOSA-N -1 3 342.378 2.598 20 30 EFEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1cccc(C#N)c1F ZINC001588920684 1093013292 /nfs/dbraw/zinc/01/32/92/1093013292.db2.gz UCQHVCKLKPCVMB-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1cccc(C#N)c1F ZINC001588920684 1093013297 /nfs/dbraw/zinc/01/32/97/1093013297.db2.gz UCQHVCKLKPCVMB-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(-c2nnn[n-]2)cc1C ZINC001588920013 1093014415 /nfs/dbraw/zinc/01/44/15/1093014415.db2.gz JPPSLLXSGVBOLM-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1ccc(-c2nn[n-]n2)cc1C ZINC001588920013 1093014421 /nfs/dbraw/zinc/01/44/21/1093014421.db2.gz JPPSLLXSGVBOLM-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC001589036020 1093019775 /nfs/dbraw/zinc/01/97/75/1093019775.db2.gz JFGPUAZAGDJABQ-UHFFFAOYSA-N -1 3 338.396 2.982 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC001589036020 1093019782 /nfs/dbraw/zinc/01/97/82/1093019782.db2.gz JFGPUAZAGDJABQ-UHFFFAOYSA-N -1 3 338.396 2.982 20 30 EFEDHM CC(C)(C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589059165 1093023497 /nfs/dbraw/zinc/02/34/97/1093023497.db2.gz PAKMWDAAMLHLKR-SWLSCSKDSA-N -1 3 339.399 2.770 20 30 EFEDHM CC(C)(C(=O)O[C@@H]1CCC[C@H](C#N)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589059165 1093023505 /nfs/dbraw/zinc/02/35/05/1093023505.db2.gz PAKMWDAAMLHLKR-SWLSCSKDSA-N -1 3 339.399 2.770 20 30 EFEDHM CC(C)(C)C#CC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001589071827 1093026006 /nfs/dbraw/zinc/02/60/06/1093026006.db2.gz TUXZDIFDNWNBIJ-UHFFFAOYSA-N -1 3 348.204 2.617 20 30 EFEDHM CC(C)(C)C#CC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001589071827 1093026014 /nfs/dbraw/zinc/02/60/14/1093026014.db2.gz TUXZDIFDNWNBIJ-UHFFFAOYSA-N -1 3 348.204 2.617 20 30 EFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)s1 ZINC001589257474 1093059632 /nfs/dbraw/zinc/05/96/32/1093059632.db2.gz HQNWFJOUDNWWQU-UHFFFAOYSA-N -1 3 341.400 2.609 20 30 EFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)s1 ZINC001589257474 1093059638 /nfs/dbraw/zinc/05/96/38/1093059638.db2.gz HQNWFJOUDNWWQU-UHFFFAOYSA-N -1 3 341.400 2.609 20 30 EFEDHM CC(C)(CC#N)COC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001589267472 1093061114 /nfs/dbraw/zinc/06/11/14/1093061114.db2.gz ZKRIKSASBCABSP-UHFFFAOYSA-N -1 3 327.388 2.627 20 30 EFEDHM CC(C)(CC#N)COC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001589267472 1093061122 /nfs/dbraw/zinc/06/11/22/1093061122.db2.gz ZKRIKSASBCABSP-UHFFFAOYSA-N -1 3 327.388 2.627 20 30 EFEDHM CC(C)(NC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589317167 1093073491 /nfs/dbraw/zinc/07/34/91/1093073491.db2.gz JEPNLCRNSVETBC-UHFFFAOYSA-N -1 3 347.382 2.795 20 30 EFEDHM CC(C)(NC(=O)Nc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589317167 1093073501 /nfs/dbraw/zinc/07/35/01/1093073501.db2.gz JEPNLCRNSVETBC-UHFFFAOYSA-N -1 3 347.382 2.795 20 30 EFEDHM CC(C)CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC001589520854 1093103026 /nfs/dbraw/zinc/10/30/26/1093103026.db2.gz JJLJQBFLTRZBAS-UHFFFAOYSA-N -1 3 335.415 2.802 20 30 EFEDHM CC(C)CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC001589520854 1093103027 /nfs/dbraw/zinc/10/30/27/1093103027.db2.gz JJLJQBFLTRZBAS-UHFFFAOYSA-N -1 3 335.415 2.802 20 30 EFEDHM CC(C)O[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1(C)C ZINC001589738368 1093129656 /nfs/dbraw/zinc/12/96/56/1093129656.db2.gz VOUUZDGEGUYADE-LLVKDONJSA-N -1 3 349.826 2.907 20 30 EFEDHM CC(C)O[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1(C)C ZINC001589738368 1093129663 /nfs/dbraw/zinc/12/96/63/1093129663.db2.gz VOUUZDGEGUYADE-LLVKDONJSA-N -1 3 349.826 2.907 20 30 EFEDHM CC(C)c1cnc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC001589773061 1093140566 /nfs/dbraw/zinc/14/05/66/1093140566.db2.gz JHECYUULJXXONU-UHFFFAOYSA-N -1 3 348.823 2.941 20 30 EFEDHM CC(C)c1cnc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC001589773061 1093140570 /nfs/dbraw/zinc/14/05/70/1093140570.db2.gz JHECYUULJXXONU-UHFFFAOYSA-N -1 3 348.823 2.941 20 30 EFEDHM CC(C)c1nc(CCNc2c(C#N)cccc2-c2nnn[n-]2)cs1 ZINC001589775543 1093143308 /nfs/dbraw/zinc/14/33/08/1093143308.db2.gz AUHAECMZEUVPHY-UHFFFAOYSA-N -1 3 339.428 2.973 20 30 EFEDHM CC(C)c1nc(CCNc2c(C#N)cccc2-c2nn[n-]n2)cs1 ZINC001589775543 1093143312 /nfs/dbraw/zinc/14/33/12/1093143312.db2.gz AUHAECMZEUVPHY-UHFFFAOYSA-N -1 3 339.428 2.973 20 30 EFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001589787293 1093146325 /nfs/dbraw/zinc/14/63/25/1093146325.db2.gz JCAUQDPXZLSRSX-SNVBAGLBSA-N -1 3 325.376 2.510 20 30 EFEDHM C[C@H](CC#N)N(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001589787293 1093146331 /nfs/dbraw/zinc/14/63/31/1093146331.db2.gz JCAUQDPXZLSRSX-SNVBAGLBSA-N -1 3 325.376 2.510 20 30 EFEDHM C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)N1CCc2ccccc21 ZINC001589875293 1093163008 /nfs/dbraw/zinc/16/30/08/1093163008.db2.gz DEOUCODPHDBQFY-CYBMUJFWSA-N -1 3 345.410 2.601 20 30 EFEDHM C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)N1CCc2ccccc21 ZINC001589875293 1093163012 /nfs/dbraw/zinc/16/30/12/1093163012.db2.gz DEOUCODPHDBQFY-CYBMUJFWSA-N -1 3 345.410 2.601 20 30 EFEDHM C[C@H](COC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001589883387 1093164727 /nfs/dbraw/zinc/16/47/27/1093164727.db2.gz DPPRPBFWTFFIPP-IUODEOHRSA-N -1 3 341.415 2.774 20 30 EFEDHM C[C@H](COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001589883387 1093164729 /nfs/dbraw/zinc/16/47/29/1093164729.db2.gz DPPRPBFWTFFIPP-IUODEOHRSA-N -1 3 341.415 2.774 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC001589891187 1093168371 /nfs/dbraw/zinc/16/83/71/1093168371.db2.gz CDODVDUJZKEFDC-ZDUSSCGKSA-N -1 3 346.394 2.750 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC001589891187 1093168380 /nfs/dbraw/zinc/16/83/80/1093168380.db2.gz CDODVDUJZKEFDC-ZDUSSCGKSA-N -1 3 346.394 2.750 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NO[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001589904857 1093176098 /nfs/dbraw/zinc/17/60/98/1093176098.db2.gz YSYLRGGMZZUKHO-CQSZACIVSA-N -1 3 339.403 2.834 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NO[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001589904857 1093176102 /nfs/dbraw/zinc/17/61/02/1093176102.db2.gz YSYLRGGMZZUKHO-CQSZACIVSA-N -1 3 339.403 2.834 20 30 EFEDHM C[C@H](F)CCNc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001589912767 1093177745 /nfs/dbraw/zinc/17/77/45/1093177745.db2.gz ZJBFVRGADSQNFC-NSHDSACASA-N -1 3 343.410 2.952 20 30 EFEDHM C[C@H](F)CCNc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589912767 1093177749 /nfs/dbraw/zinc/17/77/49/1093177749.db2.gz ZJBFVRGADSQNFC-NSHDSACASA-N -1 3 343.410 2.952 20 30 EFEDHM C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589918001 1093177879 /nfs/dbraw/zinc/17/78/79/1093177879.db2.gz IIAJRDBVUOAZQL-GUYCJALGSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589918001 1093177884 /nfs/dbraw/zinc/17/78/84/1093177884.db2.gz IIAJRDBVUOAZQL-GUYCJALGSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@@H](Nc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001589978246 1093206208 /nfs/dbraw/zinc/20/62/08/1093206208.db2.gz KACIKQRVVRZZEU-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001589978246 1093206211 /nfs/dbraw/zinc/20/62/11/1093206211.db2.gz KACIKQRVVRZZEU-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccc(C#N)cc1 ZINC001589992614 1093213274 /nfs/dbraw/zinc/21/32/74/1093213274.db2.gz YAMPHQOOXVDDBM-NSHDSACASA-N -1 3 331.383 2.795 20 30 EFEDHM C[C@H](Nc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc(C#N)cc1 ZINC001589992614 1093213282 /nfs/dbraw/zinc/21/32/82/1093213282.db2.gz YAMPHQOOXVDDBM-NSHDSACASA-N -1 3 331.383 2.795 20 30 EFEDHM C[C@@H](Nc1nc2c(cc1-c1nnn[n-]1)CCC2)c1ccc(C#N)cc1 ZINC001589992612 1093213891 /nfs/dbraw/zinc/21/38/91/1093213891.db2.gz YAMPHQOOXVDDBM-LLVKDONJSA-N -1 3 331.383 2.795 20 30 EFEDHM C[C@@H](Nc1nc2c(cc1-c1nn[n-]n1)CCC2)c1ccc(C#N)cc1 ZINC001589992612 1093213899 /nfs/dbraw/zinc/21/38/99/1093213899.db2.gz YAMPHQOOXVDDBM-LLVKDONJSA-N -1 3 331.383 2.795 20 30 EFEDHM C[C@H](OC(=O)C1(C#N)CCSCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590004472 1093215631 /nfs/dbraw/zinc/21/56/31/1093215631.db2.gz INACDCATFIVKGF-NSHDSACASA-N -1 3 343.412 2.508 20 30 EFEDHM C[C@H](OC(=O)C1(C#N)CCSCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590004472 1093215643 /nfs/dbraw/zinc/21/56/43/1093215643.db2.gz INACDCATFIVKGF-NSHDSACASA-N -1 3 343.412 2.508 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cccc(C#N)c1 ZINC001590044817 1093238232 /nfs/dbraw/zinc/23/82/32/1093238232.db2.gz XZQOJEWEMMVYTK-GFCCVEGCSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cccc(C#N)c1 ZINC001590044817 1093238237 /nfs/dbraw/zinc/23/82/37/1093238237.db2.gz XZQOJEWEMMVYTK-GFCCVEGCSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001590049381 1093241975 /nfs/dbraw/zinc/24/19/75/1093241975.db2.gz OETBBYUTAQGHKS-GFCCVEGCSA-N -1 3 347.382 2.963 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001590049381 1093241981 /nfs/dbraw/zinc/24/19/81/1093241981.db2.gz OETBBYUTAQGHKS-GFCCVEGCSA-N -1 3 347.382 2.963 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590048014 1093242462 /nfs/dbraw/zinc/24/24/62/1093242462.db2.gz BIABSSAHVAXQGC-ZDUSSCGKSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590048014 1093242470 /nfs/dbraw/zinc/24/24/70/1093242470.db2.gz BIABSSAHVAXQGC-ZDUSSCGKSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590048013 1093242737 /nfs/dbraw/zinc/24/27/37/1093242737.db2.gz BIABSSAHVAXQGC-CYBMUJFWSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590048013 1093242744 /nfs/dbraw/zinc/24/27/44/1093242744.db2.gz BIABSSAHVAXQGC-CYBMUJFWSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@@]1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)C1 ZINC001590054773 1093247660 /nfs/dbraw/zinc/24/76/60/1093247660.db2.gz NTZKHJXEEOVYRS-INIZCTEOSA-N -1 3 339.790 2.808 20 30 EFEDHM C[C@@]1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)C1 ZINC001590054773 1093247669 /nfs/dbraw/zinc/24/76/69/1093247669.db2.gz NTZKHJXEEOVYRS-INIZCTEOSA-N -1 3 339.790 2.808 20 30 EFEDHM C[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC001590165563 1093290786 /nfs/dbraw/zinc/29/07/86/1093290786.db2.gz MWHHMQSPUDQAIK-YMRXKLBXSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC001590165563 1093290794 /nfs/dbraw/zinc/29/07/94/1093290794.db2.gz MWHHMQSPUDQAIK-YMRXKLBXSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)C1 ZINC001590241851 1093329347 /nfs/dbraw/zinc/32/93/47/1093329347.db2.gz YLJLPWMROJXFSG-ADLMAVQZSA-N -1 3 349.398 2.550 20 30 EFEDHM C[C@@H]1CN(c2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)[C@@H]1C ZINC001590317246 1093372897 /nfs/dbraw/zinc/37/28/97/1093372897.db2.gz WENVYAYJFQXSNP-VXGBXAGGSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@@H]1CN(c2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)[C@@H]1C ZINC001590317246 1093372901 /nfs/dbraw/zinc/37/29/01/1093372901.db2.gz WENVYAYJFQXSNP-VXGBXAGGSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@@H]1[C@@H](C)CN1c1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001590316127 1093373547 /nfs/dbraw/zinc/37/35/47/1093373547.db2.gz KIPVIWDLRSIXPX-NWDGAFQWSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@@H]1[C@@H](C)CN1c1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001590316127 1093373556 /nfs/dbraw/zinc/37/35/56/1093373556.db2.gz KIPVIWDLRSIXPX-NWDGAFQWSA-N -1 3 337.431 2.637 20 30 EFEDHM CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001590367212 1093391862 /nfs/dbraw/zinc/39/18/62/1093391862.db2.gz HPSZPPJIEVWYDY-LLVKDONJSA-N -1 3 349.354 2.542 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001590372099 1093396606 /nfs/dbraw/zinc/39/66/06/1093396606.db2.gz OPJSNSRCRSSBSR-CYBMUJFWSA-N -1 3 338.293 2.764 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001590372099 1093396614 /nfs/dbraw/zinc/39/66/14/1093396614.db2.gz OPJSNSRCRSSBSR-CYBMUJFWSA-N -1 3 338.293 2.764 20 30 EFEDHM CC[C@H](C)Cc1noc([C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001590409578 1093407914 /nfs/dbraw/zinc/40/79/14/1093407914.db2.gz LVPRBSRXBCBAMD-SMDDNHRTSA-N -1 3 337.387 2.688 20 30 EFEDHM CC[C@H](C)Cc1noc([C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001590409578 1093407917 /nfs/dbraw/zinc/40/79/17/1093407917.db2.gz LVPRBSRXBCBAMD-SMDDNHRTSA-N -1 3 337.387 2.688 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001590433547 1093420541 /nfs/dbraw/zinc/42/05/41/1093420541.db2.gz HDPOIXAKFAPTPW-UHFFFAOYSA-N -1 3 344.394 2.798 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001590433547 1093420544 /nfs/dbraw/zinc/42/05/44/1093420544.db2.gz HDPOIXAKFAPTPW-UHFFFAOYSA-N -1 3 344.394 2.798 20 30 EFEDHM CCC[C@@H](C#N)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001590538751 1093476182 /nfs/dbraw/zinc/47/61/82/1093476182.db2.gz MZMLJDFAUVRGSA-NSHDSACASA-N -1 3 340.412 2.812 20 30 EFEDHM CCC[C@@H](C#N)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001590538751 1093476187 /nfs/dbraw/zinc/47/61/87/1093476187.db2.gz MZMLJDFAUVRGSA-NSHDSACASA-N -1 3 340.412 2.812 20 30 EFEDHM CCCCCCN(O)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001590594666 1093505148 /nfs/dbraw/zinc/50/51/48/1093505148.db2.gz QZCSGKLRMHQFLL-UHFFFAOYSA-N -1 3 325.319 2.557 20 30 EFEDHM CCCCCCCC(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001590593053 1093505213 /nfs/dbraw/zinc/50/52/13/1093505213.db2.gz UXUHBEQNDQFLSZ-UHFFFAOYSA-N -1 3 331.420 2.852 20 30 EFEDHM CCCCCCCC(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001590593053 1093505222 /nfs/dbraw/zinc/50/52/22/1093505222.db2.gz UXUHBEQNDQFLSZ-UHFFFAOYSA-N -1 3 331.420 2.852 20 30 EFEDHM CCCCCCCC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590592989 1093506822 /nfs/dbraw/zinc/50/68/22/1093506822.db2.gz RFNZPMRODVTMMY-UHFFFAOYSA-N -1 3 345.403 2.709 20 30 EFEDHM CCCCCCCC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590592989 1093506832 /nfs/dbraw/zinc/50/68/32/1093506832.db2.gz RFNZPMRODVTMMY-UHFFFAOYSA-N -1 3 345.403 2.709 20 30 EFEDHM CCN(C(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C)[C@H](C)C#N ZINC001590678665 1093544942 /nfs/dbraw/zinc/54/49/42/1093544942.db2.gz XEZRZKNPAHWJRZ-SECBINFHSA-N -1 3 340.412 2.764 20 30 EFEDHM CCN(C(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C)[C@H](C)C#N ZINC001590678665 1093544950 /nfs/dbraw/zinc/54/49/50/1093544950.db2.gz XEZRZKNPAHWJRZ-SECBINFHSA-N -1 3 340.412 2.764 20 30 EFEDHM CCN(C)c1ccccc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590678946 1093545769 /nfs/dbraw/zinc/54/57/69/1093545769.db2.gz JFBRPWCPWVCHAE-UHFFFAOYSA-N -1 3 333.399 2.807 20 30 EFEDHM CCN(C)c1ccccc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590678946 1093545774 /nfs/dbraw/zinc/54/57/74/1093545774.db2.gz JFBRPWCPWVCHAE-UHFFFAOYSA-N -1 3 333.399 2.807 20 30 EFEDHM CCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001590748131 1093560408 /nfs/dbraw/zinc/56/04/08/1093560408.db2.gz GMXWUDCNHWCYPO-UHFFFAOYSA-N -1 3 347.382 2.731 20 30 EFEDHM CCNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001590748131 1093560413 /nfs/dbraw/zinc/56/04/13/1093560413.db2.gz GMXWUDCNHWCYPO-UHFFFAOYSA-N -1 3 347.382 2.731 20 30 EFEDHM CCOC(=O)Nc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001590768359 1093564237 /nfs/dbraw/zinc/56/42/37/1093564237.db2.gz CMOZIDFKTWJGEJ-MNOVXSKESA-N -1 3 341.375 2.539 20 30 EFEDHM CCOC(=O)Nc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001590768359 1093564241 /nfs/dbraw/zinc/56/42/41/1093564241.db2.gz CMOZIDFKTWJGEJ-MNOVXSKESA-N -1 3 341.375 2.539 20 30 EFEDHM CCOC(=O)Nc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001590768361 1093565346 /nfs/dbraw/zinc/56/53/46/1093565346.db2.gz CMOZIDFKTWJGEJ-WDEREUQCSA-N -1 3 341.375 2.539 20 30 EFEDHM CCOC(=O)Nc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001590768361 1093565353 /nfs/dbraw/zinc/56/53/53/1093565353.db2.gz CMOZIDFKTWJGEJ-WDEREUQCSA-N -1 3 341.375 2.539 20 30 EFEDHM CCOc1cc(C=CC(=O)c2ccccc2-c2nnn[n-]2)ccc1O ZINC001590825951 1093583052 /nfs/dbraw/zinc/58/30/52/1093583052.db2.gz GPUSWXFPTFFGIU-CLFYSBASSA-N -1 3 336.351 2.867 20 30 EFEDHM CCOc1cc(C=CC(=O)c2ccccc2-c2nn[n-]n2)ccc1O ZINC001590825951 1093583058 /nfs/dbraw/zinc/58/30/58/1093583058.db2.gz GPUSWXFPTFFGIU-CLFYSBASSA-N -1 3 336.351 2.867 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001590877954 1093611089 /nfs/dbraw/zinc/61/10/89/1093611089.db2.gz HKFPKHGQVBPBEA-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001590877954 1093611092 /nfs/dbraw/zinc/61/10/92/1093611092.db2.gz HKFPKHGQVBPBEA-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC001590877708 1093611181 /nfs/dbraw/zinc/61/11/81/1093611181.db2.gz APRLZKHEYQABSH-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC001590877708 1093611186 /nfs/dbraw/zinc/61/11/86/1093611186.db2.gz APRLZKHEYQABSH-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCc1ccc2ccccc2c1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001590893119 1093622288 /nfs/dbraw/zinc/62/22/88/1093622288.db2.gz SEGGQFNUMJXXLV-UHFFFAOYSA-N -1 3 329.367 2.699 20 30 EFEDHM CCn1nc(C)c(C(=O)C=Cc2csc(-c3nnn[n-]3)c2)c1C ZINC001590963259 1093640803 /nfs/dbraw/zinc/64/08/03/1093640803.db2.gz DPJQYIHQLYCKBX-AATRIKPKSA-N -1 3 328.401 2.658 20 30 EFEDHM CN(CC(C)(C)C#N)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC001591042788 1093656837 /nfs/dbraw/zinc/65/68/37/1093656837.db2.gz WQQDSCFRDJGIJI-UHFFFAOYSA-N -1 3 343.341 2.679 20 30 EFEDHM CN(CC(C)(C)C#N)c1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC001591042788 1093656838 /nfs/dbraw/zinc/65/68/38/1093656838.db2.gz WQQDSCFRDJGIJI-UHFFFAOYSA-N -1 3 343.341 2.679 20 30 EFEDHM CO[C@@H](CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC001591325915 1093692501 /nfs/dbraw/zinc/69/25/01/1093692501.db2.gz CJYVPNVQQMJNCI-LBPRGKRZSA-N -1 3 340.309 2.708 20 30 EFEDHM CO[C@@H](CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC001591325915 1093692504 /nfs/dbraw/zinc/69/25/04/1093692504.db2.gz CJYVPNVQQMJNCI-LBPRGKRZSA-N -1 3 340.309 2.708 20 30 EFEDHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1ccccc1C#N ZINC001591479383 1093733635 /nfs/dbraw/zinc/73/36/35/1093733635.db2.gz HPPMRQUOBAVNFY-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCc1ccccc1C#N ZINC001591479383 1093733638 /nfs/dbraw/zinc/73/36/38/1093733638.db2.gz HPPMRQUOBAVNFY-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1c(C)cc(C#N)cc1C ZINC001591495624 1093743242 /nfs/dbraw/zinc/74/32/42/1093743242.db2.gz GSKXNLYPURQEIV-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1c(C)cc(C#N)cc1C ZINC001591495624 1093743251 /nfs/dbraw/zinc/74/32/51/1093743251.db2.gz GSKXNLYPURQEIV-UHFFFAOYSA-N -1 3 349.350 2.583 20 30 EFEDHM COc1cc(C#N)ccc1NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001591508654 1093745066 /nfs/dbraw/zinc/74/50/66/1093745066.db2.gz BGTATYXRMSWFOK-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(C#N)ccc1NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001591508654 1093745073 /nfs/dbraw/zinc/74/50/73/1093745073.db2.gz BGTATYXRMSWFOK-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2C#N)cc1-c1nnn[n-]1 ZINC001591582560 1093779982 /nfs/dbraw/zinc/77/99/82/1093779982.db2.gz CQYQRMJELDLTCK-SOFGYWHQSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2C#N)cc1-c1nn[n-]n1 ZINC001591582560 1093779988 /nfs/dbraw/zinc/77/99/88/1093779988.db2.gz CQYQRMJELDLTCK-SOFGYWHQSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(CN(C)c2c(C#N)cccc2-c2nnn[n-]2)cc1F ZINC001591587489 1093783212 /nfs/dbraw/zinc/78/32/12/1093783212.db2.gz LQZUDQUGCWDIRN-UHFFFAOYSA-N -1 3 338.346 2.522 20 30 EFEDHM COc1ccc(CN(C)c2c(C#N)cccc2-c2nn[n-]n2)cc1F ZINC001591587489 1093783218 /nfs/dbraw/zinc/78/32/18/1093783218.db2.gz LQZUDQUGCWDIRN-UHFFFAOYSA-N -1 3 338.346 2.522 20 30 EFEDHM COc1ccc(F)cc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001591605736 1093792528 /nfs/dbraw/zinc/79/25/28/1093792528.db2.gz FBQOGUPTBZLYIE-UHFFFAOYSA-N -1 3 347.741 2.509 20 30 EFEDHM COc1ccc(F)cc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001591605736 1093792536 /nfs/dbraw/zinc/79/25/36/1093792536.db2.gz FBQOGUPTBZLYIE-UHFFFAOYSA-N -1 3 347.741 2.509 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nnn[n-]1)C2 ZINC001591625649 1093802751 /nfs/dbraw/zinc/80/27/51/1093802751.db2.gz PJLMQDGDNFJOLP-XYOKQWHBSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cccc(F)c1-c1nn[n-]n1)C2 ZINC001591625649 1093802755 /nfs/dbraw/zinc/80/27/55/1093802755.db2.gz PJLMQDGDNFJOLP-XYOKQWHBSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)c(OC)c1)C2 ZINC001591625580 1093804273 /nfs/dbraw/zinc/80/42/73/1093804273.db2.gz MYKXVAVFYKPKFN-NTUHNPAUSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)c(OC)c1)C2 ZINC001591625580 1093804276 /nfs/dbraw/zinc/80/42/76/1093804276.db2.gz MYKXVAVFYKPKFN-NTUHNPAUSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1F ZINC001591635699 1093811323 /nfs/dbraw/zinc/81/13/23/1093811323.db2.gz ZQWUWKGUOKBUQJ-UHFFFAOYSA-N -1 3 347.741 2.509 20 30 EFEDHM C[Si](C)(C)C#CCCNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001591779287 1093857193 /nfs/dbraw/zinc/85/71/93/1093857193.db2.gz FAGXIAXWKCJQDX-UHFFFAOYSA-N -1 3 347.882 2.521 20 30 EFEDHM C[Si](C)(C)C#CCCNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001591779287 1093857198 /nfs/dbraw/zinc/85/71/98/1093857198.db2.gz FAGXIAXWKCJQDX-UHFFFAOYSA-N -1 3 347.882 2.521 20 30 EFEDHM Cc1c(C(=O)N(CCC#N)CC(C)(C)C)cccc1-c1nnn[n-]1 ZINC001591802566 1093864742 /nfs/dbraw/zinc/86/47/42/1093864742.db2.gz YMIYXUIRNDOYDV-UHFFFAOYSA-N -1 3 326.404 2.577 20 30 EFEDHM Cc1c(C(=O)N(CCC#N)CC(C)(C)C)cccc1-c1nn[n-]n1 ZINC001591802566 1093864743 /nfs/dbraw/zinc/86/47/43/1093864743.db2.gz YMIYXUIRNDOYDV-UHFFFAOYSA-N -1 3 326.404 2.577 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001591802180 1093864812 /nfs/dbraw/zinc/86/48/12/1093864812.db2.gz SZTXIOLFDIENIK-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001591802180 1093864815 /nfs/dbraw/zinc/86/48/15/1093864815.db2.gz SZTXIOLFDIENIK-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C(=O)O[C@@H](C#N)C2CCCCC2)cccc1-c1nnn[n-]1 ZINC001591812849 1093868251 /nfs/dbraw/zinc/86/82/51/1093868251.db2.gz KEXHMBCQGOTPBK-HNNXBMFYSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1c(C(=O)O[C@@H](C#N)C2CCCCC2)cccc1-c1nn[n-]n1 ZINC001591812849 1093868255 /nfs/dbraw/zinc/86/82/55/1093868255.db2.gz KEXHMBCQGOTPBK-HNNXBMFYSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(CCC#N)cc2)cccc1-c1nnn[n-]1 ZINC001591813075 1093868345 /nfs/dbraw/zinc/86/83/45/1093868345.db2.gz XBKMZMDCQMDKKO-UHFFFAOYSA-N -1 3 332.367 2.884 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(CCC#N)cc2)cccc1-c1nn[n-]n1 ZINC001591813075 1093868349 /nfs/dbraw/zinc/86/83/49/1093868349.db2.gz XBKMZMDCQMDKKO-UHFFFAOYSA-N -1 3 332.367 2.884 20 30 EFEDHM Cc1c(Cl)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001591819388 1093870780 /nfs/dbraw/zinc/87/07/80/1093870780.db2.gz MFTMSIYNYPQZCL-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(Cl)cccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001591819388 1093870786 /nfs/dbraw/zinc/87/07/86/1093870786.db2.gz MFTMSIYNYPQZCL-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c2c(nc(S[C@@H]3CC[C@H](C#N)C3)c1-c1nnn[n-]1)CCC2 ZINC001591830241 1093876311 /nfs/dbraw/zinc/87/63/11/1093876311.db2.gz KPYBMEZRXNUJMQ-WDEREUQCSA-N -1 3 326.429 2.843 20 30 EFEDHM Cc1c2c(nc(S[C@@H]3CC[C@H](C#N)C3)c1-c1nn[n-]n1)CCC2 ZINC001591830241 1093876320 /nfs/dbraw/zinc/87/63/20/1093876320.db2.gz KPYBMEZRXNUJMQ-WDEREUQCSA-N -1 3 326.429 2.843 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NNC1CCC(F)(F)CC1 ZINC001591838506 1093877534 /nfs/dbraw/zinc/87/75/34/1093877534.db2.gz BSTCUKCPKOHWMM-UHFFFAOYSA-N -1 3 334.374 2.985 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NNC1CCC(F)(F)CC1 ZINC001591838506 1093877537 /nfs/dbraw/zinc/87/75/37/1093877537.db2.gz BSTCUKCPKOHWMM-UHFFFAOYSA-N -1 3 334.374 2.985 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1ccc(C#N)cc1 ZINC001591845322 1093883972 /nfs/dbraw/zinc/88/39/72/1093883972.db2.gz ZLBJUOPAQGMONV-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1ccc(C#N)cc1 ZINC001591845322 1093883983 /nfs/dbraw/zinc/88/39/83/1093883983.db2.gz ZLBJUOPAQGMONV-UHFFFAOYSA-N -1 3 332.367 2.536 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1-c1nnc(-c2cccc(C#N)c2)o1 ZINC001591861084 1093897979 /nfs/dbraw/zinc/89/79/79/1093897979.db2.gz SFVDSSCYEULAFU-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1-c1nnc(-c2cccc(C#N)c2)o1 ZINC001591861084 1093897988 /nfs/dbraw/zinc/89/79/88/1093897988.db2.gz SFVDSSCYEULAFU-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591906717 1093912533 /nfs/dbraw/zinc/91/25/33/1093912533.db2.gz YGMIPBAKXRVRCN-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591906717 1093912537 /nfs/dbraw/zinc/91/25/37/1093912537.db2.gz YGMIPBAKXRVRCN-GFCCVEGCSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)c2ccc3c(c2)[nH]cc3-c2nnn[n-]2)c1 ZINC001591906631 1093913563 /nfs/dbraw/zinc/91/35/63/1093913563.db2.gz TWXLOUOTFAHJAO-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)c2ccc3c(c2)[nH]cc3-c2nn[n-]n2)c1 ZINC001591906631 1093913569 /nfs/dbraw/zinc/91/35/69/1093913569.db2.gz TWXLOUOTFAHJAO-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591906718 1093913990 /nfs/dbraw/zinc/91/39/90/1093913990.db2.gz YGMIPBAKXRVRCN-LBPRGKRZSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591906718 1093913995 /nfs/dbraw/zinc/91/39/95/1093913995.db2.gz YGMIPBAKXRVRCN-LBPRGKRZSA-N -1 3 347.382 2.930 20 30 EFEDHM Cc1cc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc(C)c1C#N ZINC001591908403 1093914164 /nfs/dbraw/zinc/91/41/64/1093914164.db2.gz ZLQVNGVADWZWGA-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc(C)c1C#N ZINC001591908403 1093914172 /nfs/dbraw/zinc/91/41/72/1093914172.db2.gz ZLQVNGVADWZWGA-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CCc3cc(C#N)ccc32)n1 ZINC001591942935 1093926196 /nfs/dbraw/zinc/92/61/96/1093926196.db2.gz ONDHYELRUCWUTM-HNNXBMFYSA-N -1 3 331.383 2.850 20 30 EFEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2CCc3cc(C#N)ccc32)n1 ZINC001591942935 1093926202 /nfs/dbraw/zinc/92/62/02/1093926202.db2.gz ONDHYELRUCWUTM-HNNXBMFYSA-N -1 3 331.383 2.850 20 30 EFEDHM Cc1cc(CN=Nc2ccc(C(C)(C)C)nn2)ccc1-c1nnn[n-]1 ZINC001591958732 1093932955 /nfs/dbraw/zinc/93/29/55/1093932955.db2.gz LXZFPGFHDBYVSH-UHFFFAOYSA-N -1 3 336.403 2.709 20 30 EFEDHM Cc1cc(CN=Nc2ccc(C(C)(C)C)nn2)ccc1-c1nn[n-]n1 ZINC001591958732 1093932959 /nfs/dbraw/zinc/93/29/59/1093932959.db2.gz LXZFPGFHDBYVSH-UHFFFAOYSA-N -1 3 336.403 2.709 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NCCCC1(C#N)CCOCC1 ZINC001591986049 1093947895 /nfs/dbraw/zinc/94/78/95/1093947895.db2.gz HTKXSYWWZCVWIQ-UHFFFAOYSA-N -1 3 344.394 2.827 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NCCCC1(C#N)CCOCC1 ZINC001591986049 1093947899 /nfs/dbraw/zinc/94/78/99/1093947899.db2.gz HTKXSYWWZCVWIQ-UHFFFAOYSA-N -1 3 344.394 2.827 20 30 EFEDHM Cc1cc(NCCCC2(C#N)CCOCC2)cc(-c2nnn[n-]2)c1 ZINC001592048299 1093967107 /nfs/dbraw/zinc/96/71/07/1093967107.db2.gz ZPYKQUGEHKICQU-UHFFFAOYSA-N -1 3 326.404 2.688 20 30 EFEDHM Cc1cc(NCCCC2(C#N)CCOCC2)cc(-c2nn[n-]n2)c1 ZINC001592048299 1093967110 /nfs/dbraw/zinc/96/71/10/1093967110.db2.gz ZPYKQUGEHKICQU-UHFFFAOYSA-N -1 3 326.404 2.688 20 30 EFEDHM Cc1cc(OC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1-c1nnn[n-]1 ZINC001592058399 1093970806 /nfs/dbraw/zinc/97/08/06/1093970806.db2.gz PFAKSLBQLNBKTJ-UHFFFAOYSA-N -1 3 345.362 2.950 20 30 EFEDHM Cc1cc(OC(=O)c2ccc(C3(C#N)CC3)cc2)ccc1-c1nn[n-]n1 ZINC001592058399 1093970810 /nfs/dbraw/zinc/97/08/10/1093970810.db2.gz PFAKSLBQLNBKTJ-UHFFFAOYSA-N -1 3 345.362 2.950 20 30 EFEDHM Cc1cc(OC(=O)c2sccc2C#N)c(C)c(C)c1-c1nn[n-]n1 ZINC001592058920 1093971431 /nfs/dbraw/zinc/97/14/31/1093971431.db2.gz CXGCBXRQAQJJMW-UHFFFAOYSA-N -1 3 339.380 2.944 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC001592098842 1093978748 /nfs/dbraw/zinc/97/87/48/1093978748.db2.gz DDDYCJORCOGFJW-HNNXBMFYSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC001592098842 1093978752 /nfs/dbraw/zinc/97/87/52/1093978752.db2.gz DDDYCJORCOGFJW-HNNXBMFYSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)OCc1cc(C#N)ccc1F ZINC001592099862 1093979448 /nfs/dbraw/zinc/97/94/48/1093979448.db2.gz PCDTYPHUPKIHQJ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)OCc1cc(C#N)ccc1F ZINC001592099862 1093979450 /nfs/dbraw/zinc/97/94/50/1093979450.db2.gz PCDTYPHUPKIHQJ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001592099253 1093979499 /nfs/dbraw/zinc/97/94/99/1093979499.db2.gz DAHPIKVPHHGFOA-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001592099253 1093979501 /nfs/dbraw/zinc/97/95/01/1093979501.db2.gz DAHPIKVPHHGFOA-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001592113070 1093984548 /nfs/dbraw/zinc/98/45/48/1093984548.db2.gz DLJLRXVFGNOAIR-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001592113070 1093984554 /nfs/dbraw/zinc/98/45/54/1093984554.db2.gz DLJLRXVFGNOAIR-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001592113461 1093985176 /nfs/dbraw/zinc/98/51/76/1093985176.db2.gz NKFQQFIBYFONHY-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001592113461 1093985179 /nfs/dbraw/zinc/98/51/79/1093985179.db2.gz NKFQQFIBYFONHY-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001592117283 1093985784 /nfs/dbraw/zinc/98/57/84/1093985784.db2.gz ANKBDQVUDYVLKL-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1ccc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001592117283 1093985789 /nfs/dbraw/zinc/98/57/89/1093985789.db2.gz ANKBDQVUDYVLKL-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c2c1CCC2 ZINC001592130090 1093990223 /nfs/dbraw/zinc/99/02/23/1093990223.db2.gz VLQNVGFIFNEXLQ-UHFFFAOYSA-N -1 3 344.378 2.788 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c2c1CCC2 ZINC001592130090 1093990225 /nfs/dbraw/zinc/99/02/25/1093990225.db2.gz VLQNVGFIFNEXLQ-UHFFFAOYSA-N -1 3 344.378 2.788 20 30 EFEDHM Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC001592132474 1093990828 /nfs/dbraw/zinc/99/08/28/1093990828.db2.gz JRLVWZBKICBQEE-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC001592132474 1093990835 /nfs/dbraw/zinc/99/08/35/1093990835.db2.gz JRLVWZBKICBQEE-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C(=O)OCc2ccc(F)c(C#N)c2)cc1-c1nnn[n-]1 ZINC001592133757 1093992127 /nfs/dbraw/zinc/99/21/27/1093992127.db2.gz WKRSIADVERNZDY-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(C(=O)OCc2ccc(F)c(C#N)c2)cc1-c1nn[n-]n1 ZINC001592133757 1093992130 /nfs/dbraw/zinc/99/21/30/1093992130.db2.gz WKRSIADVERNZDY-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC001592148204 1093998564 /nfs/dbraw/zinc/99/85/64/1093998564.db2.gz BYKKHXNEESMHEB-UHFFFAOYSA-N -1 3 338.396 2.680 20 30 EFEDHM Cc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC001592148204 1093998567 /nfs/dbraw/zinc/99/85/67/1093998567.db2.gz BYKKHXNEESMHEB-UHFFFAOYSA-N -1 3 338.396 2.680 20 30 EFEDHM Cc1ccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001592186322 1094024427 /nfs/dbraw/zinc/02/44/27/1094024427.db2.gz JIQPWDJZSIMWCP-INIZCTEOSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1ccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001592186322 1094024434 /nfs/dbraw/zinc/02/44/34/1094024434.db2.gz JIQPWDJZSIMWCP-INIZCTEOSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1ccc2c(ccc(C)c2Cn2cnc(C#N)c2-c2nnn[n-]2)c1 ZINC001592203745 1094028727 /nfs/dbraw/zinc/02/87/27/1094028727.db2.gz FKLZLKHEPWAFSC-UHFFFAOYSA-N -1 3 329.367 2.753 20 30 EFEDHM Cc1cccc(OCCCNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001592238038 1094044073 /nfs/dbraw/zinc/04/40/73/1094044073.db2.gz HSDCYNDWNAYNJA-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM Cc1cccc(OCCCNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001592238038 1094044078 /nfs/dbraw/zinc/04/40/78/1094044078.db2.gz HSDCYNDWNAYNJA-UHFFFAOYSA-N -1 3 334.383 2.928 20 30 EFEDHM Cc1cncc([C@H]2CCCN2c2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001592299358 1094070887 /nfs/dbraw/zinc/07/08/87/1094070887.db2.gz YKYHCJGFECSRFU-MRXNPFEDSA-N -1 3 331.383 2.783 20 30 EFEDHM Cc1cncc([C@H]2CCCN2c2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001592299358 1094070892 /nfs/dbraw/zinc/07/08/92/1094070892.db2.gz YKYHCJGFECSRFU-MRXNPFEDSA-N -1 3 331.383 2.783 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCc1c(Cl)cccc1Cl ZINC001592340484 1094081420 /nfs/dbraw/zinc/08/14/20/1094081420.db2.gz GFFNIKCBGUSTOP-UHFFFAOYSA-N -1 3 348.197 2.793 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCc1c(Cl)cccc1Cl ZINC001592340484 1094081426 /nfs/dbraw/zinc/08/14/26/1094081426.db2.gz GFFNIKCBGUSTOP-UHFFFAOYSA-N -1 3 348.197 2.793 20 30 EFEDHM Cc1nc(N(C)Cc2ccc(C#N)cc2)c(Cl)cc1-c1nnn[n-]1 ZINC001592368269 1094090550 /nfs/dbraw/zinc/09/05/50/1094090550.db2.gz SGNVCNSUZHWCFH-UHFFFAOYSA-N -1 3 339.790 2.732 20 30 EFEDHM Cc1nc(N(C)Cc2ccc(C#N)cc2)c(Cl)cc1-c1nn[n-]n1 ZINC001592368269 1094090558 /nfs/dbraw/zinc/09/05/58/1094090558.db2.gz SGNVCNSUZHWCFH-UHFFFAOYSA-N -1 3 339.790 2.732 20 30 EFEDHM Cc1sc(NC(=O)c2cccc(C#N)c2C)c(-c2nnn[n-]2)c1C ZINC001592520762 1094118814 /nfs/dbraw/zinc/11/88/14/1094118814.db2.gz LMZIXGXUAFAWTC-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1sc(NC(=O)c2cccc(C#N)c2C)c(-c2nn[n-]n2)c1C ZINC001592520762 1094118816 /nfs/dbraw/zinc/11/88/16/1094118816.db2.gz LMZIXGXUAFAWTC-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1sc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(C#N)c1C ZINC001592521581 1094119235 /nfs/dbraw/zinc/11/92/35/1094119235.db2.gz XRGOJXKVHZBKGM-UHFFFAOYSA-N -1 3 342.359 2.808 20 30 EFEDHM Cc1sc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(C#N)c1C ZINC001592521581 1094119238 /nfs/dbraw/zinc/11/92/38/1094119238.db2.gz XRGOJXKVHZBKGM-UHFFFAOYSA-N -1 3 342.359 2.808 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCC2Cc3ccccc3C2)n1 ZINC001592524139 1094120425 /nfs/dbraw/zinc/12/04/25/1094120425.db2.gz DGQRILIWWSKRQN-UHFFFAOYSA-N -1 3 339.790 2.728 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCC2Cc3ccccc3C2)n1 ZINC001592524139 1094120428 /nfs/dbraw/zinc/12/04/28/1094120428.db2.gz DGQRILIWWSKRQN-UHFFFAOYSA-N -1 3 339.790 2.728 20 30 EFEDHM Clc1cc(NN=C2COCc3ccccc32)ccc1-c1nnn[n-]1 ZINC001592526921 1094123315 /nfs/dbraw/zinc/12/33/15/1094123315.db2.gz RJBOXIARRZSGNB-UHFFFAOYSA-N -1 3 340.774 2.867 20 30 EFEDHM Clc1cc(NN=C2COCc3ccccc32)ccc1-c1nn[n-]n1 ZINC001592526921 1094123316 /nfs/dbraw/zinc/12/33/16/1094123316.db2.gz RJBOXIARRZSGNB-UHFFFAOYSA-N -1 3 340.774 2.867 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001592600176 1094137471 /nfs/dbraw/zinc/13/74/71/1094137471.db2.gz ARILYKWUZQFJEG-KTKRTIGZSA-N -1 3 334.383 2.764 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001592600176 1094137475 /nfs/dbraw/zinc/13/74/75/1094137475.db2.gz ARILYKWUZQFJEG-KTKRTIGZSA-N -1 3 334.383 2.764 20 30 EFEDHM FC(F)(F)c1cccnc1N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC001592621512 1094143237 /nfs/dbraw/zinc/14/32/37/1094143237.db2.gz OMVZOOYUVVRWHT-UHFFFAOYSA-N -1 3 333.277 2.727 20 30 EFEDHM FC(F)(F)c1cccnc1N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC001592621512 1094143240 /nfs/dbraw/zinc/14/32/40/1094143240.db2.gz OMVZOOYUVVRWHT-UHFFFAOYSA-N -1 3 333.277 2.727 20 30 EFEDHM Fc1cccc(F)c1NN=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001592634923 1094152510 /nfs/dbraw/zinc/15/25/10/1094152510.db2.gz LMWABSJPQJHXFC-UHFFFAOYSA-N -1 3 336.252 2.869 20 30 EFEDHM Fc1cccc(F)c1NN=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001592634923 1094152512 /nfs/dbraw/zinc/15/25/12/1094152512.db2.gz LMWABSJPQJHXFC-UHFFFAOYSA-N -1 3 336.252 2.869 20 30 EFEDHM N#CC1(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CCCCC1 ZINC001592667163 1094173715 /nfs/dbraw/zinc/17/37/15/1094173715.db2.gz QKBHMKHXCQRLQT-UHFFFAOYSA-N -1 3 343.362 2.913 20 30 EFEDHM N#CC1(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CCCCC1 ZINC001592667163 1094173717 /nfs/dbraw/zinc/17/37/17/1094173717.db2.gz QKBHMKHXCQRLQT-UHFFFAOYSA-N -1 3 343.362 2.913 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-c2nnn[n-]2)ccn1 ZINC001592669242 1094173767 /nfs/dbraw/zinc/17/37/67/1094173767.db2.gz MSKIOYFADMGUQG-QZTJIDSGSA-N -1 3 345.410 2.533 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-c2nn[n-]n2)ccn1 ZINC001592669242 1094173768 /nfs/dbraw/zinc/17/37/68/1094173768.db2.gz MSKIOYFADMGUQG-QZTJIDSGSA-N -1 3 345.410 2.533 20 30 EFEDHM N#CC1(c2ccc(-c3ccc(O)c(-c4nnn[n-]4)c3)cc2)CCOCC1 ZINC001592671648 1094174611 /nfs/dbraw/zinc/17/46/11/1094174611.db2.gz TWXNITKWKVWAAH-UHFFFAOYSA-N -1 3 347.378 2.811 20 30 EFEDHM N#CC[C@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001592675529 1094174754 /nfs/dbraw/zinc/17/47/54/1094174754.db2.gz QCPGPKDCMPGXBC-MRXNPFEDSA-N -1 3 347.378 2.997 20 30 EFEDHM N#CC[C@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001592675529 1094174756 /nfs/dbraw/zinc/17/47/56/1094174756.db2.gz QCPGPKDCMPGXBC-MRXNPFEDSA-N -1 3 347.378 2.997 20 30 EFEDHM N#CCCCCCC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592674931 1094174942 /nfs/dbraw/zinc/17/49/42/1094174942.db2.gz MYJTYTYDLAKMSW-MRXNPFEDSA-N -1 3 338.415 2.834 20 30 EFEDHM N#CCCCCCC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592674931 1094174948 /nfs/dbraw/zinc/17/49/48/1094174948.db2.gz MYJTYTYDLAKMSW-MRXNPFEDSA-N -1 3 338.415 2.834 20 30 EFEDHM N#CCCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592676519 1094174989 /nfs/dbraw/zinc/17/49/89/1094174989.db2.gz VBUVKSYQQGLLQE-UHFFFAOYSA-N -1 3 347.382 2.644 20 30 EFEDHM N#CC1CCC(CNC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC001592671769 1094175236 /nfs/dbraw/zinc/17/52/36/1094175236.db2.gz WLSCDWRKZYQNIV-UHFFFAOYSA-N -1 3 344.806 2.580 20 30 EFEDHM N#CC1CCC(CNC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC001592671769 1094175241 /nfs/dbraw/zinc/17/52/41/1094175241.db2.gz WLSCDWRKZYQNIV-UHFFFAOYSA-N -1 3 344.806 2.580 20 30 EFEDHM N#C[C@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672681 1094175396 /nfs/dbraw/zinc/17/53/96/1094175396.db2.gz MIZFRZDTSWSZOA-BJKJVOPESA-N -1 3 337.383 2.596 20 30 EFEDHM N#C[C@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592672681 1094175402 /nfs/dbraw/zinc/17/54/02/1094175402.db2.gz MIZFRZDTSWSZOA-BJKJVOPESA-N -1 3 337.383 2.596 20 30 EFEDHM N#C[C@H]1C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC001592680989 1094176017 /nfs/dbraw/zinc/17/60/17/1094176017.db2.gz COAUSMOGOGDXEP-GDBMZVCRSA-N -1 3 344.378 2.560 20 30 EFEDHM N#C[C@H]1C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC001592680989 1094176021 /nfs/dbraw/zinc/17/60/21/1094176021.db2.gz COAUSMOGOGDXEP-GDBMZVCRSA-N -1 3 344.378 2.560 20 30 EFEDHM N#Cc1c2c(nc(N3C4CCC3CC4)c1-c1nnn[n-]1)CCCCCC2 ZINC001592685462 1094176052 /nfs/dbraw/zinc/17/60/52/1094176052.db2.gz TXXBWCCEIBMCHS-UHFFFAOYSA-N -1 3 349.442 2.924 20 30 EFEDHM N#Cc1c2c(nc(N3C4CCC3CC4)c1-c1nn[n-]n1)CCCCCC2 ZINC001592685462 1094176057 /nfs/dbraw/zinc/17/60/57/1094176057.db2.gz TXXBWCCEIBMCHS-UHFFFAOYSA-N -1 3 349.442 2.924 20 30 EFEDHM N#CCSc1cccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592681435 1094176598 /nfs/dbraw/zinc/17/65/98/1094176598.db2.gz BIDIUGQDKZDWBZ-UHFFFAOYSA-N -1 3 337.364 2.702 20 30 EFEDHM N#CCSc1cccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592681435 1094176603 /nfs/dbraw/zinc/17/66/03/1094176603.db2.gz BIDIUGQDKZDWBZ-UHFFFAOYSA-N -1 3 337.364 2.702 20 30 EFEDHM N#Cc1c[nH]c2cc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)ccc12 ZINC001592686845 1094177288 /nfs/dbraw/zinc/17/72/88/1094177288.db2.gz VSXQKELYFRTBCB-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#Cc1c[nH]c2cc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)ccc12 ZINC001592686845 1094177289 /nfs/dbraw/zinc/17/72/89/1094177289.db2.gz VSXQKELYFRTBCB-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@H]2C=CCCCCC2)nc1N ZINC001592687134 1094177841 /nfs/dbraw/zinc/17/78/41/1094177841.db2.gz MIRUKHQBRPPCKU-NSHDSACASA-N -1 3 327.417 2.697 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@H]2C=CCCCCC2)nc1N ZINC001592687134 1094177845 /nfs/dbraw/zinc/17/78/45/1094177845.db2.gz MIRUKHQBRPPCKU-NSHDSACASA-N -1 3 327.417 2.697 20 30 EFEDHM N#Cc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1F ZINC001592694479 1094178558 /nfs/dbraw/zinc/17/85/58/1094178558.db2.gz VUUWAZRQDAKWHR-UHFFFAOYSA-N -1 3 349.373 2.763 20 30 EFEDHM N#Cc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1F ZINC001592694479 1094178561 /nfs/dbraw/zinc/17/85/61/1094178561.db2.gz VUUWAZRQDAKWHR-UHFFFAOYSA-N -1 3 349.373 2.763 20 30 EFEDHM N#Cc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1Cl ZINC001592691055 1094178589 /nfs/dbraw/zinc/17/85/89/1094178589.db2.gz CSCUZWQPJZFRKU-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc1Cl ZINC001592691055 1094178596 /nfs/dbraw/zinc/17/85/96/1094178596.db2.gz CSCUZWQPJZFRKU-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(CN(Cc2csc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC001592692854 1094178776 /nfs/dbraw/zinc/17/87/76/1094178776.db2.gz KFHBPBVEPGDJRW-UHFFFAOYSA-N -1 3 336.424 2.964 20 30 EFEDHM N#Cc1ccc(CCN2CCCc3c(-c4nnn[n-]4)cccc32)cc1 ZINC001592692822 1094178988 /nfs/dbraw/zinc/17/89/88/1094178988.db2.gz IDEUVHWLGOKUAP-UHFFFAOYSA-N -1 3 330.395 2.734 20 30 EFEDHM N#Cc1ccc(CCN2CCCc3c(-c4nn[n-]n4)cccc32)cc1 ZINC001592692822 1094178992 /nfs/dbraw/zinc/17/89/92/1094178992.db2.gz IDEUVHWLGOKUAP-UHFFFAOYSA-N -1 3 330.395 2.734 20 30 EFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC001592691464 1094179068 /nfs/dbraw/zinc/17/90/68/1094179068.db2.gz XETBWYSUHXFZKA-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001592691464 1094179071 /nfs/dbraw/zinc/17/90/71/1094179071.db2.gz XETBWYSUHXFZKA-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001592694247 1094179158 /nfs/dbraw/zinc/17/91/58/1094179158.db2.gz PPZRKNLBGLLJBI-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001592694247 1094179163 /nfs/dbraw/zinc/17/91/63/1094179163.db2.gz PPZRKNLBGLLJBI-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(NC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1F ZINC001592695607 1094179910 /nfs/dbraw/zinc/17/99/10/1094179910.db2.gz ZLMJCJGVNOBHGU-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(NC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1F ZINC001592695607 1094179914 /nfs/dbraw/zinc/17/99/14/1094179914.db2.gz ZLMJCJGVNOBHGU-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(OC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001592697085 1094180008 /nfs/dbraw/zinc/18/00/08/1094180008.db2.gz LNWRPHISQPDTKZ-UHFFFAOYSA-N -1 3 349.325 2.515 20 30 EFEDHM N#Cc1ccc(OC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001592697085 1094180013 /nfs/dbraw/zinc/18/00/13/1094180013.db2.gz LNWRPHISQPDTKZ-UHFFFAOYSA-N -1 3 349.325 2.515 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccsc2C(F)F)cc1-c1nnn[n-]1 ZINC001592696251 1094180205 /nfs/dbraw/zinc/18/02/05/1094180205.db2.gz SNPYANKGLBJLRA-UHFFFAOYSA-N -1 3 346.322 2.990 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccsc2C(F)F)cc1-c1nn[n-]n1 ZINC001592696251 1094180207 /nfs/dbraw/zinc/18/02/07/1094180207.db2.gz SNPYANKGLBJLRA-UHFFFAOYSA-N -1 3 346.322 2.990 20 30 EFEDHM N#Cc1ccc(OC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)cc1 ZINC001592697414 1094180703 /nfs/dbraw/zinc/18/07/03/1094180703.db2.gz WGRLGTJTSUFFFX-UHFFFAOYSA-N -1 3 325.715 2.611 20 30 EFEDHM N#Cc1ccc(OC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)cc1 ZINC001592697414 1094180704 /nfs/dbraw/zinc/18/07/04/1094180704.db2.gz WGRLGTJTSUFFFX-UHFFFAOYSA-N -1 3 325.715 2.611 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(c2ccncc2)CC1 ZINC001592698599 1094180727 /nfs/dbraw/zinc/18/07/27/1094180727.db2.gz DYTSFHSETQTQFP-UHFFFAOYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(c2ccncc2)CC1 ZINC001592698599 1094180728 /nfs/dbraw/zinc/18/07/28/1094180728.db2.gz DYTSFHSETQTQFP-UHFFFAOYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c([N+](=O)[O-])c1 ZINC001592696260 1094180731 /nfs/dbraw/zinc/18/07/31/1094180731.db2.gz UJEIEFWCJQJXLP-AWEZNQCLSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c([N+](=O)[O-])c1 ZINC001592696260 1094180733 /nfs/dbraw/zinc/18/07/33/1094180733.db2.gz UJEIEFWCJQJXLP-AWEZNQCLSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccn(-c2ccccc2)n1 ZINC001592699873 1094181666 /nfs/dbraw/zinc/18/16/66/1094181666.db2.gz QHFFMSIKPSYYGS-UHFFFAOYSA-N -1 3 342.366 2.536 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccn(-c2ccccc2)n1 ZINC001592699873 1094181667 /nfs/dbraw/zinc/18/16/67/1094181667.db2.gz QHFFMSIKPSYYGS-UHFFFAOYSA-N -1 3 342.366 2.536 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCc2ccccc2C1 ZINC001592699922 1094181959 /nfs/dbraw/zinc/18/19/59/1094181959.db2.gz SEXQEOWNMPKBKU-CYBMUJFWSA-N -1 3 330.395 2.955 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCc2ccccc2C1 ZINC001592699922 1094181962 /nfs/dbraw/zinc/18/19/62/1094181962.db2.gz SEXQEOWNMPKBKU-CYBMUJFWSA-N -1 3 330.395 2.955 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCOC1CCCCCC1 ZINC001592699825 1094182284 /nfs/dbraw/zinc/18/22/84/1094182284.db2.gz OFDGHZSPGBYVEF-UHFFFAOYSA-N -1 3 326.404 2.890 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCOC1CCCCCC1 ZINC001592699825 1094182286 /nfs/dbraw/zinc/18/22/86/1094182286.db2.gz OFDGHZSPGBYVEF-UHFFFAOYSA-N -1 3 326.404 2.890 20 30 EFEDHM N#Cc1nc(NCc2ccc(-c3nnn[n-]3)cc2)ccc1C(F)(F)F ZINC001592707390 1094183047 /nfs/dbraw/zinc/18/30/47/1094183047.db2.gz ARVYCLMDHIKDLZ-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1nc(NCc2ccc(-c3nn[n-]n3)cc2)ccc1C(F)(F)F ZINC001592707390 1094183052 /nfs/dbraw/zinc/18/30/52/1094183052.db2.gz ARVYCLMDHIKDLZ-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1cnccc1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001592704028 1094183153 /nfs/dbraw/zinc/18/31/53/1094183153.db2.gz OTDZLYZTFJCOTL-UHFFFAOYSA-N -1 3 349.423 2.699 20 30 EFEDHM N#Cc1cnccc1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001592704028 1094183157 /nfs/dbraw/zinc/18/31/57/1094183157.db2.gz OTDZLYZTFJCOTL-UHFFFAOYSA-N -1 3 349.423 2.699 20 30 EFEDHM N#Cc1ncccc1SCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001592709750 1094183235 /nfs/dbraw/zinc/18/32/35/1094183235.db2.gz OAKPWQCRXZMPFZ-UHFFFAOYSA-N -1 3 338.396 2.695 20 30 EFEDHM N#Cc1cnc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c(Cl)c1 ZINC001592704223 1094183275 /nfs/dbraw/zinc/18/32/75/1094183275.db2.gz CNFMIMBCBLXXIT-AWEZNQCLSA-N -1 3 337.774 2.886 20 30 EFEDHM N#Cc1cnc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c(Cl)c1 ZINC001592704223 1094183276 /nfs/dbraw/zinc/18/32/76/1094183276.db2.gz CNFMIMBCBLXXIT-AWEZNQCLSA-N -1 3 337.774 2.886 20 30 EFEDHM N#Cc1ccccc1COC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001592702030 1094183328 /nfs/dbraw/zinc/18/33/28/1094183328.db2.gz SUSJETTTWQKTFR-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccccc1COC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001592702030 1094183331 /nfs/dbraw/zinc/18/33/31/1094183331.db2.gz SUSJETTTWQKTFR-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1cccc2c1CCCN2CCOc1cccc(-c2nnn[n-]2)c1 ZINC001592703406 1094183459 /nfs/dbraw/zinc/18/34/59/1094183459.db2.gz SZSOUUODMUPLMP-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc2c1CCCN2CCOc1cccc(-c2nn[n-]n2)c1 ZINC001592703406 1094183463 /nfs/dbraw/zinc/18/34/63/1094183463.db2.gz SZSOUUODMUPLMP-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccnn1CC1CCC1 ZINC001592791505 1094188505 /nfs/dbraw/zinc/18/85/05/1094188505.db2.gz LIRTXSSHBDHLCK-SNAWJCMRSA-N -1 3 340.412 2.821 20 30 EFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccnn1CC1CCC1 ZINC001592791505 1094188510 /nfs/dbraw/zinc/18/85/10/1094188510.db2.gz LIRTXSSHBDHLCK-SNAWJCMRSA-N -1 3 340.412 2.821 20 30 EFEDHM O=C(C=Cc1csc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001592802379 1094192222 /nfs/dbraw/zinc/19/22/22/1094192222.db2.gz CZBMDIRUSRQZTE-PLNGDYQASA-N -1 3 327.325 2.733 20 30 EFEDHM O=C(C=Cc1csc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001592802379 1094192225 /nfs/dbraw/zinc/19/22/25/1094192225.db2.gz CZBMDIRUSRQZTE-PLNGDYQASA-N -1 3 327.325 2.733 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1ccccc1[N+](=O)[O-] ZINC001593380448 1094302592 /nfs/dbraw/zinc/30/25/92/1094302592.db2.gz QBASDEWPLHVNQM-JYRVWZFOSA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1ccccc1[N+](=O)[O-] ZINC001593380448 1094302596 /nfs/dbraw/zinc/30/25/96/1094302596.db2.gz QBASDEWPLHVNQM-JYRVWZFOSA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1C(=Cc2cccc(F)c2-c2nnn[n-]2)Oc2cc(F)cc(F)c21 ZINC001593379812 1094304398 /nfs/dbraw/zinc/30/43/98/1094304398.db2.gz KDDGRFOSDCAOGX-QCDXTXTGSA-N -1 3 344.252 2.900 20 30 EFEDHM O=[N+]([O-])c1cc(Cl)ccc1N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC001593473096 1094315119 /nfs/dbraw/zinc/31/51/19/1094315119.db2.gz KDXMPSMEFYZXIZ-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM c1ccc(C[C@@H]2CCCC2=NNCc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001593571855 1094383625 /nfs/dbraw/zinc/38/36/25/1094383625.db2.gz IIFWOSNGGZVKTA-INIZCTEOSA-N -1 3 347.426 2.750 20 30 EFEDHM c1ccc(C[C@@H]2CCCC2=NNCc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001593571855 1094383635 /nfs/dbraw/zinc/38/36/35/1094383635.db2.gz IIFWOSNGGZVKTA-INIZCTEOSA-N -1 3 347.426 2.750 20 30 EFEDHM Cc1ccc(CN2CC[C@@H](Nc3ccc(C(=O)[O-])nc3C#N)C2)cc1 ZINC001600413463 1095045871 /nfs/dbraw/zinc/04/58/71/1095045871.db2.gz XRRMWSHWCYPJEV-OAHLLOKOSA-N -1 3 336.395 2.646 20 30 EFEDHM CC(C)(C)[C@@H](CNc1ncccc1C#N)NC(=O)c1ccccc1[O-] ZINC001125804195 1095383476 /nfs/dbraw/zinc/38/34/76/1095383476.db2.gz IUTGUWFWJNGPNP-MRXNPFEDSA-N -1 3 338.411 2.915 20 30 EFEDHM CC(C)(C)[C@H](CNc1ncccc1C#N)NC(=O)c1ccccc1[O-] ZINC001125804194 1095385293 /nfs/dbraw/zinc/38/52/93/1095385293.db2.gz IUTGUWFWJNGPNP-INIZCTEOSA-N -1 3 338.411 2.915 20 30 EFEDHM N#CCc1ccc(CN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1 ZINC001601076711 1095493032 /nfs/dbraw/zinc/49/30/32/1095493032.db2.gz PPKKGSBEASHOIF-UONOGXRCSA-N -1 3 326.318 2.838 20 30 EFEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2Cc3cccnc3N3CCC[C@H]3C2)cc1 ZINC001601095111 1095505850 /nfs/dbraw/zinc/50/58/50/1095505850.db2.gz HQWUGVRCXHMXRD-ROUUACIJSA-N -1 3 348.406 2.564 20 30 EFEDHM N#Cc1cccc(OCCN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001601123744 1095526958 /nfs/dbraw/zinc/52/69/58/1095526958.db2.gz RBJNNPKCZXWBJC-CYBMUJFWSA-N -1 3 343.408 2.581 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC001602687896 1096349972 /nfs/dbraw/zinc/34/99/72/1096349972.db2.gz FPPISDZLFBLLHM-OAHLLOKOSA-N -1 3 332.367 2.671 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC001602687896 1096349982 /nfs/dbraw/zinc/34/99/82/1096349982.db2.gz FPPISDZLFBLLHM-OAHLLOKOSA-N -1 3 332.367 2.671 20 30 EFEDHM C#CC[C@@H](CCOC)NCc1ccc(C(=O)[O-])cc1Br ZINC001602683464 1096350365 /nfs/dbraw/zinc/35/03/65/1096350365.db2.gz PQJWDDAEVNSUEN-ZDUSSCGKSA-N -1 3 340.217 2.665 20 30 EFEDHM C#C[C@@H](C)N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001602690732 1096350812 /nfs/dbraw/zinc/35/08/12/1096350812.db2.gz ZASNIEFKNSBFKT-CYBMUJFWSA-N -1 3 347.378 2.753 20 30 EFEDHM C#C[C@@H](C)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602690732 1096350815 /nfs/dbraw/zinc/35/08/15/1096350815.db2.gz ZASNIEFKNSBFKT-CYBMUJFWSA-N -1 3 347.378 2.753 20 30 EFEDHM C#C[C@@H](NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001602689774 1096351175 /nfs/dbraw/zinc/35/11/75/1096351175.db2.gz VNCIYDSONPMGCQ-GOSISDBHSA-N -1 3 345.406 2.517 20 30 EFEDHM C#C[C@@H](NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001602689774 1096351184 /nfs/dbraw/zinc/35/11/84/1096351184.db2.gz VNCIYDSONPMGCQ-GOSISDBHSA-N -1 3 345.406 2.517 20 30 EFEDHM C#C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C(C)C ZINC001602689432 1096351425 /nfs/dbraw/zinc/35/14/25/1096351425.db2.gz RDXVGUOFFFMDEK-SFHVURJKSA-N -1 3 345.406 2.921 20 30 EFEDHM C#C[C@H](NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)C(C)C ZINC001602689432 1096351435 /nfs/dbraw/zinc/35/14/35/1096351435.db2.gz RDXVGUOFFFMDEK-SFHVURJKSA-N -1 3 345.406 2.921 20 30 EFEDHM C#C[C@@](C)(CC)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001602688981 1096351677 /nfs/dbraw/zinc/35/16/77/1096351677.db2.gz AHOAHOITYPRUNO-KRWDZBQOSA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@@](C)(CC)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001602688981 1096351686 /nfs/dbraw/zinc/35/16/86/1096351686.db2.gz AHOAHOITYPRUNO-KRWDZBQOSA-N -1 3 342.403 2.577 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001602696915 1096352835 /nfs/dbraw/zinc/35/28/35/1096352835.db2.gz HJSNWUHYCMJEDD-AWEZNQCLSA-N -1 3 338.392 2.720 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001602696915 1096352844 /nfs/dbraw/zinc/35/28/44/1096352844.db2.gz HJSNWUHYCMJEDD-AWEZNQCLSA-N -1 3 338.392 2.720 20 30 EFEDHM C#CC[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001602697705 1096352984 /nfs/dbraw/zinc/35/29/84/1096352984.db2.gz ZPBFLPKFCJXEGL-GFCCVEGCSA-N -1 3 349.350 2.623 20 30 EFEDHM C#CC[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001602697705 1096352991 /nfs/dbraw/zinc/35/29/91/1096352991.db2.gz ZPBFLPKFCJXEGL-GFCCVEGCSA-N -1 3 349.350 2.623 20 30 EFEDHM C#CCC1(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001602699175 1096353696 /nfs/dbraw/zinc/35/36/96/1096353696.db2.gz DYIBKSNRYLKOIC-ZHACJKMWSA-N -1 3 335.411 2.722 20 30 EFEDHM C#CCC1(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001602699175 1096353701 /nfs/dbraw/zinc/35/37/01/1096353701.db2.gz DYIBKSNRYLKOIC-ZHACJKMWSA-N -1 3 335.411 2.722 20 30 EFEDHM C#CC[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)C1 ZINC001602702422 1096353755 /nfs/dbraw/zinc/35/37/55/1096353755.db2.gz GTZXDDARDXUXQV-LLVKDONJSA-N -1 3 338.802 2.918 20 30 EFEDHM C#CC[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)C1 ZINC001602702422 1096353761 /nfs/dbraw/zinc/35/37/61/1096353761.db2.gz GTZXDDARDXUXQV-LLVKDONJSA-N -1 3 338.802 2.918 20 30 EFEDHM C#CCCC[C@@H](C)OC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602705907 1096354684 /nfs/dbraw/zinc/35/46/84/1096354684.db2.gz HHTXVHUCHLXKSE-UONOGXRCSA-N -1 3 326.400 2.781 20 30 EFEDHM C#CCCC[C@@H](C)OC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602705907 1096354691 /nfs/dbraw/zinc/35/46/91/1096354691.db2.gz HHTXVHUCHLXKSE-UONOGXRCSA-N -1 3 326.400 2.781 20 30 EFEDHM C#CCCCCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001602711554 1096355056 /nfs/dbraw/zinc/35/50/56/1096355056.db2.gz XKCYNBAXCGPXCG-UHFFFAOYSA-N -1 3 338.184 2.984 20 30 EFEDHM C#CCCCCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001602711554 1096355061 /nfs/dbraw/zinc/35/50/61/1096355061.db2.gz XKCYNBAXCGPXCG-UHFFFAOYSA-N -1 3 338.184 2.984 20 30 EFEDHM C#CCN(C)CCCNC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001602713712 1096355780 /nfs/dbraw/zinc/35/57/80/1096355780.db2.gz PRTLZZXVNUVZPY-UHFFFAOYSA-N -1 3 339.395 2.615 20 30 EFEDHM C#CCCOc1ccc(C(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC001602714061 1096357306 /nfs/dbraw/zinc/35/73/06/1096357306.db2.gz HZLRXKLZHCCULL-UHFFFAOYSA-N -1 3 339.380 2.583 20 30 EFEDHM C#CCCOc1ccc(C(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC001602714061 1096357312 /nfs/dbraw/zinc/35/73/12/1096357312.db2.gz HZLRXKLZHCCULL-UHFFFAOYSA-N -1 3 339.380 2.583 20 30 EFEDHM C#CCOc1ccc(COC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001602732327 1096357730 /nfs/dbraw/zinc/35/77/30/1096357730.db2.gz XAZCQMRZQOBVPV-UHFFFAOYSA-N -1 3 348.362 2.544 20 30 EFEDHM C#CCOc1ccc(COC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001602732327 1096357739 /nfs/dbraw/zinc/35/77/39/1096357739.db2.gz XAZCQMRZQOBVPV-UHFFFAOYSA-N -1 3 348.362 2.544 20 30 EFEDHM C#CCOc1ccccc1NCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001602733316 1096358584 /nfs/dbraw/zinc/35/85/84/1096358584.db2.gz XQIHPHHBATYTPH-UHFFFAOYSA-N -1 3 344.378 2.744 20 30 EFEDHM C#CCOc1ccccc1NCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001602733316 1096358590 /nfs/dbraw/zinc/35/85/90/1096358590.db2.gz XQIHPHHBATYTPH-UHFFFAOYSA-N -1 3 344.378 2.744 20 30 EFEDHM C#Cc1ccc(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001602737695 1096358637 /nfs/dbraw/zinc/35/86/37/1096358637.db2.gz VYMGPYJOMVABOZ-SFHVURJKSA-N -1 3 343.390 2.655 20 30 EFEDHM C#Cc1ccc(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001602737695 1096358642 /nfs/dbraw/zinc/35/86/42/1096358642.db2.gz VYMGPYJOMVABOZ-SFHVURJKSA-N -1 3 343.390 2.655 20 30 EFEDHM C#CCOc1cc(F)ccc1NCc1cccc(F)c1-c1nnn[n-]1 ZINC001602732307 1096358751 /nfs/dbraw/zinc/35/87/51/1096358751.db2.gz WJDWHSZGTRASMC-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM C#CCOc1cc(F)ccc1NCc1cccc(F)c1-c1nn[n-]n1 ZINC001602732307 1096358756 /nfs/dbraw/zinc/35/87/56/1096358756.db2.gz WJDWHSZGTRASMC-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM C#C[C@H]1CC[C@H]([NH2+][C@H](CC)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001602735511 1096358877 /nfs/dbraw/zinc/35/88/77/1096358877.db2.gz HYFUAMXPZPEWHQ-XJKCOSOUSA-N -1 3 325.416 2.805 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001602741740 1096359243 /nfs/dbraw/zinc/35/92/43/1096359243.db2.gz XVWBDDSHFQSEMN-UHFFFAOYSA-N -1 3 335.342 2.654 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001602741740 1096359251 /nfs/dbraw/zinc/35/92/51/1096359251.db2.gz XVWBDDSHFQSEMN-UHFFFAOYSA-N -1 3 335.342 2.654 20 30 EFEDHM C#Cc1ccc(NC(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)cc1 ZINC001602741275 1096359316 /nfs/dbraw/zinc/35/93/16/1096359316.db2.gz CRODCORRYBBWPC-UHFFFAOYSA-N -1 3 339.305 2.579 20 30 EFEDHM C#Cc1ccc(NC(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)cc1 ZINC001602741275 1096359320 /nfs/dbraw/zinc/35/93/20/1096359320.db2.gz CRODCORRYBBWPC-UHFFFAOYSA-N -1 3 339.305 2.579 20 30 EFEDHM c1cc(CN=Nc2ccccn2)n(Cc2ccccc2-c2nn[n-]n2)c1 ZINC001602746573 1096362187 /nfs/dbraw/zinc/36/21/87/1096362187.db2.gz PATYGIRZRXRTKB-UHFFFAOYSA-N -1 3 344.382 2.558 20 30 EFEDHM C(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCCC2)cc1 ZINC001602746234 1096362251 /nfs/dbraw/zinc/36/22/51/1096362251.db2.gz KFJZKWFEZGRBKL-UHFFFAOYSA-N -1 3 333.399 2.913 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001602752320 1096362697 /nfs/dbraw/zinc/36/26/97/1096362697.db2.gz AXHHIOAAQNPXDX-NSHDSACASA-N -1 3 326.404 2.681 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001602752320 1096362709 /nfs/dbraw/zinc/36/27/09/1096362709.db2.gz AXHHIOAAQNPXDX-NSHDSACASA-N -1 3 326.404 2.681 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001602751114 1096363771 /nfs/dbraw/zinc/36/37/71/1096363771.db2.gz ANBGIYVIBUCDTM-OAHLLOKOSA-N -1 3 325.416 2.963 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001602751114 1096363778 /nfs/dbraw/zinc/36/37/78/1096363778.db2.gz ANBGIYVIBUCDTM-OAHLLOKOSA-N -1 3 325.416 2.963 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001602753297 1096363797 /nfs/dbraw/zinc/36/37/97/1096363797.db2.gz NNRHAXUIYOJYEX-SWLSCSKDSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001602753297 1096363805 /nfs/dbraw/zinc/36/38/05/1096363805.db2.gz NNRHAXUIYOJYEX-SWLSCSKDSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001602753295 1096364090 /nfs/dbraw/zinc/36/40/90/1096364090.db2.gz NNRHAXUIYOJYEX-DOMZBBRYSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001602753295 1096364096 /nfs/dbraw/zinc/36/40/96/1096364096.db2.gz NNRHAXUIYOJYEX-DOMZBBRYSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(CC)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001602768394 1096367417 /nfs/dbraw/zinc/36/74/17/1096367417.db2.gz WVTYAGIFEMPPTR-UHFFFAOYSA-N -1 3 338.318 2.556 20 30 EFEDHM C=C(CC)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001602768394 1096367421 /nfs/dbraw/zinc/36/74/21/1096367421.db2.gz WVTYAGIFEMPPTR-UHFFFAOYSA-N -1 3 338.318 2.556 20 30 EFEDHM C=C(CNc1nc2ncccc2cc1-c1nnn[n-]1)c1ccccc1 ZINC001602768412 1096368051 /nfs/dbraw/zinc/36/80/51/1096368051.db2.gz XAXBNJKKEIDDTD-UHFFFAOYSA-N -1 3 329.367 2.935 20 30 EFEDHM C=C(CNc1nc2ncccc2cc1-c1nn[n-]n1)c1ccccc1 ZINC001602768412 1096368057 /nfs/dbraw/zinc/36/80/57/1096368057.db2.gz XAXBNJKKEIDDTD-UHFFFAOYSA-N -1 3 329.367 2.935 20 30 EFEDHM C=C1CCC(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001602775576 1096368909 /nfs/dbraw/zinc/36/89/09/1096368909.db2.gz OBNYFGUZQNBRCN-UHFFFAOYSA-N -1 3 330.367 2.874 20 30 EFEDHM C=C1CCC(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001602775576 1096368918 /nfs/dbraw/zinc/36/89/18/1096368918.db2.gz OBNYFGUZQNBRCN-UHFFFAOYSA-N -1 3 330.367 2.874 20 30 EFEDHM C=C1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001602776589 1096369575 /nfs/dbraw/zinc/36/95/75/1096369575.db2.gz DGWSLGRQTQSXHC-UHFFFAOYSA-N -1 3 332.367 2.622 20 30 EFEDHM C=CC(C)(C)CNC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001602786872 1096370304 /nfs/dbraw/zinc/37/03/04/1096370304.db2.gz NXGIEYGQTVZAQM-HNNXBMFYSA-N -1 3 340.431 2.756 20 30 EFEDHM C=CC(C)(C)CNC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001602786872 1096370311 /nfs/dbraw/zinc/37/03/11/1096370311.db2.gz NXGIEYGQTVZAQM-HNNXBMFYSA-N -1 3 340.431 2.756 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602786699 1096370630 /nfs/dbraw/zinc/37/06/30/1096370630.db2.gz FJMSDHUOVUPCQX-UHFFFAOYSA-N -1 3 344.419 2.989 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602786699 1096370634 /nfs/dbraw/zinc/37/06/34/1096370634.db2.gz FJMSDHUOVUPCQX-UHFFFAOYSA-N -1 3 344.419 2.989 20 30 EFEDHM C=CC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001602785473 1096370790 /nfs/dbraw/zinc/37/07/90/1096370790.db2.gz VXTINGFPHGTTKZ-UHFFFAOYSA-N -1 3 336.739 2.579 20 30 EFEDHM C=CC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001602785473 1096370794 /nfs/dbraw/zinc/37/07/94/1096370794.db2.gz VXTINGFPHGTTKZ-UHFFFAOYSA-N -1 3 336.739 2.579 20 30 EFEDHM C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602786948 1096371124 /nfs/dbraw/zinc/37/11/24/1096371124.db2.gz RKDZVIPUMRXRHF-LBPRGKRZSA-N -1 3 328.420 2.781 20 30 EFEDHM C=CC(C)(C)CNC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602786948 1096371131 /nfs/dbraw/zinc/37/11/31/1096371131.db2.gz RKDZVIPUMRXRHF-LBPRGKRZSA-N -1 3 328.420 2.781 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602786607 1096371296 /nfs/dbraw/zinc/37/12/96/1096371296.db2.gz AEXUCIOLRXDYRH-CYBMUJFWSA-N -1 3 343.431 2.743 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602795591 1096371690 /nfs/dbraw/zinc/37/16/90/1096371690.db2.gz UEULHBHUKBGBOK-PXAZEXFGSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602795591 1096371696 /nfs/dbraw/zinc/37/16/96/1096371696.db2.gz UEULHBHUKBGBOK-PXAZEXFGSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001602803313 1096373454 /nfs/dbraw/zinc/37/34/54/1096373454.db2.gz LAVPCOSQOSAAFU-FZMZJTMJSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001602803313 1096373461 /nfs/dbraw/zinc/37/34/61/1096373461.db2.gz LAVPCOSQOSAAFU-FZMZJTMJSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602803484 1096374296 /nfs/dbraw/zinc/37/42/96/1096374296.db2.gz MXOWPGILPYPWGL-DOMZBBRYSA-N -1 3 326.404 2.678 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602803484 1096374302 /nfs/dbraw/zinc/37/43/02/1096374302.db2.gz MXOWPGILPYPWGL-DOMZBBRYSA-N -1 3 326.404 2.678 20 30 EFEDHM C=C/C=C\CCNC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602807291 1096374422 /nfs/dbraw/zinc/37/44/22/1096374422.db2.gz JEMGLGJUKWAJNR-WAYWQWQTSA-N -1 3 338.415 2.697 20 30 EFEDHM C=C/C=C\CCNC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602807291 1096374429 /nfs/dbraw/zinc/37/44/29/1096374429.db2.gz JEMGLGJUKWAJNR-WAYWQWQTSA-N -1 3 338.415 2.697 20 30 EFEDHM C=CCC(C)(C)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001602810012 1096374666 /nfs/dbraw/zinc/37/46/66/1096374666.db2.gz ZGCLWPUFSQZPFA-UHFFFAOYSA-N -1 3 330.392 2.599 20 30 EFEDHM C=CCC(C)(C)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001602810012 1096374674 /nfs/dbraw/zinc/37/46/74/1096374674.db2.gz ZGCLWPUFSQZPFA-UHFFFAOYSA-N -1 3 330.392 2.599 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001602811391 1096375229 /nfs/dbraw/zinc/37/52/29/1096375229.db2.gz LBKMXYYTGONWSJ-GFCCVEGCSA-N -1 3 346.460 2.743 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001602811391 1096375234 /nfs/dbraw/zinc/37/52/34/1096375234.db2.gz LBKMXYYTGONWSJ-GFCCVEGCSA-N -1 3 346.460 2.743 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001602812256 1096376051 /nfs/dbraw/zinc/37/60/51/1096376051.db2.gz ZOWOHRLVWRHPJY-GFCCVEGCSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001602812256 1096376060 /nfs/dbraw/zinc/37/60/60/1096376060.db2.gz ZOWOHRLVWRHPJY-GFCCVEGCSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001602823894 1096377339 /nfs/dbraw/zinc/37/73/39/1096377339.db2.gz NBHZHCHQQKZIJB-LLVKDONJSA-N -1 3 330.367 2.826 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001602823894 1096377347 /nfs/dbraw/zinc/37/73/47/1096377347.db2.gz NBHZHCHQQKZIJB-LLVKDONJSA-N -1 3 330.367 2.826 20 30 EFEDHM C=CC[C@H]1CCCN(c2cc(-c3nnn[n-]3)c(Br)cn2)C1 ZINC001602824199 1096377410 /nfs/dbraw/zinc/37/74/10/1096377410.db2.gz OQUPNKACAIGAHU-JTQLQIEISA-N -1 3 349.236 2.817 20 30 EFEDHM C=CC[C@H]1CCCN(c2cc(-c3nn[n-]n3)c(Br)cn2)C1 ZINC001602824199 1096377419 /nfs/dbraw/zinc/37/74/19/1096377419.db2.gz OQUPNKACAIGAHU-JTQLQIEISA-N -1 3 349.236 2.817 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001602825243 1096377484 /nfs/dbraw/zinc/37/74/84/1096377484.db2.gz WPIQTFANJXBJIO-GFCCVEGCSA-N -1 3 344.394 2.504 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001602825243 1096377489 /nfs/dbraw/zinc/37/74/89/1096377489.db2.gz WPIQTFANJXBJIO-GFCCVEGCSA-N -1 3 344.394 2.504 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602825271 1096377518 /nfs/dbraw/zinc/37/75/18/1096377518.db2.gz WUDSQHUVURCJNA-GXTWGEPZSA-N -1 3 341.419 2.827 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602825271 1096377525 /nfs/dbraw/zinc/37/75/25/1096377525.db2.gz WUDSQHUVURCJNA-GXTWGEPZSA-N -1 3 341.419 2.827 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001602834169 1096378875 /nfs/dbraw/zinc/37/88/75/1096378875.db2.gz JAZYXMBSOGHISP-UHOFOFEASA-N -1 3 325.416 2.831 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001602834169 1096378883 /nfs/dbraw/zinc/37/88/83/1096378883.db2.gz JAZYXMBSOGHISP-UHOFOFEASA-N -1 3 325.416 2.831 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602840818 1096380996 /nfs/dbraw/zinc/38/09/96/1096380996.db2.gz GNINOEPOVNRDEN-AWEZNQCLSA-N -1 3 343.431 2.837 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602840818 1096381003 /nfs/dbraw/zinc/38/10/03/1096381003.db2.gz GNINOEPOVNRDEN-AWEZNQCLSA-N -1 3 343.431 2.837 20 30 EFEDHM C=CCCCN(CC)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001602840287 1096381580 /nfs/dbraw/zinc/38/15/80/1096381580.db2.gz UZQQZYMFBRCNSI-UHFFFAOYSA-N -1 3 343.431 2.839 20 30 EFEDHM C=CCCCN(CC)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602840287 1096381587 /nfs/dbraw/zinc/38/15/87/1096381587.db2.gz UZQQZYMFBRCNSI-UHFFFAOYSA-N -1 3 343.431 2.839 20 30 EFEDHM C=CCCOCCCCC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001602846485 1096382615 /nfs/dbraw/zinc/38/26/15/1096382615.db2.gz QDCBXGFXVGKZAG-UHFFFAOYSA-N -1 3 335.433 2.938 20 30 EFEDHM C=CCCOCCCCC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001602846485 1096382628 /nfs/dbraw/zinc/38/26/28/1096382628.db2.gz QDCBXGFXVGKZAG-UHFFFAOYSA-N -1 3 335.433 2.938 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)CC(=C)C ZINC001602853973 1096385871 /nfs/dbraw/zinc/38/58/71/1096385871.db2.gz OXJLCMHBNKWWKS-CQSZACIVSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)CC(=C)C ZINC001602853973 1096385881 /nfs/dbraw/zinc/38/58/81/1096385881.db2.gz OXJLCMHBNKWWKS-CQSZACIVSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CC2(CCC2)C1 ZINC001602853525 1096386309 /nfs/dbraw/zinc/38/63/09/1096386309.db2.gz CDHOFTONKFUHHT-UHFFFAOYSA-N -1 3 337.427 2.962 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CC2(CCC2)C1 ZINC001602853525 1096386317 /nfs/dbraw/zinc/38/63/17/1096386317.db2.gz CDHOFTONKFUHHT-UHFFFAOYSA-N -1 3 337.427 2.962 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@H](C)CC2 ZINC001602869849 1096389162 /nfs/dbraw/zinc/38/91/62/1096389162.db2.gz DYJSAOHGPTXFET-ZJUUUORDSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@H](C)CC2 ZINC001602869849 1096389173 /nfs/dbraw/zinc/38/91/73/1096389173.db2.gz DYJSAOHGPTXFET-ZJUUUORDSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCCNc1c(-c2nnn[n-]2)cnc2ccc(C(C)C)cc21 ZINC001602869094 1096389271 /nfs/dbraw/zinc/38/92/71/1096389271.db2.gz ASIWIEXQHANHKQ-UHFFFAOYSA-N -1 3 338.415 2.575 20 30 EFEDHM C=CCOCCNc1c(-c2nn[n-]n2)cnc2ccc(C(C)C)cc21 ZINC001602869094 1096389279 /nfs/dbraw/zinc/38/92/79/1096389279.db2.gz ASIWIEXQHANHKQ-UHFFFAOYSA-N -1 3 338.415 2.575 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@@H](C)CC2 ZINC001602869843 1096389352 /nfs/dbraw/zinc/38/93/52/1096389352.db2.gz DYJSAOHGPTXFET-UWVGGRQHSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@@H](C)CC2 ZINC001602869843 1096389359 /nfs/dbraw/zinc/38/93/59/1096389359.db2.gz DYJSAOHGPTXFET-UWVGGRQHSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOc1ccccc1CNC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602870127 1096390335 /nfs/dbraw/zinc/39/03/35/1096390335.db2.gz HKEDOWHSHZJCAN-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM C=CCOc1ccccc1CNC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602870127 1096390344 /nfs/dbraw/zinc/39/03/44/1096390344.db2.gz HKEDOWHSHZJCAN-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM C=CCc1cc(C=Cc2ccncc2-c2nnn[n-]2)cc(OC)c1O ZINC001602875454 1096391342 /nfs/dbraw/zinc/39/13/42/1096391342.db2.gz DXNRDSNJBWNWJN-WAYWQWQTSA-N -1 3 335.367 2.875 20 30 EFEDHM C=CCc1cc(C=Cc2ccncc2-c2nn[n-]n2)cc(OC)c1O ZINC001602875454 1096391351 /nfs/dbraw/zinc/39/13/51/1096391351.db2.gz DXNRDSNJBWNWJN-WAYWQWQTSA-N -1 3 335.367 2.875 20 30 EFEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)CCC ZINC001602876007 1096392207 /nfs/dbraw/zinc/39/22/07/1096392207.db2.gz OBJACMZLICZKRU-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)CCC ZINC001602876007 1096392213 /nfs/dbraw/zinc/39/22/13/1096392213.db2.gz OBJACMZLICZKRU-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=Cn1cc(C=NNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cn1 ZINC001602889943 1096393780 /nfs/dbraw/zinc/39/37/80/1096393780.db2.gz PXXKONWICMIHLD-UHFFFAOYSA-N -1 3 348.292 2.629 20 30 EFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001602907984 1096397555 /nfs/dbraw/zinc/39/75/55/1096397555.db2.gz FJNFJNJKKXIOEW-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001602907984 1096397561 /nfs/dbraw/zinc/39/75/61/1096397561.db2.gz FJNFJNJKKXIOEW-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC001602908130 1096398202 /nfs/dbraw/zinc/39/82/02/1096398202.db2.gz MARZGGMKLVBHAV-UHFFFAOYSA-N -1 3 347.335 2.812 20 30 EFEDHM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1ccccc1-c1nnn[n-]1 ZINC001602908395 1096398267 /nfs/dbraw/zinc/39/82/67/1096398267.db2.gz WCKSTNSUWYTZLO-UHFFFAOYSA-N -1 3 345.366 2.544 20 30 EFEDHM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1ccccc1-c1nn[n-]n1 ZINC001602908395 1096398273 /nfs/dbraw/zinc/39/82/73/1096398273.db2.gz WCKSTNSUWYTZLO-UHFFFAOYSA-N -1 3 345.366 2.544 20 30 EFEDHM C[C@H](C#N)N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001602988074 1096416440 /nfs/dbraw/zinc/41/64/40/1096416440.db2.gz AJYRCNVVUOXQLM-GFCCVEGCSA-N -1 3 348.366 2.643 20 30 EFEDHM C[C@H](C#N)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602988074 1096416443 /nfs/dbraw/zinc/41/64/43/1096416443.db2.gz AJYRCNVVUOXQLM-GFCCVEGCSA-N -1 3 348.366 2.643 20 30 EFEDHM CC(C)(C#N)CCOC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603034864 1096422017 /nfs/dbraw/zinc/42/20/17/1096422017.db2.gz WLCMERJAFDPGPC-UHFFFAOYSA-N -1 3 345.378 2.766 20 30 EFEDHM CC(C)(C#N)CCOC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603034864 1096422020 /nfs/dbraw/zinc/42/20/20/1096422020.db2.gz WLCMERJAFDPGPC-UHFFFAOYSA-N -1 3 345.378 2.766 20 30 EFEDHM CC(C)C[C@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603263571 1096488322 /nfs/dbraw/zinc/48/83/22/1096488322.db2.gz QFBTVHFXFICGRB-WFASDCNBSA-N -1 3 327.388 2.527 20 30 EFEDHM CC(C)C[C@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603263571 1096488326 /nfs/dbraw/zinc/48/83/26/1096488326.db2.gz QFBTVHFXFICGRB-WFASDCNBSA-N -1 3 327.388 2.527 20 30 EFEDHM C[C@@H](CC#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001603443239 1096527813 /nfs/dbraw/zinc/52/78/13/1096527813.db2.gz QYBBMEYNIBAGBK-LBPRGKRZSA-N -1 3 332.367 2.566 20 30 EFEDHM C[C@@H](CC#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001603443239 1096527821 /nfs/dbraw/zinc/52/78/21/1096527821.db2.gz QYBBMEYNIBAGBK-LBPRGKRZSA-N -1 3 332.367 2.566 20 30 EFEDHM C[C@@H](CC#N)N(C)c1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001603443360 1096529779 /nfs/dbraw/zinc/52/97/79/1096529779.db2.gz SHSIECMOKDMZTC-ZETCQYMHSA-N -1 3 339.172 2.507 20 30 EFEDHM C[C@@H](CC#N)N(C)c1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001603443360 1096529784 /nfs/dbraw/zinc/52/97/84/1096529784.db2.gz SHSIECMOKDMZTC-ZETCQYMHSA-N -1 3 339.172 2.507 20 30 EFEDHM CC(C)(C)c1cc(O)c(O)c(CN2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001603533123 1096545017 /nfs/dbraw/zinc/54/50/17/1096545017.db2.gz NFFGKJVOFXHGQR-UHFFFAOYSA-N -1 3 332.400 2.586 20 30 EFEDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1 ZINC001603702540 1096594835 /nfs/dbraw/zinc/59/48/35/1096594835.db2.gz VUBSSEIBRGLAHN-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC001603702540 1096594840 /nfs/dbraw/zinc/59/48/40/1096594840.db2.gz VUBSSEIBRGLAHN-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)s1 ZINC001603727722 1096605163 /nfs/dbraw/zinc/60/51/63/1096605163.db2.gz MZNUKOFXAKFFOQ-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)s1 ZINC001603727722 1096605169 /nfs/dbraw/zinc/60/51/69/1096605169.db2.gz MZNUKOFXAKFFOQ-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CCCCCC#N ZINC001603730663 1096605909 /nfs/dbraw/zinc/60/59/09/1096605909.db2.gz PRHRFRFLRNZPBZ-CYBMUJFWSA-N -1 3 326.404 2.860 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CCCCCC#N ZINC001603730663 1096605914 /nfs/dbraw/zinc/60/59/14/1096605914.db2.gz PRHRFRFLRNZPBZ-CYBMUJFWSA-N -1 3 326.404 2.860 20 30 EFEDHM C[C@H](c1noc([C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC001603736173 1096609470 /nfs/dbraw/zinc/60/94/70/1096609470.db2.gz GMPIRXUXWKFDSI-HZMBPMFUSA-N -1 3 335.371 2.613 20 30 EFEDHM C[C@H](c1noc([C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC001603736173 1096609473 /nfs/dbraw/zinc/60/94/73/1096609473.db2.gz GMPIRXUXWKFDSI-HZMBPMFUSA-N -1 3 335.371 2.613 20 30 EFEDHM C[C@@]1(C#N)CCCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001603736255 1096610104 /nfs/dbraw/zinc/61/01/04/1096610104.db2.gz JDWFAGWIFBDLKA-AWEZNQCLSA-N -1 3 347.220 2.759 20 30 EFEDHM C[C@@]1(C#N)CCCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001603736255 1096610109 /nfs/dbraw/zinc/61/01/09/1096610109.db2.gz JDWFAGWIFBDLKA-AWEZNQCLSA-N -1 3 347.220 2.759 20 30 EFEDHM CC1(c2noc([C@@H](C#N)Cc3ccc(-c4nnn[n-]4)cc3)n2)CCCC1 ZINC001603822093 1096636963 /nfs/dbraw/zinc/63/69/63/1096636963.db2.gz WHAQTFIUPMYFMH-CQSZACIVSA-N -1 3 349.398 2.931 20 30 EFEDHM CC1(c2noc([C@@H](C#N)Cc3ccc(-c4nn[n-]n4)cc3)n2)CCCC1 ZINC001603822093 1096636967 /nfs/dbraw/zinc/63/69/67/1096636967.db2.gz WHAQTFIUPMYFMH-CQSZACIVSA-N -1 3 349.398 2.931 20 30 EFEDHM CC1=CCCN(c2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)C1 ZINC001603826096 1096638119 /nfs/dbraw/zinc/63/81/19/1096638119.db2.gz FQOFIEYDVNGSIH-UHFFFAOYSA-N -1 3 349.442 2.949 20 30 EFEDHM CC1=CCCN(c2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)C1 ZINC001603826096 1096638122 /nfs/dbraw/zinc/63/81/22/1096638122.db2.gz FQOFIEYDVNGSIH-UHFFFAOYSA-N -1 3 349.442 2.949 20 30 EFEDHM C[C@H]1[C@](C)(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[C@@]1(F)Cl ZINC001603836109 1096639468 /nfs/dbraw/zinc/63/94/68/1096639468.db2.gz PSKOMQLKNSIOPR-HQDFOZKBSA-N -1 3 344.181 2.873 20 30 EFEDHM C[C@H]1[C@](C)(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[C@@]1(F)Cl ZINC001603836109 1096639472 /nfs/dbraw/zinc/63/94/72/1096639472.db2.gz PSKOMQLKNSIOPR-HQDFOZKBSA-N -1 3 344.181 2.873 20 30 EFEDHM C[C@@H]1C[C@@H](CCNc2c(C#N)cccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001603850976 1096645078 /nfs/dbraw/zinc/64/50/78/1096645078.db2.gz OSYDZRMUUFCTTE-CLLJXQQHSA-N -1 3 326.404 2.744 20 30 EFEDHM C[C@@H]1C[C@@H](CCNc2c(C#N)cccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001603850976 1096645084 /nfs/dbraw/zinc/64/50/84/1096645084.db2.gz OSYDZRMUUFCTTE-CLLJXQQHSA-N -1 3 326.404 2.744 20 30 EFEDHM C[C@H]1CC(CCNc2c(C#N)cccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001603850977 1096645825 /nfs/dbraw/zinc/64/58/25/1096645825.db2.gz OSYDZRMUUFCTTE-RYUDHWBXSA-N -1 3 326.404 2.744 20 30 EFEDHM C[C@H]1CC(CCNc2c(C#N)cccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001603850977 1096645827 /nfs/dbraw/zinc/64/58/27/1096645827.db2.gz OSYDZRMUUFCTTE-RYUDHWBXSA-N -1 3 326.404 2.744 20 30 EFEDHM CC1CCC(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)CC1 ZINC001603877817 1096654130 /nfs/dbraw/zinc/65/41/30/1096654130.db2.gz BEKFYFSEKUGVCL-UHFFFAOYSA-N -1 3 329.433 2.634 20 30 EFEDHM CC1CCC(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)CC1 ZINC001603877817 1096654133 /nfs/dbraw/zinc/65/41/33/1096654133.db2.gz BEKFYFSEKUGVCL-UHFFFAOYSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@H]1CCCC[C@H]1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001603892626 1096662195 /nfs/dbraw/zinc/66/21/95/1096662195.db2.gz PWBWVHIJGUUPLL-UWVGGRQHSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@H]1CCCC[C@H]1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001603892626 1096662200 /nfs/dbraw/zinc/66/22/00/1096662200.db2.gz PWBWVHIJGUUPLL-UWVGGRQHSA-N -1 3 329.433 2.634 20 30 EFEDHM CCC(=O)c1cccc(C#N)c1OCc1ccc(-c2nnn[n-]2)s1 ZINC001603978346 1096685726 /nfs/dbraw/zinc/68/57/26/1096685726.db2.gz YKAHHXRLMXIWLI-UHFFFAOYSA-N -1 3 339.380 2.972 20 30 EFEDHM CC[C@@H]1COCC1N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001604116880 1096742732 /nfs/dbraw/zinc/74/27/32/1096742732.db2.gz VUFZUPNIPOUUIJ-MRVPVSSYSA-N -1 3 340.309 2.710 20 30 EFEDHM CC[C@@H]1COCC1N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001604116880 1096742738 /nfs/dbraw/zinc/74/27/38/1096742738.db2.gz VUFZUPNIPOUUIJ-MRVPVSSYSA-N -1 3 340.309 2.710 20 30 EFEDHM CCN(C(=O)c1sccc1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001604267197 1096789878 /nfs/dbraw/zinc/78/98/78/1096789878.db2.gz UCGCDEONLNKNEI-UHFFFAOYSA-N -1 3 338.396 2.661 20 30 EFEDHM CCN(C(=O)c1sccc1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001604267197 1096789882 /nfs/dbraw/zinc/78/98/82/1096789882.db2.gz UCGCDEONLNKNEI-UHFFFAOYSA-N -1 3 338.396 2.661 20 30 EFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCCCC#N ZINC001604445530 1096860382 /nfs/dbraw/zinc/86/03/82/1096860382.db2.gz MZFDMHDXYZXFCV-UHFFFAOYSA-N -1 3 329.360 2.645 20 30 EFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCCCC#N ZINC001604445530 1096860396 /nfs/dbraw/zinc/86/03/96/1096860396.db2.gz MZFDMHDXYZXFCV-UHFFFAOYSA-N -1 3 329.360 2.645 20 30 EFEDHM CCS[C@H]1CCCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001604479344 1096875942 /nfs/dbraw/zinc/87/59/42/1096875942.db2.gz WFGYGOVIJQMKLM-ZDUSSCGKSA-N -1 3 328.445 2.850 20 30 EFEDHM CCS[C@H]1CCCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001604479344 1096875949 /nfs/dbraw/zinc/87/59/49/1096875949.db2.gz WFGYGOVIJQMKLM-ZDUSSCGKSA-N -1 3 328.445 2.850 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)Cc2ccc(C#N)cc2)s1 ZINC001604510034 1096884717 /nfs/dbraw/zinc/88/47/17/1096884717.db2.gz GDHJFOVHJUCASK-UHFFFAOYSA-N -1 3 338.396 2.543 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2ccc(C#N)cc2)s1 ZINC001604510034 1096884724 /nfs/dbraw/zinc/88/47/24/1096884724.db2.gz GDHJFOVHJUCASK-UHFFFAOYSA-N -1 3 338.396 2.543 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cc(C#N)ccc2F)s1 ZINC001604510212 1096884998 /nfs/dbraw/zinc/88/49/98/1096884998.db2.gz JHDCWTWRBKWUHR-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc(C#N)ccc2F)s1 ZINC001604510212 1096885003 /nfs/dbraw/zinc/88/50/03/1096885003.db2.gz JHDCWTWRBKWUHR-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC001604510915 1096886181 /nfs/dbraw/zinc/88/61/81/1096886181.db2.gz LMYWFSDMTBQBAH-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC001604510915 1096886186 /nfs/dbraw/zinc/88/61/86/1096886186.db2.gz LMYWFSDMTBQBAH-UHFFFAOYSA-N -1 3 342.359 2.754 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC001604511207 1096886679 /nfs/dbraw/zinc/88/66/79/1096886679.db2.gz VFAXKDMSJRSLNT-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1cc(C#N)c(NC(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC001604511207 1096886684 /nfs/dbraw/zinc/88/66/84/1096886684.db2.gz VFAXKDMSJRSLNT-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CN(CC(C)(C)C#N)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001604712598 1096937727 /nfs/dbraw/zinc/93/77/27/1096937727.db2.gz GJMZSXAZTGOGTD-UHFFFAOYSA-N -1 3 339.403 2.758 20 30 EFEDHM CN(CC(C)(C)C#N)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001604712598 1096937731 /nfs/dbraw/zinc/93/77/31/1096937731.db2.gz GJMZSXAZTGOGTD-UHFFFAOYSA-N -1 3 339.403 2.758 20 30 EFEDHM COC(=O)c1csc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001604990349 1096994900 /nfs/dbraw/zinc/99/49/00/1096994900.db2.gz QPUXMAKAXLNFIQ-UHFFFAOYSA-N -1 3 342.384 2.551 20 30 EFEDHM COc1cc(C#N)ccc1CN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001605191440 1097048103 /nfs/dbraw/zinc/04/81/03/1097048103.db2.gz UWSSMYWOQCLGNE-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001605202410 1097050529 /nfs/dbraw/zinc/05/05/29/1097050529.db2.gz SVQCECVXXMBBOC-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001605202410 1097050533 /nfs/dbraw/zinc/05/05/33/1097050533.db2.gz SVQCECVXXMBBOC-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc2c(cc1F)CC(=Cc1ccc(-c3nnn[n-]3)s1)C2=O ZINC001605238126 1097064207 /nfs/dbraw/zinc/06/42/07/1097064207.db2.gz CMINRXXAZRSWMR-UITAMQMPSA-N -1 3 342.355 2.898 20 30 EFEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC001605264180 1097073540 /nfs/dbraw/zinc/07/35/40/1097073540.db2.gz QDCFWPUNZKMKHX-UHFFFAOYSA-N -1 3 338.371 2.720 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001605270104 1097075405 /nfs/dbraw/zinc/07/54/05/1097075405.db2.gz OGNQWZUDCTZYTB-HYXAFXHYSA-N -1 3 342.380 2.842 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001605270104 1097075408 /nfs/dbraw/zinc/07/54/08/1097075408.db2.gz OGNQWZUDCTZYTB-HYXAFXHYSA-N -1 3 342.380 2.842 20 30 EFEDHM COc1ccc(C=C2Oc3cc(F)ccc3C2=O)cc1-c1nnn[n-]1 ZINC001605270644 1097075773 /nfs/dbraw/zinc/07/57/73/1097075773.db2.gz YNIWGILZDZFAEZ-VIZOYTHASA-N -1 3 338.298 2.631 20 30 EFEDHM COc1ccc(C=C2Oc3cc(F)ccc3C2=O)cc1-c1nn[n-]n1 ZINC001605270644 1097075778 /nfs/dbraw/zinc/07/57/78/1097075778.db2.gz YNIWGILZDZFAEZ-VIZOYTHASA-N -1 3 338.298 2.631 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605303313 1097088732 /nfs/dbraw/zinc/08/87/32/1097088732.db2.gz NNLYUPUQXRFBMQ-DAXSKMNVSA-N -1 3 336.351 2.785 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605303313 1097088738 /nfs/dbraw/zinc/08/87/38/1097088738.db2.gz NNLYUPUQXRFBMQ-DAXSKMNVSA-N -1 3 336.351 2.785 20 30 EFEDHM CCN(CC)c1ccc(/C=[NH+]\CC2(C(=O)[O-])CCOCC2)c([O-])c1 ZINC001605435034 1097124778 /nfs/dbraw/zinc/12/47/78/1097124778.db2.gz SIWNKQRXKGYGBC-UNOMPAQXSA-N -1 3 334.416 2.539 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N1Cc2cccc(C#N)c2C1 ZINC001605512370 1097141488 /nfs/dbraw/zinc/14/14/88/1097141488.db2.gz IGTZRMUJIALYTC-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N1Cc2cccc(C#N)c2C1 ZINC001605512370 1097141490 /nfs/dbraw/zinc/14/14/90/1097141490.db2.gz IGTZRMUJIALYTC-UHFFFAOYSA-N -1 3 344.378 2.511 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N1CCc2c1cccc2C#N ZINC001605513999 1097142391 /nfs/dbraw/zinc/14/23/91/1097142391.db2.gz YWPDWSRAHOZVJR-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N1CCc2c1cccc2C#N ZINC001605513999 1097142396 /nfs/dbraw/zinc/14/23/96/1097142396.db2.gz YWPDWSRAHOZVJR-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NNCc1ccccc1N(C)C ZINC001605515195 1097143394 /nfs/dbraw/zinc/14/33/94/1097143394.db2.gz HLODZJXZSIOQGF-UHFFFAOYSA-N -1 3 349.442 2.673 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NNCc1ccccc1N(C)C ZINC001605515195 1097143400 /nfs/dbraw/zinc/14/34/00/1097143400.db2.gz HLODZJXZSIOQGF-UHFFFAOYSA-N -1 3 349.442 2.673 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)OCCCC(C)(C)C#N ZINC001605520285 1097144827 /nfs/dbraw/zinc/14/48/27/1097144827.db2.gz HDCJYFXNODJCQT-UHFFFAOYSA-N -1 3 341.415 2.899 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)OCCCC(C)(C)C#N ZINC001605520285 1097144829 /nfs/dbraw/zinc/14/48/29/1097144829.db2.gz HDCJYFXNODJCQT-UHFFFAOYSA-N -1 3 341.415 2.899 20 30 EFEDHM Cc1cc(OC(=O)c2ncc(-c3nnn[n-]3)cc2C)c(C)c(C)c1C#N ZINC001605553970 1097157781 /nfs/dbraw/zinc/15/77/81/1097157781.db2.gz AEZVWCCTRXBQGO-UHFFFAOYSA-N -1 3 348.366 2.586 20 30 EFEDHM Cc1cc(OC(=O)c2ncc(-c3nn[n-]n3)cc2C)c(C)c(C)c1C#N ZINC001605553970 1097157787 /nfs/dbraw/zinc/15/77/87/1097157787.db2.gz AEZVWCCTRXBQGO-UHFFFAOYSA-N -1 3 348.366 2.586 20 30 EFEDHM Cc1cc(CN=Nc2cnc3ccccc3n2)ccc1-c1nnn[n-]1 ZINC001605652197 1097180650 /nfs/dbraw/zinc/18/06/50/1097180650.db2.gz GITNTQYLLBSNRD-UHFFFAOYSA-N -1 3 330.355 2.564 20 30 EFEDHM Cc1cc(CN=Nc2cnc3ccccc3n2)ccc1-c1nn[n-]n1 ZINC001605652197 1097180651 /nfs/dbraw/zinc/18/06/51/1097180651.db2.gz GITNTQYLLBSNRD-UHFFFAOYSA-N -1 3 330.355 2.564 20 30 EFEDHM Cc1cc(Cl)cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001605668167 1097187929 /nfs/dbraw/zinc/18/79/29/1097187929.db2.gz MGTGFKVEQXJRQA-UHFFFAOYSA-N -1 3 326.791 2.952 20 30 EFEDHM Cc1cc(Cl)cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605668167 1097187934 /nfs/dbraw/zinc/18/79/34/1097187934.db2.gz MGTGFKVEQXJRQA-UHFFFAOYSA-N -1 3 326.791 2.952 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)CCC#N ZINC001605677463 1097191864 /nfs/dbraw/zinc/19/18/64/1097191864.db2.gz DRHBFBXQENHARO-UHFFFAOYSA-N -1 3 345.382 2.766 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)CCC#N ZINC001605677463 1097191866 /nfs/dbraw/zinc/19/18/66/1097191866.db2.gz DRHBFBXQENHARO-UHFFFAOYSA-N -1 3 345.382 2.766 20 30 EFEDHM Cc1cc(F)c(C#N)c(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001605678219 1097191985 /nfs/dbraw/zinc/19/19/85/1097191985.db2.gz RGTHFNCLTUQLGR-UHFFFAOYSA-N -1 3 326.310 2.937 20 30 EFEDHM Cc1cc(F)c(C#N)c(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001605678219 1097191987 /nfs/dbraw/zinc/19/19/87/1097191987.db2.gz RGTHFNCLTUQLGR-UHFFFAOYSA-N -1 3 326.310 2.937 20 30 EFEDHM Cc1cc(N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)ncc1C#N ZINC001605695935 1097197130 /nfs/dbraw/zinc/19/71/30/1097197130.db2.gz XHGUSNPQMPKLAF-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)ncc1C#N ZINC001605695935 1097197133 /nfs/dbraw/zinc/19/71/33/1097197133.db2.gz XHGUSNPQMPKLAF-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(OC(=O)C2(c3cccc(C#N)c3)CC2)ccc1-c1nnn[n-]1 ZINC001605745413 1097214057 /nfs/dbraw/zinc/21/40/57/1097214057.db2.gz YJGZORYNRAYKRL-UHFFFAOYSA-N -1 3 345.362 2.684 20 30 EFEDHM Cc1cc(OC(=O)C2(c3cccc(C#N)c3)CC2)ccc1-c1nn[n-]n1 ZINC001605745413 1097214060 /nfs/dbraw/zinc/21/40/60/1097214060.db2.gz YJGZORYNRAYKRL-UHFFFAOYSA-N -1 3 345.362 2.684 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001605805905 1097233140 /nfs/dbraw/zinc/23/31/40/1097233140.db2.gz LUDSMCLSLUTNML-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001605805905 1097233144 /nfs/dbraw/zinc/23/31/44/1097233144.db2.gz LUDSMCLSLUTNML-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(CC2CN(c3c(C#N)cccc3-c3nnn[n-]3)C2)cc1 ZINC001605842528 1097247598 /nfs/dbraw/zinc/24/75/98/1097247598.db2.gz VHJPZOMOKZFKPJ-UHFFFAOYSA-N -1 3 330.395 2.726 20 30 EFEDHM Cc1ccc(CC2CN(c3c(C#N)cccc3-c3nn[n-]n3)C2)cc1 ZINC001605842528 1097247602 /nfs/dbraw/zinc/24/76/02/1097247602.db2.gz VHJPZOMOKZFKPJ-UHFFFAOYSA-N -1 3 330.395 2.726 20 30 EFEDHM Cc1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001605856080 1097254399 /nfs/dbraw/zinc/25/43/99/1097254399.db2.gz GSDIPDRHECKFJH-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc(CNc2ccc(C#N)cc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001605856080 1097254403 /nfs/dbraw/zinc/25/44/03/1097254403.db2.gz GSDIPDRHECKFJH-UHFFFAOYSA-N -1 3 335.327 2.567 20 30 EFEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605884531 1097265135 /nfs/dbraw/zinc/26/51/35/1097265135.db2.gz LATIRFKJEKLDNQ-UHFFFAOYSA-N -1 3 337.343 2.838 20 30 EFEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605884531 1097265139 /nfs/dbraw/zinc/26/51/39/1097265139.db2.gz LATIRFKJEKLDNQ-UHFFFAOYSA-N -1 3 337.343 2.838 20 30 EFEDHM Cc1cccc(CNN=Cc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC001605914413 1097274291 /nfs/dbraw/zinc/27/42/91/1097274291.db2.gz KTFISAODTBBJRH-UHFFFAOYSA-N -1 3 328.326 2.577 20 30 EFEDHM Cc1cccc(CNN=Cc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC001605914413 1097274297 /nfs/dbraw/zinc/27/42/97/1097274297.db2.gz KTFISAODTBBJRH-UHFFFAOYSA-N -1 3 328.326 2.577 20 30 EFEDHM Cc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC001605920223 1097276798 /nfs/dbraw/zinc/27/67/98/1097276798.db2.gz PKDVFCNSXPZPAJ-MRXNPFEDSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1cccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC001605920223 1097276801 /nfs/dbraw/zinc/27/68/01/1097276801.db2.gz PKDVFCNSXPZPAJ-MRXNPFEDSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1ccccc1CC1CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001605939116 1097281315 /nfs/dbraw/zinc/28/13/15/1097281315.db2.gz IUHTWFZMZBTHFM-UHFFFAOYSA-N -1 3 330.395 2.726 20 30 EFEDHM Cc1ccccc1CC1CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001605939116 1097281316 /nfs/dbraw/zinc/28/13/16/1097281316.db2.gz IUHTWFZMZBTHFM-UHFFFAOYSA-N -1 3 330.395 2.726 20 30 EFEDHM FC(F)(F)c1cc(NNC=C2CC2(F)F)ccc1-c1nn[n-]n1 ZINC001606292438 1097362390 /nfs/dbraw/zinc/36/23/90/1097362390.db2.gz UGDVJZWTNAUVFE-ZCFIWIBFSA-N -1 3 332.236 2.938 20 30 EFEDHM C=CCC(CC=C)C(=O)N[C@@H](C)CCNC(=O)c1ccccc1[O-] ZINC001075670739 1097371826 /nfs/dbraw/zinc/37/18/26/1097371826.db2.gz KHVXDFLMRJMRBC-AWEZNQCLSA-N -1 3 330.428 2.785 20 30 EFEDHM N#C[C@]1(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CC12CCCC2 ZINC001606339986 1097387038 /nfs/dbraw/zinc/38/70/38/1097387038.db2.gz BWLUTEDWHRIVGD-KRWDZBQOSA-N -1 3 341.346 2.523 20 30 EFEDHM N#C[C@]1(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CC12CCCC2 ZINC001606339986 1097387045 /nfs/dbraw/zinc/38/70/45/1097387045.db2.gz BWLUTEDWHRIVGD-KRWDZBQOSA-N -1 3 341.346 2.523 20 30 EFEDHM N#C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC12CCCC2 ZINC001606339937 1097387553 /nfs/dbraw/zinc/38/75/53/1097387553.db2.gz AJDOLDNMSHIBNX-INIZCTEOSA-N -1 3 342.790 2.933 20 30 EFEDHM N#C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC12CCCC2 ZINC001606339937 1097387559 /nfs/dbraw/zinc/38/75/59/1097387559.db2.gz AJDOLDNMSHIBNX-INIZCTEOSA-N -1 3 342.790 2.933 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cn1 ZINC001606340310 1097388220 /nfs/dbraw/zinc/38/82/20/1097388220.db2.gz JKJFXNGWWGPCQO-ROUUACIJSA-N -1 3 345.410 2.533 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cn1 ZINC001606340310 1097388223 /nfs/dbraw/zinc/38/82/23/1097388223.db2.gz JKJFXNGWWGPCQO-ROUUACIJSA-N -1 3 345.410 2.533 20 30 EFEDHM N#CCC1(CNc2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC001606345928 1097389549 /nfs/dbraw/zinc/38/95/49/1097389549.db2.gz KDSGXSQLDSWQDY-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CCC1(CNc2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC001606345928 1097389556 /nfs/dbraw/zinc/38/95/56/1097389556.db2.gz KDSGXSQLDSWQDY-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CC1(CNC(=S)Nc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001606342847 1097390136 /nfs/dbraw/zinc/39/01/36/1097390136.db2.gz DBKGNHLCHIUJHB-UHFFFAOYSA-N -1 3 341.444 2.627 20 30 EFEDHM N#CC1(CNC(=S)Nc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001606342847 1097390140 /nfs/dbraw/zinc/39/01/40/1097390140.db2.gz DBKGNHLCHIUJHB-UHFFFAOYSA-N -1 3 341.444 2.627 20 30 EFEDHM N#C[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC001606345720 1097390198 /nfs/dbraw/zinc/39/01/98/1097390198.db2.gz OAYZSCVOQRVYMD-JTQLQIEISA-N -1 3 336.321 2.621 20 30 EFEDHM N#C[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001606345720 1097390204 /nfs/dbraw/zinc/39/02/04/1097390204.db2.gz OAYZSCVOQRVYMD-JTQLQIEISA-N -1 3 336.321 2.621 20 30 EFEDHM N#CCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001606349077 1097391382 /nfs/dbraw/zinc/39/13/82/1097391382.db2.gz CURZYZSBTWLZRM-UHFFFAOYSA-N -1 3 349.354 2.694 20 30 EFEDHM N#CCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001606349077 1097391390 /nfs/dbraw/zinc/39/13/90/1097391390.db2.gz CURZYZSBTWLZRM-UHFFFAOYSA-N -1 3 349.354 2.694 20 30 EFEDHM N#Cc1cc(Cl)ccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001606361889 1097392443 /nfs/dbraw/zinc/39/24/43/1097392443.db2.gz PJIYKBRDGOWIQT-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cc(Cl)ccc1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001606361889 1097392445 /nfs/dbraw/zinc/39/24/45/1097392445.db2.gz PJIYKBRDGOWIQT-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3scnc3c2)ccc1-c1nnn[n-]1 ZINC001606361781 1097392869 /nfs/dbraw/zinc/39/28/69/1097392869.db2.gz ZMDZZOXDMZRJSZ-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc3scnc3c2)ccc1-c1nn[n-]n1 ZINC001606361781 1097392874 /nfs/dbraw/zinc/39/28/74/1097392874.db2.gz ZMDZZOXDMZRJSZ-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1c(F)cc(CNc2cc(F)ccc2-c2nnn[n-]2)cc1F ZINC001606356082 1097393283 /nfs/dbraw/zinc/39/32/83/1097393283.db2.gz HLEXXKZTQOXHQT-UHFFFAOYSA-N -1 3 330.273 2.768 20 30 EFEDHM N#Cc1c(F)cc(CNc2cc(F)ccc2-c2nn[n-]n2)cc1F ZINC001606356082 1097393290 /nfs/dbraw/zinc/39/32/90/1097393290.db2.gz HLEXXKZTQOXHQT-UHFFFAOYSA-N -1 3 330.273 2.768 20 30 EFEDHM N#Cc1ccc(CC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001606367035 1097394235 /nfs/dbraw/zinc/39/42/35/1097394235.db2.gz BNNXVBFJDVPXQN-UHFFFAOYSA-N -1 3 335.392 2.642 20 30 EFEDHM N#Cc1ccc(CC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001606367035 1097394240 /nfs/dbraw/zinc/39/42/40/1097394240.db2.gz BNNXVBFJDVPXQN-UHFFFAOYSA-N -1 3 335.392 2.642 20 30 EFEDHM N#Cc1ccc(OCCOc2ccccc2-c2nnn[n-]2)cc1Cl ZINC001606379444 1097394949 /nfs/dbraw/zinc/39/49/49/1097394949.db2.gz XXOHKDJIGIRTKX-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccc(OCCOc2ccccc2-c2nn[n-]n2)cc1Cl ZINC001606379444 1097394956 /nfs/dbraw/zinc/39/49/56/1097394956.db2.gz XXOHKDJIGIRTKX-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccn(-c2ccccc2)n1 ZINC001606379617 1097395716 /nfs/dbraw/zinc/39/57/16/1097395716.db2.gz GIPFVNUUICFQDU-UHFFFAOYSA-N -1 3 328.339 2.668 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccn(-c2ccccc2)n1 ZINC001606379617 1097395720 /nfs/dbraw/zinc/39/57/20/1097395720.db2.gz GIPFVNUUICFQDU-UHFFFAOYSA-N -1 3 328.339 2.668 20 30 EFEDHM N#Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001606377576 1097395751 /nfs/dbraw/zinc/39/57/51/1097395751.db2.gz NCISXFXBXZVWRE-UHFFFAOYSA-N -1 3 340.774 2.883 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Sc1nnc(-c2ccccc2)o1 ZINC001606380271 1097396743 /nfs/dbraw/zinc/39/67/43/1097396743.db2.gz XFSXDBLFIUWYRF-UHFFFAOYSA-N -1 3 347.363 2.940 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Sc1nnc(-c2ccccc2)o1 ZINC001606380271 1097396750 /nfs/dbraw/zinc/39/67/50/1097396750.db2.gz XFSXDBLFIUWYRF-UHFFFAOYSA-N -1 3 347.363 2.940 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC2(CCSCC2)CC1 ZINC001606380589 1097396767 /nfs/dbraw/zinc/39/67/67/1097396767.db2.gz AMNOWOBAJRQGGP-UHFFFAOYSA-N -1 3 340.456 2.852 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC2(CCSCC2)CC1 ZINC001606380589 1097396771 /nfs/dbraw/zinc/39/67/71/1097396771.db2.gz AMNOWOBAJRQGGP-UHFFFAOYSA-N -1 3 340.456 2.852 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1c(F)cc(F)cc1F ZINC001606380427 1097397026 /nfs/dbraw/zinc/39/70/26/1097397026.db2.gz YOUBVCQKPAYNPP-UHFFFAOYSA-N -1 3 330.273 2.768 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1c(F)cc(F)cc1F ZINC001606380427 1097397030 /nfs/dbraw/zinc/39/70/30/1097397030.db2.gz YOUBVCQKPAYNPP-UHFFFAOYSA-N -1 3 330.273 2.768 20 30 EFEDHM N#Cc1ncn(CCCCc2cccc(Cl)c2)c1-c1nnn[n-]1 ZINC001606398862 1097399008 /nfs/dbraw/zinc/39/90/08/1097399008.db2.gz YUCXYUNHZLEJOK-UHFFFAOYSA-N -1 3 327.779 2.611 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482345 1097405793 /nfs/dbraw/zinc/40/57/93/1097405793.db2.gz RUNFVVVZZDKQHT-DAXSKMNVSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482345 1097405797 /nfs/dbraw/zinc/40/57/97/1097405797.db2.gz RUNFVVVZZDKQHT-DAXSKMNVSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C(C=Cc1ccc(F)nc1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001606482371 1097406076 /nfs/dbraw/zinc/40/60/76/1097406076.db2.gz MKEGUJAEGXWWJC-KTAJNNJTSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1ccc(F)nc1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001606482371 1097406079 /nfs/dbraw/zinc/40/60/79/1097406079.db2.gz MKEGUJAEGXWWJC-KTAJNNJTSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C1C(=Cc2cccc(F)c2F)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001607037456 1097501181 /nfs/dbraw/zinc/50/11/81/1097501181.db2.gz MAHPWIUZETWQRK-WDZFZDKYSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2cccc(F)c2F)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001607037456 1097501188 /nfs/dbraw/zinc/50/11/88/1097501188.db2.gz MAHPWIUZETWQRK-WDZFZDKYSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001607037230 1097502051 /nfs/dbraw/zinc/50/20/51/1097502051.db2.gz UKSORPWWKZQUCW-VZUCSPMQSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001607037230 1097502053 /nfs/dbraw/zinc/50/20/53/1097502053.db2.gz UKSORPWWKZQUCW-VZUCSPMQSA-N -1 3 340.289 2.804 20 30 EFEDHM COc1ccc([C@H](NCc2c(C)cc(C#N)cc2C)C(=O)[O-])cc1O ZINC001607233247 1097567513 /nfs/dbraw/zinc/56/75/13/1097567513.db2.gz RPDMOOIHDVJSLA-SFHVURJKSA-N -1 3 340.379 2.805 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001608084777 1097829217 /nfs/dbraw/zinc/82/92/17/1097829217.db2.gz FLNUQMGVUJCLGA-XQQFMLRXSA-N -1 3 325.368 2.641 20 30 EFEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC001608199510 1097859411 /nfs/dbraw/zinc/85/94/11/1097859411.db2.gz KZZJHECHGVIAPC-FHWLQOOXSA-N -1 3 333.391 2.647 20 30 EFEDHM N#Cc1ccc(C2(NCc3ccoc3C(=O)[O-])CCOCC2)cc1 ZINC001608204043 1097861599 /nfs/dbraw/zinc/86/15/99/1097861599.db2.gz PVTPXPQCAVLSRO-UHFFFAOYSA-N -1 3 326.352 2.645 20 30 EFEDHM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1F ZINC001608207631 1097863053 /nfs/dbraw/zinc/86/30/53/1097863053.db2.gz NYPGBEUODDYDNB-QGZVFWFLSA-N -1 3 326.327 2.548 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001608214732 1097865794 /nfs/dbraw/zinc/86/57/94/1097865794.db2.gz SPPLSSUOPCJOEA-JKSUJKDBSA-N -1 3 336.395 2.955 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC001608214729 1097866421 /nfs/dbraw/zinc/86/64/21/1097866421.db2.gz SPPLSSUOPCJOEA-HOTGVXAUSA-N -1 3 336.395 2.955 20 30 EFEDHM N#Cc1cccc(OC2CCN([C@@H](C(=O)[O-])c3cccnc3)CC2)c1 ZINC001608218378 1097867432 /nfs/dbraw/zinc/86/74/32/1097867432.db2.gz NHPGMLLNLSPIKT-GOSISDBHSA-N -1 3 337.379 2.622 20 30 EFEDHM C#CCN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001609020781 1098113462 /nfs/dbraw/zinc/11/34/62/1098113462.db2.gz IENHWPHNMXPNPU-UHFFFAOYSA-N -1 3 348.366 2.756 20 30 EFEDHM C#CCN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001609020781 1098113468 /nfs/dbraw/zinc/11/34/68/1098113468.db2.gz IENHWPHNMXPNPU-UHFFFAOYSA-N -1 3 348.366 2.756 20 30 EFEDHM c1cc(-c2nnn[n-]2)ccc1N=NCC[C@@H]1CCCCC12OCCO2 ZINC001609022463 1098114383 /nfs/dbraw/zinc/11/43/83/1098114383.db2.gz SUHTXHLEYUDVLZ-AWEZNQCLSA-N -1 3 342.403 2.588 20 30 EFEDHM c1cc(-c2nn[n-]n2)ccc1N=NCC[C@@H]1CCCCC12OCCO2 ZINC001609022463 1098114385 /nfs/dbraw/zinc/11/43/85/1098114385.db2.gz SUHTXHLEYUDVLZ-AWEZNQCLSA-N -1 3 342.403 2.588 20 30 EFEDHM c1cc(-c2nnn[n-]2)ccc1N=NCC[C@H]1CCCCC12OCCO2 ZINC001609022464 1098114616 /nfs/dbraw/zinc/11/46/16/1098114616.db2.gz SUHTXHLEYUDVLZ-CQSZACIVSA-N -1 3 342.403 2.588 20 30 EFEDHM c1cc(-c2nn[n-]n2)ccc1N=NCC[C@H]1CCCCC12OCCO2 ZINC001609022464 1098114619 /nfs/dbraw/zinc/11/46/19/1098114619.db2.gz SUHTXHLEYUDVLZ-CQSZACIVSA-N -1 3 342.403 2.588 20 30 EFEDHM C=CC(C)(C)CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001609051940 1098121342 /nfs/dbraw/zinc/12/13/42/1098121342.db2.gz CBXGMOZAMKXXCW-UHFFFAOYSA-N -1 3 343.431 2.744 20 30 EFEDHM C=CC(C)(C)CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001609051940 1098121344 /nfs/dbraw/zinc/12/13/44/1098121344.db2.gz CBXGMOZAMKXXCW-UHFFFAOYSA-N -1 3 343.431 2.744 20 30 EFEDHM C=C(C)CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609050917 1098121498 /nfs/dbraw/zinc/12/14/98/1098121498.db2.gz HVEFWOBYZGIQSK-UHFFFAOYSA-N -1 3 340.309 2.973 20 30 EFEDHM C=C(C)CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609050917 1098121502 /nfs/dbraw/zinc/12/15/02/1098121502.db2.gz HVEFWOBYZGIQSK-UHFFFAOYSA-N -1 3 340.309 2.973 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001609051371 1098121755 /nfs/dbraw/zinc/12/17/55/1098121755.db2.gz XFUIGYJLIQVPJO-XJKSGUPXSA-N -1 3 340.431 2.534 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001609051371 1098121759 /nfs/dbraw/zinc/12/17/59/1098121759.db2.gz XFUIGYJLIQVPJO-XJKSGUPXSA-N -1 3 340.431 2.534 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001609051910 1098121800 /nfs/dbraw/zinc/12/18/00/1098121800.db2.gz BAJOQDNAHAXQBO-HNNXBMFYSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001609051910 1098121802 /nfs/dbraw/zinc/12/18/02/1098121802.db2.gz BAJOQDNAHAXQBO-HNNXBMFYSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C(C)CNC(=S)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609051598 1098122128 /nfs/dbraw/zinc/12/21/28/1098122128.db2.gz JOLQIJXBJVOWKX-UHFFFAOYSA-N -1 3 330.461 2.780 20 30 EFEDHM C=C(C)CNC(=S)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609051598 1098122131 /nfs/dbraw/zinc/12/21/31/1098122131.db2.gz JOLQIJXBJVOWKX-UHFFFAOYSA-N -1 3 330.461 2.780 20 30 EFEDHM C=C(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001609051991 1098122137 /nfs/dbraw/zinc/12/21/37/1098122137.db2.gz FNWJQFDVAYITFC-VAWYXSNFSA-N -1 3 331.379 2.710 20 30 EFEDHM C=C(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001609051991 1098122141 /nfs/dbraw/zinc/12/21/41/1098122141.db2.gz FNWJQFDVAYITFC-VAWYXSNFSA-N -1 3 331.379 2.710 20 30 EFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052489 1098122660 /nfs/dbraw/zinc/12/26/60/1098122660.db2.gz DXJSOSBEMZLCTB-OAHLLOKOSA-N -1 3 325.416 2.963 20 30 EFEDHM C=CCC(C)(C)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052489 1098122664 /nfs/dbraw/zinc/12/26/64/1098122664.db2.gz DXJSOSBEMZLCTB-OAHLLOKOSA-N -1 3 325.416 2.963 20 30 EFEDHM C=CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)c(OC)c2)CCCC1 ZINC001609053883 1098122948 /nfs/dbraw/zinc/12/29/48/1098122948.db2.gz SSVDSTGXIBUMRQ-UHFFFAOYSA-N -1 3 328.372 2.917 20 30 EFEDHM C=CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)c(OC)c2)CCCC1 ZINC001609053883 1098122950 /nfs/dbraw/zinc/12/29/50/1098122950.db2.gz SSVDSTGXIBUMRQ-UHFFFAOYSA-N -1 3 328.372 2.917 20 30 EFEDHM C=CC[C@@H](C)NC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052706 1098123051 /nfs/dbraw/zinc/12/30/51/1098123051.db2.gz NOESDDBBXCIVGW-ABAIWWIYSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CC[C@@H](C)NC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052706 1098123053 /nfs/dbraw/zinc/12/30/53/1098123053.db2.gz NOESDDBBXCIVGW-ABAIWWIYSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CCC1(NC(=O)COc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001609053520 1098123190 /nfs/dbraw/zinc/12/31/90/1098123190.db2.gz LPCMZRMNZHBZLG-UHFFFAOYSA-N -1 3 341.415 2.641 20 30 EFEDHM C=CCC1(NC(=O)COc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001609053520 1098123192 /nfs/dbraw/zinc/12/31/92/1098123192.db2.gz LPCMZRMNZHBZLG-UHFFFAOYSA-N -1 3 341.415 2.641 20 30 EFEDHM C=CCCN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001609054859 1098123335 /nfs/dbraw/zinc/12/33/35/1098123335.db2.gz JEJOCJWPFWKTQI-UHFFFAOYSA-N -1 3 330.392 2.694 20 30 EFEDHM C=CCCN(C)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001609054859 1098123338 /nfs/dbraw/zinc/12/33/38/1098123338.db2.gz JEJOCJWPFWKTQI-UHFFFAOYSA-N -1 3 330.392 2.694 20 30 EFEDHM C=CCCCCCCNC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001609053761 1098123508 /nfs/dbraw/zinc/12/35/08/1098123508.db2.gz PUXJZKMUUQCMCU-UHFFFAOYSA-N -1 3 342.447 2.799 20 30 EFEDHM C=CCCCCCCNC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001609053761 1098123512 /nfs/dbraw/zinc/12/35/12/1098123512.db2.gz PUXJZKMUUQCMCU-UHFFFAOYSA-N -1 3 342.447 2.799 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609053772 1098123623 /nfs/dbraw/zinc/12/36/23/1098123623.db2.gz RDLNOSRNVIAHRP-HOCLYGCPSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609053772 1098123627 /nfs/dbraw/zinc/12/36/27/1098123627.db2.gz RDLNOSRNVIAHRP-HOCLYGCPSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCO[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(C)cc32)C1 ZINC001609058490 1098124534 /nfs/dbraw/zinc/12/45/34/1098124534.db2.gz BIKMTIOCYGAVRC-ZDUSSCGKSA-N -1 3 336.399 2.505 20 30 EFEDHM C=CCO[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(C)cc32)C1 ZINC001609058490 1098124539 /nfs/dbraw/zinc/12/45/39/1098124539.db2.gz BIKMTIOCYGAVRC-ZDUSSCGKSA-N -1 3 336.399 2.505 20 30 EFEDHM CC(=NN=C(C)c1ccc(-c2nnn[n-]2)cc1Cl)c1cnccn1 ZINC001609060563 1098125527 /nfs/dbraw/zinc/12/55/27/1098125527.db2.gz QNQWBMKKKUVHLT-UHFFFAOYSA-N -1 3 340.778 2.543 20 30 EFEDHM CC(=NN=C(C)c1ccc(-c2nn[n-]n2)cc1Cl)c1cnccn1 ZINC001609060563 1098125532 /nfs/dbraw/zinc/12/55/32/1098125532.db2.gz QNQWBMKKKUVHLT-UHFFFAOYSA-N -1 3 340.778 2.543 20 30 EFEDHM C=CCOCCSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC001609059022 1098126370 /nfs/dbraw/zinc/12/63/70/1098126370.db2.gz KKMAIAVHDRJVRT-UHFFFAOYSA-N -1 3 345.350 2.884 20 30 EFEDHM C=CCn1c(C)nnc1S[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609059411 1098126643 /nfs/dbraw/zinc/12/66/43/1098126643.db2.gz LXFKDMGOUVKQHQ-SNVBAGLBSA-N -1 3 327.417 2.806 20 30 EFEDHM C=CCn1c(C)nnc1S[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609059411 1098126645 /nfs/dbraw/zinc/12/66/45/1098126645.db2.gz LXFKDMGOUVKQHQ-SNVBAGLBSA-N -1 3 327.417 2.806 20 30 EFEDHM CC(C)CN(Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001609095625 1098143445 /nfs/dbraw/zinc/14/34/45/1098143445.db2.gz FJTGIGJZUWSSLF-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)CN(Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001609095625 1098143446 /nfs/dbraw/zinc/14/34/46/1098143446.db2.gz FJTGIGJZUWSSLF-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)Cn1nccc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001609097556 1098143578 /nfs/dbraw/zinc/14/35/78/1098143578.db2.gz ZILPWJXYHRROCR-RIYZIHGNSA-N -1 3 334.383 2.542 20 30 EFEDHM CC(C)Cn1nccc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001609097556 1098143579 /nfs/dbraw/zinc/14/35/79/1098143579.db2.gz ZILPWJXYHRROCR-RIYZIHGNSA-N -1 3 334.383 2.542 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NO[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609116308 1098153346 /nfs/dbraw/zinc/15/33/46/1098153346.db2.gz HATDMLWGJRRDJU-AWEZNQCLSA-N -1 3 339.403 2.834 20 30 EFEDHM CC(Cn1nc(C)cc1C)=NO[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609116308 1098153347 /nfs/dbraw/zinc/15/33/47/1098153347.db2.gz HATDMLWGJRRDJU-AWEZNQCLSA-N -1 3 339.403 2.834 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001609183237 1098186314 /nfs/dbraw/zinc/18/63/14/1098186314.db2.gz YZTDNRPHTCNCQI-ZDUSSCGKSA-N -1 3 349.192 2.508 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001609183237 1098186316 /nfs/dbraw/zinc/18/63/16/1098186316.db2.gz YZTDNRPHTCNCQI-ZDUSSCGKSA-N -1 3 349.192 2.508 20 30 EFEDHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609197240 1098194677 /nfs/dbraw/zinc/19/46/77/1098194677.db2.gz USKOTDIXGPKMGO-UONOGXRCSA-N -1 3 326.404 2.744 20 30 EFEDHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609197240 1098194680 /nfs/dbraw/zinc/19/46/80/1098194680.db2.gz USKOTDIXGPKMGO-UONOGXRCSA-N -1 3 326.404 2.744 20 30 EFEDHM CCC1(CC)[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C[C@H]1OC ZINC001609197241 1098194964 /nfs/dbraw/zinc/19/49/64/1098194964.db2.gz USKOTDIXGPKMGO-ZIAGYGMSSA-N -1 3 326.404 2.744 20 30 EFEDHM CCC1(CC)[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C[C@H]1OC ZINC001609197241 1098194966 /nfs/dbraw/zinc/19/49/66/1098194966.db2.gz USKOTDIXGPKMGO-ZIAGYGMSSA-N -1 3 326.404 2.744 20 30 EFEDHM CCN(Cc1ccc(Br)cc1-c1nn[n-]n1)C[C@@H](C)C#N ZINC001609225574 1098213070 /nfs/dbraw/zinc/21/30/70/1098213070.db2.gz PZGDXHVPSLUHGT-JTQLQIEISA-N -1 3 349.236 2.611 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)C=Cc1ccccc1C#N ZINC001609250387 1098223827 /nfs/dbraw/zinc/22/38/27/1098223827.db2.gz HICJREABAHMVJX-NTMALXAHSA-N -1 3 345.362 2.920 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)C=Cc1ccccc1C#N ZINC001609250387 1098223833 /nfs/dbraw/zinc/22/38/33/1098223833.db2.gz HICJREABAHMVJX-NTMALXAHSA-N -1 3 345.362 2.920 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609251166 1098224923 /nfs/dbraw/zinc/22/49/23/1098224923.db2.gz YAHSXXHDCHVNHG-NTMALXAHSA-N -1 3 345.362 2.920 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609251166 1098224924 /nfs/dbraw/zinc/22/49/24/1098224924.db2.gz YAHSXXHDCHVNHG-NTMALXAHSA-N -1 3 345.362 2.920 20 30 EFEDHM COC(=O)c1ccccc1NN=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC001609305310 1098241248 /nfs/dbraw/zinc/24/12/48/1098241248.db2.gz CIAJLUVIAFAPAV-UHFFFAOYSA-N -1 3 342.384 2.551 20 30 EFEDHM COc1cc(C=C2Cc3cc(F)ccc3C2=O)ccc1-c1nnn[n-]1 ZINC001609340811 1098255143 /nfs/dbraw/zinc/25/51/43/1098255143.db2.gz YQDLNSNLZPSJGV-SDQBBNPISA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(C=C2Cc3cc(F)ccc3C2=O)ccc1-c1nn[n-]n1 ZINC001609340811 1098255146 /nfs/dbraw/zinc/25/51/46/1098255146.db2.gz YQDLNSNLZPSJGV-SDQBBNPISA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609346167 1098257812 /nfs/dbraw/zinc/25/78/12/1098257812.db2.gz HSUHVJIPEGOLFT-UHFFFAOYSA-N -1 3 344.325 2.990 20 30 EFEDHM COc1cc(F)ccc1NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609346167 1098257816 /nfs/dbraw/zinc/25/78/16/1098257816.db2.gz HSUHVJIPEGOLFT-UHFFFAOYSA-N -1 3 344.325 2.990 20 30 EFEDHM COc1ccc(C#N)cc1NCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001609352360 1098262368 /nfs/dbraw/zinc/26/23/68/1098262368.db2.gz ZWAZVWJDBLSDOF-UHFFFAOYSA-N -1 3 345.366 2.612 20 30 EFEDHM COc1ccc(C#N)cc1NCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001609352360 1098262372 /nfs/dbraw/zinc/26/23/72/1098262372.db2.gz ZWAZVWJDBLSDOF-UHFFFAOYSA-N -1 3 345.366 2.612 20 30 EFEDHM C[C@@]1(C#N)CC[C@H](OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC001609377073 1098273882 /nfs/dbraw/zinc/27/38/82/1098273882.db2.gz VFINVILWYXECDI-RSVKCKOMSA-N -1 3 347.325 2.774 20 30 EFEDHM C[C@@]1(C#N)CC[C@H](OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC001609377073 1098273885 /nfs/dbraw/zinc/27/38/85/1098273885.db2.gz VFINVILWYXECDI-RSVKCKOMSA-N -1 3 347.325 2.774 20 30 EFEDHM Cc1cc(OC(=O)Cc2cccc(C#N)c2)c(C)c(C)c1-c1nn[n-]n1 ZINC001609410557 1098299203 /nfs/dbraw/zinc/29/92/03/1098299203.db2.gz ZJYUPAGCDALZRS-UHFFFAOYSA-N -1 3 347.378 2.812 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccccc1C#N ZINC001609415618 1098300746 /nfs/dbraw/zinc/30/07/46/1098300746.db2.gz BSHQTPBCAPONOS-HJWRWDBZSA-N -1 3 330.351 2.699 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccccc1C#N ZINC001609415618 1098300754 /nfs/dbraw/zinc/30/07/54/1098300754.db2.gz BSHQTPBCAPONOS-HJWRWDBZSA-N -1 3 330.351 2.699 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NCCCC1(C#N)CCOCC1 ZINC001609416409 1098303498 /nfs/dbraw/zinc/30/34/98/1098303498.db2.gz DUXRGFPSYPJREF-UHFFFAOYSA-N -1 3 326.404 2.688 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NCCCC1(C#N)CCOCC1 ZINC001609416409 1098303506 /nfs/dbraw/zinc/30/35/06/1098303506.db2.gz DUXRGFPSYPJREF-UHFFFAOYSA-N -1 3 326.404 2.688 20 30 EFEDHM Cc1cc(CSc2nc(C)nc(C)c2C#N)ccc1-c1nnn[n-]1 ZINC001609448702 1098327517 /nfs/dbraw/zinc/32/75/17/1098327517.db2.gz AJCMDMPASZMYTC-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(CSc2nc(C)nc(C)c2C#N)ccc1-c1nn[n-]n1 ZINC001609448702 1098327523 /nfs/dbraw/zinc/32/75/23/1098327523.db2.gz AJCMDMPASZMYTC-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001609468835 1098340636 /nfs/dbraw/zinc/34/06/36/1098340636.db2.gz ISTZZVUIMQUYDW-UHFFFAOYSA-N -1 3 343.730 2.650 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001609468835 1098340640 /nfs/dbraw/zinc/34/06/40/1098340640.db2.gz ISTZZVUIMQUYDW-UHFFFAOYSA-N -1 3 343.730 2.650 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCC3(CCCO3)CC2)n1 ZINC001609472138 1098343442 /nfs/dbraw/zinc/34/34/42/1098343442.db2.gz PEENPQWORZHDHU-UHFFFAOYSA-N -1 3 347.810 2.806 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCC3(CCCO3)CC2)n1 ZINC001609472138 1098343452 /nfs/dbraw/zinc/34/34/52/1098343452.db2.gz PEENPQWORZHDHU-UHFFFAOYSA-N -1 3 347.810 2.806 20 30 EFEDHM N#CCCCOc1cccnc1NCc1ccc(-c2nnn[n-]2)s1 ZINC001609495343 1098359846 /nfs/dbraw/zinc/35/98/46/1098359846.db2.gz DZYRSBCCOYDWMX-UHFFFAOYSA-N -1 3 341.400 2.618 20 30 EFEDHM N#C[C@@H]1CC[C@@H](Nc2ccc(OC(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001609495254 1098359976 /nfs/dbraw/zinc/35/99/76/1098359976.db2.gz YVHUBOGRNANVEZ-RKDXNWHRSA-N -1 3 338.293 2.869 20 30 EFEDHM N#C[C@@H]1CC[C@@H](Nc2ccc(OC(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001609495254 1098359983 /nfs/dbraw/zinc/35/99/83/1098359983.db2.gz YVHUBOGRNANVEZ-RKDXNWHRSA-N -1 3 338.293 2.869 20 30 EFEDHM N#CC[C@@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001609495132 1098360445 /nfs/dbraw/zinc/36/04/45/1098360445.db2.gz VSWWVKHLCZOJNP-INIZCTEOSA-N -1 3 346.394 2.570 20 30 EFEDHM N#CC[C@@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609495132 1098360451 /nfs/dbraw/zinc/36/04/51/1098360451.db2.gz VSWWVKHLCZOJNP-INIZCTEOSA-N -1 3 346.394 2.570 20 30 EFEDHM N#CC1(C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)CCCCC1 ZINC001609493522 1098361070 /nfs/dbraw/zinc/36/10/70/1098361070.db2.gz KSNXZXCBVGIRRT-UHFFFAOYSA-N -1 3 329.335 2.523 20 30 EFEDHM N#CC1(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)CCCCC1 ZINC001609493522 1098361079 /nfs/dbraw/zinc/36/10/79/1098361079.db2.gz KSNXZXCBVGIRRT-UHFFFAOYSA-N -1 3 329.335 2.523 20 30 EFEDHM N#CCn1c(C=Cc2cccc(-c3nnn[n-]3)c2)nc2ccccc21 ZINC001609496450 1098362390 /nfs/dbraw/zinc/36/23/90/1098362390.db2.gz NBCOUMJCKJVRKJ-CMDGGOBGSA-N -1 3 327.351 2.910 20 30 EFEDHM N#CCn1c(C=Cc2cccc(-c3nn[n-]n3)c2)nc2ccccc21 ZINC001609496450 1098362395 /nfs/dbraw/zinc/36/23/95/1098362395.db2.gz NBCOUMJCKJVRKJ-CMDGGOBGSA-N -1 3 327.351 2.910 20 30 EFEDHM N#Cc1c(CSc2ccc(-c3nnn[n-]3)cn2)cn2ccccc12 ZINC001609496900 1098362409 /nfs/dbraw/zinc/36/24/09/1098362409.db2.gz MPJVHIAMPQJLDZ-UHFFFAOYSA-N -1 3 333.380 2.678 20 30 EFEDHM N#Cc1c(CSc2ccc(-c3nn[n-]n3)cn2)cn2ccccc12 ZINC001609496900 1098362414 /nfs/dbraw/zinc/36/24/14/1098362414.db2.gz MPJVHIAMPQJLDZ-UHFFFAOYSA-N -1 3 333.380 2.678 20 30 EFEDHM N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609499209 1098362689 /nfs/dbraw/zinc/36/26/89/1098362689.db2.gz ZRXSSYSUIOZYHZ-UHFFFAOYSA-N -1 3 345.366 2.565 20 30 EFEDHM N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609499209 1098362696 /nfs/dbraw/zinc/36/26/96/1098362696.db2.gz ZRXSSYSUIOZYHZ-UHFFFAOYSA-N -1 3 345.366 2.565 20 30 EFEDHM N#Cc1ccc(C(=O)COc2cc(Cl)cc(-c3nnn[n-]3)c2)cc1 ZINC001609498360 1098362818 /nfs/dbraw/zinc/36/28/18/1098362818.db2.gz ASQVKJCMMMEQKC-UHFFFAOYSA-N -1 3 339.742 2.653 20 30 EFEDHM N#Cc1ccc(C(=O)COc2cc(Cl)cc(-c3nn[n-]n3)c2)cc1 ZINC001609498360 1098362823 /nfs/dbraw/zinc/36/28/23/1098362823.db2.gz ASQVKJCMMMEQKC-UHFFFAOYSA-N -1 3 339.742 2.653 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001609499976 1098363623 /nfs/dbraw/zinc/36/36/23/1098363623.db2.gz SIACIVHDCQHPOD-MRXNPFEDSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](Nc2ccccc2)C1 ZINC001609499976 1098363629 /nfs/dbraw/zinc/36/36/29/1098363629.db2.gz SIACIVHDCQHPOD-MRXNPFEDSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1SCc1ccc2c(c1)OCO2 ZINC001609499634 1098364191 /nfs/dbraw/zinc/36/41/91/1098364191.db2.gz BVWGBORNZXTHCI-UHFFFAOYSA-N -1 3 337.364 2.759 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1SCc1ccc2c(c1)OCO2 ZINC001609499634 1098364198 /nfs/dbraw/zinc/36/41/98/1098364198.db2.gz BVWGBORNZXTHCI-UHFFFAOYSA-N -1 3 337.364 2.759 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](c2ccccc2F)C1 ZINC001609499432 1098364362 /nfs/dbraw/zinc/36/43/62/1098364362.db2.gz PMJYJSOMMGPFGS-ZDUSSCGKSA-N -1 3 334.358 2.871 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](c2ccccc2F)C1 ZINC001609499432 1098364367 /nfs/dbraw/zinc/36/43/67/1098364367.db2.gz PMJYJSOMMGPFGS-ZDUSSCGKSA-N -1 3 334.358 2.871 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](c2ccccc2F)C1 ZINC001609499431 1098364641 /nfs/dbraw/zinc/36/46/41/1098364641.db2.gz PMJYJSOMMGPFGS-CYBMUJFWSA-N -1 3 334.358 2.871 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](c2ccccc2F)C1 ZINC001609499431 1098364647 /nfs/dbraw/zinc/36/46/47/1098364647.db2.gz PMJYJSOMMGPFGS-CYBMUJFWSA-N -1 3 334.358 2.871 20 30 EFEDHM N#Cc1ccc(OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC001609499422 1098364662 /nfs/dbraw/zinc/36/46/62/1098364662.db2.gz OLZUXXGUQBUWHH-UHFFFAOYSA-N -1 3 339.742 2.653 20 30 EFEDHM N#Cc1ccc(OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001609499422 1098364670 /nfs/dbraw/zinc/36/46/70/1098364670.db2.gz OLZUXXGUQBUWHH-UHFFFAOYSA-N -1 3 339.742 2.653 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccccc2)c1 ZINC001609517547 1098365457 /nfs/dbraw/zinc/36/54/57/1098365457.db2.gz CKDYCOCRXDQZBW-KTKRTIGZSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2ccccc2)c1 ZINC001609517547 1098365465 /nfs/dbraw/zinc/36/54/65/1098365465.db2.gz CKDYCOCRXDQZBW-KTKRTIGZSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc([N+](=O)[O-])ccc1F ZINC001609517731 1098365579 /nfs/dbraw/zinc/36/55/79/1098365579.db2.gz LCVNGXQSORDLGM-DUXPYHPUSA-N -1 3 345.315 2.872 20 30 EFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc([N+](=O)[O-])ccc1F ZINC001609517731 1098365585 /nfs/dbraw/zinc/36/55/85/1098365585.db2.gz LCVNGXQSORDLGM-DUXPYHPUSA-N -1 3 345.315 2.872 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccc(Cl)nc1 ZINC001609517489 1098366329 /nfs/dbraw/zinc/36/63/29/1098366329.db2.gz AAOUVOGCHJKTNT-GQCTYLIASA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccc(Cl)nc1 ZINC001609517489 1098366337 /nfs/dbraw/zinc/36/63/37/1098366337.db2.gz AAOUVOGCHJKTNT-GQCTYLIASA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccnn1-c1ccccc1 ZINC001609519860 1098368402 /nfs/dbraw/zinc/36/84/02/1098368402.db2.gz QXEJRLYVENOCCJ-ZHACJKMWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccnn1-c1ccccc1 ZINC001609519860 1098368407 /nfs/dbraw/zinc/36/84/07/1098368407.db2.gz QXEJRLYVENOCCJ-ZHACJKMWSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(OCC#Cc1cccc(Cl)c1)c1cscc1-c1nnn[n-]1 ZINC001609573627 1098385888 /nfs/dbraw/zinc/38/58/88/1098385888.db2.gz ILYSDEYLNVGEPY-UHFFFAOYSA-N -1 3 344.783 2.790 20 30 EFEDHM O=C(OCC#Cc1cccc(Cl)c1)c1cscc1-c1nn[n-]n1 ZINC001609573627 1098385894 /nfs/dbraw/zinc/38/58/94/1098385894.db2.gz ILYSDEYLNVGEPY-UHFFFAOYSA-N -1 3 344.783 2.790 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC001609774135 1098453416 /nfs/dbraw/zinc/45/34/16/1098453416.db2.gz JPTOQMFTUDFCRU-PCJQFBCGSA-N -1 3 342.420 2.772 20 30 EFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(C)cc1[O-] ZINC001269951917 1098542442 /nfs/dbraw/zinc/54/24/42/1098542442.db2.gz POMVHDPFFCXFBF-FQEVSTJZSA-N -1 3 342.439 2.874 20 30 EFEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1C#N ZINC001610336649 1098627254 /nfs/dbraw/zinc/62/72/54/1098627254.db2.gz XZYCUEFGTKFQBN-QGZVFWFLSA-N -1 3 328.343 2.930 20 30 EFEDHM N#CCCCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)c1 ZINC001610621443 1098787967 /nfs/dbraw/zinc/78/79/67/1098787967.db2.gz JMWCBZIBZHBERA-SFHVURJKSA-N -1 3 340.379 2.990 20 30 EFEDHM N#Cc1c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cccc1C(=O)[O-] ZINC001610623221 1098790135 /nfs/dbraw/zinc/79/01/35/1098790135.db2.gz KRCCRSZLQSVRON-OIISXLGYSA-N -1 3 326.396 2.694 20 30 EFEDHM O=C(c1ccccc1[O-])N1CC[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC001075562868 1099298413 /nfs/dbraw/zinc/29/84/13/1099298413.db2.gz BIADSGUTFRDRGY-AZUAARDMSA-N -1 3 346.430 2.590 20 30 EFEDHM N#Cc1ccccc1CN1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001075564380 1099330656 /nfs/dbraw/zinc/33/06/56/1099330656.db2.gz PZSONFXJDYDGKM-PKOBYXMFSA-N -1 3 347.418 2.610 20 30 EFEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1c(C)cccc1[O-] ZINC001633533855 1100548815 /nfs/dbraw/zinc/54/88/15/1100548815.db2.gz LEAHAKVVYVJDAK-UHFFFAOYSA-N -1 3 333.351 2.714 20 30 EFEDHM CC(C)CN(CCC#N)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001625794909 1101346971 /nfs/dbraw/zinc/34/69/71/1101346971.db2.gz XLWQKZIOTZUYPD-UHFFFAOYSA-N -1 3 333.338 2.818 20 30 EFEDHM CCN(C)c1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000748075071 1101427950 /nfs/dbraw/zinc/42/79/50/1101427950.db2.gz FPUOKOZHHFXTTJ-UHFFFAOYSA-N -1 3 345.468 2.986 20 30 EFEDHM C=CCN1c2ccccc2[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1=O ZINC001271421044 1101571015 /nfs/dbraw/zinc/57/10/15/1101571015.db2.gz DYXZHVQYFQONTI-NRFANRHFSA-N -1 3 348.402 2.709 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@@H]1CCCCO1 ZINC000784960294 1102085843 /nfs/dbraw/zinc/08/58/43/1102085843.db2.gz XDMBSWMATDUMGM-AWEZNQCLSA-N -1 3 332.400 2.711 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@H]1CCCCO1 ZINC000784960296 1102086939 /nfs/dbraw/zinc/08/69/39/1102086939.db2.gz XDMBSWMATDUMGM-CQSZACIVSA-N -1 3 332.400 2.711 20 30 EFEDHM COc1cc(C=NOC(C)C)cc(I)c1[O-] ZINC000835004442 1102545084 /nfs/dbraw/zinc/54/50/84/1102545084.db2.gz OGPWHZYDDYIAHN-UHFFFAOYSA-N -1 3 335.141 2.764 20 30 EFEDHM CCC(=NN(C)C(=S)NC)c1cc(Br)ccc1[O-] ZINC000841648534 1104263630 /nfs/dbraw/zinc/26/36/30/1104263630.db2.gz MPQAMYJUWCJWCF-UHFFFAOYSA-N -1 3 330.251 2.705 20 30 EFEDHM N#Cc1cccnc1NC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001059995253 1106535987 /nfs/dbraw/zinc/53/59/87/1106535987.db2.gz WWRWSUZWCCYODH-AWEZNQCLSA-N -1 3 336.395 2.623 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060172365 1107184338 /nfs/dbraw/zinc/18/43/38/1107184338.db2.gz FCSNJQCDMZQZMN-HZPDHXFCSA-N -1 3 344.455 2.963 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc(CC)ccc3[O-])C2)C1=O ZINC001272210178 1107315056 /nfs/dbraw/zinc/31/50/56/1107315056.db2.gz CHRXSTFENHTEKT-FQEVSTJZSA-N -1 3 342.439 2.595 20 30 EFEDHM CC(C)C[C@H](C(N)=O)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181274 1107675206 /nfs/dbraw/zinc/67/52/06/1107675206.db2.gz SEIYGILPQQSFJD-GFCCVEGCSA-N -1 3 333.215 2.859 20 30 EFEDHM C=CCC(CC=C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904183795 1107677851 /nfs/dbraw/zinc/67/78/51/1107677851.db2.gz AHUZSGBPPRYUIB-UHFFFAOYSA-N -1 3 342.395 2.659 20 30 EFEDHM O=C([C@H]1CCCN(C(=O)C2CC2)C1)N([O-])Cc1ccccc1Cl ZINC000904187398 1107681048 /nfs/dbraw/zinc/68/10/48/1107681048.db2.gz LEZSSLIPGCBFMK-AWEZNQCLSA-N -1 3 336.819 2.706 20 30 EFEDHM CC(=O)N1CCC(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC000904170035 1107687076 /nfs/dbraw/zinc/68/70/76/1107687076.db2.gz CZVVUVFANMTQFH-UHFFFAOYSA-N -1 3 326.396 2.816 20 30 EFEDHM CCC(=O)N1CC[C@@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904171489 1107687312 /nfs/dbraw/zinc/68/73/12/1107687312.db2.gz OABVEEVIDSRYOO-MRXNPFEDSA-N -1 3 326.396 2.816 20 30 EFEDHM O=C(c1cc(F)ccc1N1CCOCC1)N([O-])Cc1ccc(F)cc1 ZINC000904173258 1107689521 /nfs/dbraw/zinc/68/95/21/1107689521.db2.gz HYEVFXGNGMFKRR-UHFFFAOYSA-N -1 3 348.349 2.833 20 30 EFEDHM O=C(c1ccccc1)N1CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904175892 1107691740 /nfs/dbraw/zinc/69/17/40/1107691740.db2.gz YOWWVDVIIMODCP-KRWDZBQOSA-N -1 3 342.370 2.848 20 30 EFEDHM O=C(C[C@@H](n1cccn1)C(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000904177690 1107693704 /nfs/dbraw/zinc/69/37/04/1107693704.db2.gz LTKKRXVHYVYABC-GFCCVEGCSA-N -1 3 331.269 2.934 20 30 EFEDHM CCCCN([O-])C(=O)CCN1C(=S)N=NC1c1cccs1 ZINC000904208070 1107697226 /nfs/dbraw/zinc/69/72/26/1107697226.db2.gz NPWBRCLFAAJFGZ-UHFFFAOYSA-N -1 3 326.447 2.703 20 30 EFEDHM CCCCN([O-])C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C ZINC000904208593 1107699452 /nfs/dbraw/zinc/69/94/52/1107699452.db2.gz BRPVPXZFERXZQZ-UHFFFAOYSA-N -1 3 334.420 2.544 20 30 EFEDHM Cc1sc(=O)n(CCC(=O)N([O-])Cc2ccccc2Cl)c1C ZINC000904188886 1107702104 /nfs/dbraw/zinc/70/21/04/1107702104.db2.gz ROFOYJSTNXPLSY-UHFFFAOYSA-N -1 3 340.832 2.988 20 30 EFEDHM Cc1nc(NC(=O)c2cc3c(cc2[O-])OCO3)sc1SCC#N ZINC000436612539 1107932131 /nfs/dbraw/zinc/93/21/31/1107932131.db2.gz QQIDTFZQEFMRHW-UHFFFAOYSA-N -1 3 349.393 2.754 20 30 EFEDHM Cc1nc(N[C@@H](C)C[C@H](C)NC(=O)c2ccccc2[O-])ccc1C#N ZINC001089244007 1108165697 /nfs/dbraw/zinc/16/56/97/1108165697.db2.gz LTGOPQGJLBCUHS-STQMWFEESA-N -1 3 338.411 2.976 20 30 EFEDHM C[C@H](C[C@@H](C)Nc1ncc(C#N)cc1F)NC(=O)c1ccccc1[O-] ZINC001089244919 1108169012 /nfs/dbraw/zinc/16/90/12/1108169012.db2.gz SZWHMHBFJUWKHF-VXGBXAGGSA-N -1 3 342.374 2.807 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000916938327 1112001849 /nfs/dbraw/zinc/00/18/49/1112001849.db2.gz JSAPOVPGBVVAPM-NSHDSACASA-N -1 3 347.733 2.844 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919328929 1112223550 /nfs/dbraw/zinc/22/35/50/1112223550.db2.gz IURBHFYYQJFKLT-ZDUSSCGKSA-N -1 3 345.399 2.948 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919328929 1112223551 /nfs/dbraw/zinc/22/35/51/1112223551.db2.gz IURBHFYYQJFKLT-ZDUSSCGKSA-N -1 3 345.399 2.948 20 30 EFEDHM COCCOC(=O)Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000920387782 1112339879 /nfs/dbraw/zinc/33/98/79/1112339879.db2.gz UDDXTAFXQSYOJH-UHFFFAOYSA-N -1 3 346.339 2.749 20 30 EFEDHM N#Cc1cnccc1N1CC=C(CCNC(=O)c2ccccc2[O-])CC1 ZINC001089812376 1113111130 /nfs/dbraw/zinc/11/11/30/1113111130.db2.gz SWLWEZNMFCHPFD-UHFFFAOYSA-N -1 3 348.406 2.615 20 30 EFEDHM C=CCC1(C(=O)N(CC)CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001106939005 1118628664 /nfs/dbraw/zinc/62/86/64/1118628664.db2.gz HVXTXRVEYAUESJ-UHFFFAOYSA-N -1 3 348.403 2.702 20 30 EFEDHM C#CCN1CC2(CCC1=O)CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001272724560 1119496549 /nfs/dbraw/zinc/49/65/49/1119496549.db2.gz LHDHOMMQEIUJMZ-UHFFFAOYSA-N -1 3 348.393 2.508 20 30 EFEDHM C#CCN1CC[C@@]2(CCCN(Cc3ccc([O-])c(F)c3F)CC2)C1=O ZINC001272725100 1119535523 /nfs/dbraw/zinc/53/55/23/1119535523.db2.gz UOMOSWJPPBSDIU-IBGZPJMESA-N -1 3 348.393 2.508 20 30 EFEDHM N#Cc1c(F)cccc1NC/C=C\CNC(=O)c1ccccc1[O-] ZINC001107047030 1120095714 /nfs/dbraw/zinc/09/57/14/1120095714.db2.gz LBXWTEDAOFMEEN-ARJAWSKDSA-N -1 3 325.343 2.801 20 30 EFEDHM O=C1c2cccc([O-])c2C/C1=C\c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000063428483 1120392549 /nfs/dbraw/zinc/39/25/49/1120392549.db2.gz NBJJTTMTVFJMGT-IZZDOVSWSA-N -1 3 339.303 2.894 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@@H]2C)C1 ZINC000945186945 1120658785 /nfs/dbraw/zinc/65/87/85/1120658785.db2.gz OPSQUGNKPLAIJL-HOCLYGCPSA-N -1 3 342.439 2.715 20 30 EFEDHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000055659454 214336935 /nfs/dbraw/zinc/33/69/35/214336935.db2.gz DTYWLPFTDQXHJA-IBGZPJMESA-N -1 3 349.434 2.908 20 30 EFEDHM C[C@H](c1ccc(C#N)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000174612475 231257065 /nfs/dbraw/zinc/25/70/65/231257065.db2.gz XXYKZARHGFGUCH-OAHLLOKOSA-N -1 3 335.407 2.783 20 30 EFEDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)cs1 ZINC000157477482 529746711 /nfs/dbraw/zinc/74/67/11/529746711.db2.gz IUAMHGUBPVKSCB-VIFPVBQESA-N -1 3 339.417 2.756 20 30 EFEDHM Cn1cnc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2CC3)n1 ZINC000361605575 282770365 /nfs/dbraw/zinc/77/03/65/282770365.db2.gz AJZULSMMEWQGKS-UHFFFAOYSA-N -1 3 335.392 2.766 20 30 EFEDHM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1cnc2ccccc2n1 ZINC000361526041 283055968 /nfs/dbraw/zinc/05/59/68/283055968.db2.gz OYSGTLKPTTWIDU-CYBMUJFWSA-N -1 3 331.335 2.610 20 30 EFEDHM N#Cc1cccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000129156858 223028422 /nfs/dbraw/zinc/02/84/22/223028422.db2.gz BWHQQKPCLPEUHN-ZDUSSCGKSA-N -1 3 332.347 2.958 20 30 EFEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)Cc2cccc(C#N)c2)n1 ZINC000108400538 219857164 /nfs/dbraw/zinc/85/71/64/219857164.db2.gz LQOBURXDOLEGEO-UHFFFAOYSA-N -1 3 349.481 2.932 20 30 EFEDHM N#C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C1CCCCC1 ZINC000161119985 239064697 /nfs/dbraw/zinc/06/46/97/239064697.db2.gz KJKLQQWFVBZNOY-ZDUSSCGKSA-N -1 3 332.347 2.855 20 30 EFEDHM N#C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Br)c1 ZINC000162396732 239091051 /nfs/dbraw/zinc/09/10/51/239091051.db2.gz HOLYPBVKOFGDIX-ZDUSSCGKSA-N -1 3 347.168 2.855 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2F)c(Cl)c1 ZINC000183411145 239552625 /nfs/dbraw/zinc/55/26/25/239552625.db2.gz CBUANHOLMPNTTO-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#C[C@H]1CN(Cc2cc([O-])cc(F)c2)CCN1Cc1ccccc1 ZINC000186154575 239636697 /nfs/dbraw/zinc/63/66/97/239636697.db2.gz IIXJWDOGTWSKRJ-SFHVURJKSA-N -1 3 325.387 2.741 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]1c1ccccc1 ZINC000075119909 216562110 /nfs/dbraw/zinc/56/21/10/216562110.db2.gz PZBIRDLVKWUXLP-SFHVURJKSA-N -1 3 335.407 2.770 20 30 EFEDHM Cc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000193193501 240053222 /nfs/dbraw/zinc/05/32/22/240053222.db2.gz SNKTYWIAMWFSOJ-UHFFFAOYSA-N -1 3 328.343 2.849 20 30 EFEDHM Cc1cccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1[O-] ZINC000192935574 240074219 /nfs/dbraw/zinc/07/42/19/240074219.db2.gz LAXMKNFJQNMMFK-GOSISDBHSA-N -1 3 335.407 2.723 20 30 EFEDHM CC(C)Oc1cccc([C@H](O)C/N=C/c2ccc(O)c([O-])c2O)c1 ZINC000265251645 240458217 /nfs/dbraw/zinc/45/82/17/240458217.db2.gz IEXPILIGHKSWSM-LEKRSAHOSA-N -1 3 331.368 2.743 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(NC(=O)C(C)C)cc2)c1[O-] ZINC000298119983 241141468 /nfs/dbraw/zinc/14/14/68/241141468.db2.gz SDKPRSBCMNYUIX-KEBDBYFISA-N -1 3 341.411 2.802 20 30 EFEDHM CC(=O)Nc1cccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000298330824 241148480 /nfs/dbraw/zinc/14/84/80/241148480.db2.gz YVABLAVKTZLZKY-QQZXWGPFSA-N -1 3 327.384 2.726 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H](C)COCc2ccccc2)c1[O-] ZINC000299175095 241169592 /nfs/dbraw/zinc/16/95/92/241169592.db2.gz WHVBUCPYOLBEBI-ANKPHQHTSA-N -1 3 328.412 2.860 20 30 EFEDHM N#C[C@H]1CSCCN1C(=O)CCc1ccc2ccccc2c1[O-] ZINC000297566862 241126213 /nfs/dbraw/zinc/12/62/13/241126213.db2.gz RVECUOZYTVHDHG-HNNXBMFYSA-N -1 3 326.421 2.946 20 30 EFEDHM O=C(C[C@H]1CCOC1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000328705989 241224284 /nfs/dbraw/zinc/22/42/84/241224284.db2.gz YXCOUYFNWLRLQI-CYBMUJFWSA-N -1 3 332.400 2.645 20 30 EFEDHM Cn1nccc1[C@H]1[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CC(=O)N1C ZINC000328961543 241275949 /nfs/dbraw/zinc/27/59/49/241275949.db2.gz QDPHXVSXSSYTGD-MEBBXXQBSA-N -1 3 348.790 2.587 20 30 EFEDHM CCCSc1nc(=NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)s[n-]1 ZINC000329448308 241372987 /nfs/dbraw/zinc/37/29/87/241372987.db2.gz OHJCIMODUOXXCH-WDEREUQCSA-N -1 3 341.506 2.612 20 30 EFEDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](C#N)C3CCCCC3)cn21 ZINC000333214544 241649693 /nfs/dbraw/zinc/64/96/93/241649693.db2.gz VDLSIRPDSRQLSQ-JSGCOSHPSA-N -1 3 336.461 2.531 20 30 EFEDHM C[C@H](Sc1ccccc1C([O-])=C(C#N)c1ccccn1)C(N)=O ZINC000338628544 241745375 /nfs/dbraw/zinc/74/53/75/241745375.db2.gz VFYJARZWCXQEMG-AAEUAGOBSA-N -1 3 325.393 2.538 20 30 EFEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1Cc1ccccn1 ZINC000354475860 242001725 /nfs/dbraw/zinc/00/17/25/242001725.db2.gz RWHLNSHEOAJOGZ-QGZVFWFLSA-N -1 3 331.379 2.828 20 30 EFEDHM N#CCCCOc1cccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000355555774 242039543 /nfs/dbraw/zinc/03/95/43/242039543.db2.gz MSEJINXXHGYLDX-UHFFFAOYSA-N -1 3 349.346 2.505 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c(F)c1 ZINC000358798651 242134424 /nfs/dbraw/zinc/13/44/24/242134424.db2.gz KIWZVMUPQZEUOB-CQSZACIVSA-N -1 3 326.393 2.585 20 30 EFEDHM C=CCN(C(=O)c1cccc([O-])c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000357366265 242094762 /nfs/dbraw/zinc/09/47/62/242094762.db2.gz ZPJXONVZZMLUPZ-AWEZNQCLSA-N -1 3 349.394 2.757 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000360103946 242186527 /nfs/dbraw/zinc/18/65/27/242186527.db2.gz YBUNSYLLZBXYEW-LLVKDONJSA-N -1 3 339.392 2.741 20 30 EFEDHM COCC1CCC(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000412689383 243385054 /nfs/dbraw/zinc/38/50/54/243385054.db2.gz XRZFQUHTUQMYGH-UHFFFAOYSA-N -1 3 345.443 2.530 20 30 EFEDHM CCCc1cnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)s1 ZINC000180254619 284113237 /nfs/dbraw/zinc/11/32/37/284113237.db2.gz VBVCSIKBMZLCNA-UHFFFAOYSA-N -1 3 344.440 2.844 20 30 EFEDHM O=C(CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)Nc1nc2c(s1)CCC2 ZINC000330070092 304147889 /nfs/dbraw/zinc/14/78/89/304147889.db2.gz WTDOKBWXHTXCNL-WXHSDQCUSA-N -1 3 349.456 2.938 20 30 EFEDHM N#Cc1c(NCc2cc([O-])ccc2Br)n[nH]c1C1CC1 ZINC000419773451 245475102 /nfs/dbraw/zinc/47/51/02/245475102.db2.gz HLDQVMATXDAVQG-UHFFFAOYSA-N -1 3 333.189 2.661 20 30 EFEDHM N#Cc1c2c(cnc1NCc1ccc([O-])c(Br)c1)CCC2 ZINC000425238552 247010548 /nfs/dbraw/zinc/01/05/48/247010548.db2.gz MRCXIZPFVQYZPZ-UHFFFAOYSA-N -1 3 344.212 2.944 20 30 EFEDHM N#Cc1cccc(CS(=O)(=O)[N-]C2(c3nccs3)CCCC2)c1 ZINC000265211725 247302333 /nfs/dbraw/zinc/30/23/33/247302333.db2.gz DQOSWNAPGSDSQZ-UHFFFAOYSA-N -1 3 347.465 2.904 20 30 EFEDHM Cc1ncc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)cc1C#N ZINC000427785758 247393787 /nfs/dbraw/zinc/39/37/87/247393787.db2.gz FHMSAKUNLVCPQI-UHFFFAOYSA-N -1 3 329.372 2.508 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C(C)(C)CC)ccc1F ZINC000265412809 247482989 /nfs/dbraw/zinc/48/29/89/247482989.db2.gz NEEMIEZXADLUNG-UHFFFAOYSA-N -1 3 342.436 2.551 20 30 EFEDHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C2CC2)n1 ZINC000435430223 248239938 /nfs/dbraw/zinc/23/99/38/248239938.db2.gz ZILBMBZFNFLURK-GFCCVEGCSA-N -1 3 339.467 2.814 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nccc3ccccc32)s1 ZINC000435432599 248240568 /nfs/dbraw/zinc/24/05/68/248240568.db2.gz JMBNSIOFUZQULT-UHFFFAOYSA-N -1 3 329.406 2.646 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1cccc(F)c1 ZINC000435439168 248242053 /nfs/dbraw/zinc/24/20/53/248242053.db2.gz SWRXZRVYIPBBMP-SNVBAGLBSA-N -1 3 340.401 2.505 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)s1 ZINC000435443870 248243180 /nfs/dbraw/zinc/24/31/80/248243180.db2.gz SYEVKTNLJZQILX-UHFFFAOYSA-N -1 3 344.364 2.700 20 30 EFEDHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435605330 249384882 /nfs/dbraw/zinc/38/48/82/249384882.db2.gz HQQXPCGWSKMRCI-UHFFFAOYSA-N -1 3 338.479 2.863 20 30 EFEDHM C=CCN(CC=C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)C ZINC000441874389 250057214 /nfs/dbraw/zinc/05/72/14/250057214.db2.gz ZQTXZWIWSAZETB-MRXNPFEDSA-N -1 3 347.415 2.729 20 30 EFEDHM CC(C)N1CCc2nc(NC(=O)c3ccc(C#N)c([O-])c3)sc2C1 ZINC000442670316 250097833 /nfs/dbraw/zinc/09/78/33/250097833.db2.gz IZYNTQQHKVKYAU-UHFFFAOYSA-N -1 3 342.424 2.739 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cccc(F)c1 ZINC000009689995 211115050 /nfs/dbraw/zinc/11/50/50/211115050.db2.gz CZAOODBZFSAIIY-UHFFFAOYSA-N -1 3 341.386 2.594 20 30 EFEDHM Cc1ccc(OCCC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000443055132 250153635 /nfs/dbraw/zinc/15/36/35/250153635.db2.gz YJJIGZLILWPKFF-UHFFFAOYSA-N -1 3 348.399 2.753 20 30 EFEDHM CCCCOCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443085079 250158864 /nfs/dbraw/zinc/15/88/64/250158864.db2.gz IYGZNVWOGRIUPH-UHFFFAOYSA-N -1 3 330.837 2.697 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)s1 ZINC000443088961 250160583 /nfs/dbraw/zinc/16/05/83/250160583.db2.gz CIIVXDPLKBKPHX-UHFFFAOYSA-N -1 3 331.422 2.622 20 30 EFEDHM COc1ccccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443097317 250160700 /nfs/dbraw/zinc/16/07/00/250160700.db2.gz LLTRLBNNTYFCOV-UHFFFAOYSA-N -1 3 336.800 2.699 20 30 EFEDHM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443272615 250178717 /nfs/dbraw/zinc/17/87/17/250178717.db2.gz KZPLJHDKLJIGBY-UHFFFAOYSA-N -1 3 344.864 2.821 20 30 EFEDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(C#N)c(C)c2)o1 ZINC000443912792 250234797 /nfs/dbraw/zinc/23/47/97/250234797.db2.gz GDKVHDWLZLWEJE-MRXNPFEDSA-N -1 3 348.424 2.688 20 30 EFEDHM C=CC[C@@H]1N(C(=O)c2cnc3c(cnn3C)c2[O-])CCCC1(C)C ZINC000444637444 250321070 /nfs/dbraw/zinc/32/10/70/250321070.db2.gz QSWBJMNUNSCBLP-AWEZNQCLSA-N -1 3 328.416 2.881 20 30 EFEDHM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000451740696 251672388 /nfs/dbraw/zinc/67/23/88/251672388.db2.gz MLKHSVSEFUAOTI-LBPRGKRZSA-N -1 3 337.401 2.880 20 30 EFEDHM COCC1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCC1 ZINC000292884077 269726086 /nfs/dbraw/zinc/72/60/86/269726086.db2.gz UKVNIOGGZMCKQG-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM C=C(C)[C@@H](CC(=O)N=c1nc(-c2ccccc2Cl)[n-]n1C)OCC ZINC000365781196 533538221 /nfs/dbraw/zinc/53/82/21/533538221.db2.gz JPCYBGJSLNOOHA-CQSZACIVSA-N -1 3 348.834 2.867 20 30 EFEDHM Cc1csc([N-]C(=O)c2csc(S(C)(=O)=O)c2)c1C#N ZINC000344885050 142092402 /nfs/dbraw/zinc/09/24/02/142092402.db2.gz BJAAKIAAQFADQY-UHFFFAOYSA-N -1 3 326.424 2.646 20 30 EFEDHM N#Cc1cscc1C(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000349616179 142340943 /nfs/dbraw/zinc/34/09/43/142340943.db2.gz WXWZXXGXGLUGCF-UHFFFAOYSA-N -1 3 347.197 2.704 20 30 EFEDHM N#Cc1cncc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000352276274 142458634 /nfs/dbraw/zinc/45/86/34/142458634.db2.gz SLNYBNUYUJWDOZ-YPMHNXCESA-N -1 3 347.362 2.600 20 30 EFEDHM N#Cc1ccnc(NCCCNC(=O)c2cccc([O-])c2)c1Cl ZINC000342088886 145059926 /nfs/dbraw/zinc/05/99/26/145059926.db2.gz BCYIJMSKFKTBTO-UHFFFAOYSA-N -1 3 330.775 2.544 20 30 EFEDHM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000343944255 145330083 /nfs/dbraw/zinc/33/00/83/145330083.db2.gz VVMKLEOPVICCHQ-VXGBXAGGSA-N -1 3 342.848 2.695 20 30 EFEDHM CCC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000344188894 145387595 /nfs/dbraw/zinc/38/75/95/145387595.db2.gz LJOFDHSFEGGOHT-UHFFFAOYSA-N -1 3 343.246 2.789 20 30 EFEDHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000344187578 145387766 /nfs/dbraw/zinc/38/77/66/145387766.db2.gz HYZBHKPSJUJVRK-UHFFFAOYSA-N -1 3 342.323 2.540 20 30 EFEDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c(OC(C)C)c1 ZINC000344191390 145388269 /nfs/dbraw/zinc/38/82/69/145388269.db2.gz VAAVPCXKUIOJAJ-UHFFFAOYSA-N -1 3 334.397 2.725 20 30 EFEDHM N#Cc1ccc(NC2CC2)c(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000355633025 147018037 /nfs/dbraw/zinc/01/80/37/147018037.db2.gz YATAKINIOLOUGC-UHFFFAOYSA-N -1 3 336.330 2.795 20 30 EFEDHM N#Cc1ccc(NC2CC2)c(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000355633025 147018040 /nfs/dbraw/zinc/01/80/40/147018040.db2.gz YATAKINIOLOUGC-UHFFFAOYSA-N -1 3 336.330 2.795 20 30 EFEDHM N#Cc1ccc(NC2CC2)c(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000355633025 147018042 /nfs/dbraw/zinc/01/80/42/147018042.db2.gz YATAKINIOLOUGC-UHFFFAOYSA-N -1 3 336.330 2.795 20 30 EFEDHM Cn1ncc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)c1C#N ZINC000355636568 147019281 /nfs/dbraw/zinc/01/92/81/147019281.db2.gz QJHCINFDJKFNLW-UHFFFAOYSA-N -1 3 344.787 2.716 20 30 EFEDHM COC(=O)c1cnc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)cn1 ZINC000355690691 147035630 /nfs/dbraw/zinc/03/56/30/147035630.db2.gz YEBHMXKSDHEFPT-UHFFFAOYSA-N -1 3 344.396 2.746 20 30 EFEDHM CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccco1 ZINC000359543924 148117159 /nfs/dbraw/zinc/11/71/59/148117159.db2.gz NMQRDQSSOHEIEF-DOMZBBRYSA-N -1 3 327.384 2.716 20 30 EFEDHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000360526923 148383826 /nfs/dbraw/zinc/38/38/26/148383826.db2.gz HIQMYYDAMGOCHB-GFCCVEGCSA-N -1 3 344.864 2.677 20 30 EFEDHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000360529111 148384202 /nfs/dbraw/zinc/38/42/02/148384202.db2.gz OVOJRHTWZLAOJM-LLVKDONJSA-N -1 3 344.864 2.677 20 30 EFEDHM Cc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)ccc1[O-] ZINC000360721123 148435317 /nfs/dbraw/zinc/43/53/17/148435317.db2.gz JEBIWOHLIHRJQA-UHFFFAOYSA-N -1 3 336.326 2.571 20 30 EFEDHM N#Cc1ccc(OC2CCN(C(=O)/C=C/c3cncc([O-])c3)CC2)cc1 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EFEDHM Cn1cc(-c2csc([N-]C(=O)c3c(F)cc(C#N)cc3F)n2)cn1 ZINC000153153187 293363029 /nfs/dbraw/zinc/36/30/29/293363029.db2.gz MVEIAKFHSUFDPY-UHFFFAOYSA-N -1 3 345.334 2.946 20 30 EFEDHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000155055805 293453022 /nfs/dbraw/zinc/45/30/22/293453022.db2.gz LOHRLXYCWVVAAB-CQSZACIVSA-N -1 3 344.864 2.533 20 30 EFEDHM N#Cc1ccc(C[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000155330400 293467185 /nfs/dbraw/zinc/46/71/85/293467185.db2.gz XQWKVLFMCHRHJL-HSZRJFAPSA-N -1 3 341.314 2.522 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)N(C)c1ccccc1 ZINC000156762552 293522703 /nfs/dbraw/zinc/52/27/03/293522703.db2.gz INCITLKGXRRFQJ-CYBMUJFWSA-N -1 3 347.415 2.501 20 30 EFEDHM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156768219 293522943 /nfs/dbraw/zinc/52/29/43/293522943.db2.gz SZXLGHDDAUDSJY-RYUDHWBXSA-N -1 3 337.401 2.571 20 30 EFEDHM Cc1cnccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000337125383 301032663 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O=C(/C=C\c1cc(Cl)ccc1Cl)N[C@@H]1CCCN([O-])C1=O ZINC000493476556 314370306 /nfs/dbraw/zinc/37/03/06/314370306.db2.gz DIFVCNIIGGLTOI-GCLPIYDQSA-N -1 3 329.183 2.503 20 30 EFEDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000541812099 317790615 /nfs/dbraw/zinc/79/06/15/317790615.db2.gz ODNPZYARORCIFD-SECBINFHSA-N -1 3 339.417 2.544 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CC2)c(F)c1 ZINC000547796166 318042825 /nfs/dbraw/zinc/04/28/25/318042825.db2.gz PDTVNJLJAXXATP-UHFFFAOYSA-N -1 3 330.384 2.751 20 30 EFEDHM CCc1cccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1[O-] ZINC000552903177 318265846 /nfs/dbraw/zinc/26/58/46/318265846.db2.gz ZOFXTQVITWALEM-HNNXBMFYSA-N -1 3 337.379 2.515 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCCSC1 ZINC000553571594 318287902 /nfs/dbraw/zinc/28/79/02/318287902.db2.gz IPYCNWXVVPSCNQ-JTQLQIEISA-N -1 3 330.862 2.633 20 30 EFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568778260 319318212 /nfs/dbraw/zinc/31/82/12/319318212.db2.gz DVJUZQMQCYRQAT-UHFFFAOYSA-N -1 3 336.395 2.982 20 30 EFEDHM N#Cc1ccc(NC(=O)CSCc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000570943698 319528282 /nfs/dbraw/zinc/52/82/82/319528282.db2.gz LWKDAOMXJYHICE-UHFFFAOYSA-N -1 3 340.408 2.803 20 30 EFEDHM CSC[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000129108383 533704894 /nfs/dbraw/zinc/70/48/94/533704894.db2.gz XEDAASMBSKUGNI-MRVPVSSYSA-N -1 3 338.376 2.607 20 30 EFEDHM N#Cc1cc(F)c(C(=O)[N-]c2nncn2-c2ccccc2)c(F)c1 ZINC000182596179 323290264 /nfs/dbraw/zinc/29/02/64/323290264.db2.gz HWDTWBKZKVXMTA-UHFFFAOYSA-N -1 3 325.278 2.669 20 30 EFEDHM CC(C)Oc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000582011995 324501432 /nfs/dbraw/zinc/50/14/32/324501432.db2.gz SWTSRCGZHCCJNE-UHFFFAOYSA-N -1 3 338.367 2.971 20 30 EFEDHM CCCOc1ccc(/C=N/[C@H]2CCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000111998043 473237637 /nfs/dbraw/zinc/23/76/37/473237637.db2.gz MKBJVRXBLMRANE-QOJWJBQSSA-N -1 3 344.333 2.763 20 30 EFEDHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c[nH]1 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COc1cccc(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000096188008 473329659 /nfs/dbraw/zinc/32/96/59/473329659.db2.gz ABXGIFTVZUUDSE-WDZFZDKYSA-N -1 3 331.393 2.963 20 30 EFEDHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000185149500 473343946 /nfs/dbraw/zinc/34/39/46/473343946.db2.gz CAKLLIQKDBLGKH-SFHVURJKSA-N -1 3 344.411 2.864 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000190670288 473356836 /nfs/dbraw/zinc/35/68/36/473356836.db2.gz SLPHQMVEZSFFTF-RYUDHWBXSA-N -1 3 347.864 2.997 20 30 EFEDHM COc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000171305689 473358712 /nfs/dbraw/zinc/35/87/12/473358712.db2.gz WQJOYRYYWMCWGG-UHFFFAOYSA-N -1 3 339.395 2.752 20 30 EFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000190733821 473378250 /nfs/dbraw/zinc/37/82/50/473378250.db2.gz XRSHEAPSFJCQEF-LLVKDONJSA-N -1 3 342.848 2.957 20 30 EFEDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000361963123 475899581 /nfs/dbraw/zinc/89/95/81/475899581.db2.gz SFJLSDIDKZYOIE-JTQLQIEISA-N -1 3 336.335 2.576 20 30 EFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000452043779 476792329 /nfs/dbraw/zinc/79/23/29/476792329.db2.gz QKWWWNGBEREZCZ-UHFFFAOYSA-N -1 3 349.206 2.602 20 30 EFEDHM CN(C)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000619825544 479891348 /nfs/dbraw/zinc/89/13/48/479891348.db2.gz RINPLYIHDVTFGT-KRWDZBQOSA-N -1 3 343.814 2.950 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCSCc2ccccc2C#N)c1[O-] ZINC000005111136 471486785 /nfs/dbraw/zinc/48/67/85/471486785.db2.gz MWILXLLBGRCRJA-KEBDBYFISA-N -1 3 341.436 2.812 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2ccc(NC(=O)C3CC3)cc2)c1[O-] ZINC000011123065 471746776 /nfs/dbraw/zinc/74/67/76/471746776.db2.gz XXTLPWRIPFGQNG-AWQFTUOYSA-N -1 3 325.368 2.687 20 30 EFEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000040363163 472030707 /nfs/dbraw/zinc/03/07/07/472030707.db2.gz AZUKTOQOTGFWAP-MRVPVSSYSA-N -1 3 337.626 2.683 20 30 EFEDHM N#CCCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000054138280 472061167 /nfs/dbraw/zinc/06/11/67/472061167.db2.gz AOKJZOLKIXMMIK-UHFFFAOYSA-N -1 3 337.626 2.685 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(NC(=O)C3CC3)cc2)nc(C)n1 ZINC000041574536 472070457 /nfs/dbraw/zinc/07/04/57/472070457.db2.gz MRFQBIMWUUYNIC-INIZCTEOSA-N -1 3 334.379 2.932 20 30 EFEDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCc1ccc(C#N)cc1 ZINC000024893024 472071949 /nfs/dbraw/zinc/07/19/49/472071949.db2.gz WUSRFQVEQAIVQL-UHFFFAOYSA-N -1 3 343.408 2.501 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)CCC)ccc1F ZINC000041988249 472102662 /nfs/dbraw/zinc/10/26/62/472102662.db2.gz IUSPGDKDTRMXHF-GFCCVEGCSA-N -1 3 342.436 2.551 20 30 EFEDHM C=CCNC(=O)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[n-]1 ZINC000055492496 472193864 /nfs/dbraw/zinc/19/38/64/472193864.db2.gz MVRGYANOLWQRIA-UHFFFAOYSA-N -1 3 343.383 2.635 20 30 EFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC000055558041 472204632 /nfs/dbraw/zinc/20/46/32/472204632.db2.gz PJZXZXDDCAHSHB-UHFFFAOYSA-N -1 3 348.399 2.851 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(F)cc1 ZINC000055750410 472234043 /nfs/dbraw/zinc/23/40/43/472234043.db2.gz NVJLSAJIUYGHAW-UHFFFAOYSA-N -1 3 327.359 2.598 20 30 EFEDHM CCOc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000055767992 472236855 /nfs/dbraw/zinc/23/68/55/472236855.db2.gz NSHUAQFKMIEEBV-UHFFFAOYSA-N -1 3 339.395 2.833 20 30 EFEDHM CC(C)COC[C@@H]([N-]S(=O)(=O)CCCCC#N)c1ccco1 ZINC000068908298 472263925 /nfs/dbraw/zinc/26/39/25/472263925.db2.gz PGMWONWLIVIXCX-CQSZACIVSA-N -1 3 328.434 2.607 20 30 EFEDHM CC(C)C[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)N1CCCCC1=O ZINC000087167884 472312003 /nfs/dbraw/zinc/31/20/03/472312003.db2.gz ASEKUKZDTLYPLE-VIFPVBQESA-N -1 3 347.341 2.839 20 30 EFEDHM CC(C)C[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)N1CCCCC1=O ZINC000087167884 472312004 /nfs/dbraw/zinc/31/20/04/472312004.db2.gz ASEKUKZDTLYPLE-VIFPVBQESA-N -1 3 347.341 2.839 20 30 EFEDHM C=CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000154161256 472395812 /nfs/dbraw/zinc/39/58/12/472395812.db2.gz LSWFJWWRHKEDCA-UHFFFAOYSA-N -1 3 348.399 2.885 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)CCCC)ccc1F ZINC000045353085 472397639 /nfs/dbraw/zinc/39/76/39/472397639.db2.gz OCVHCRPIXOCRTA-UHFFFAOYSA-N -1 3 342.436 2.552 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H](C)N2CCc3sccc3C2)c1[O-] ZINC000031854462 472399572 /nfs/dbraw/zinc/39/95/72/472399572.db2.gz BRWODEHIBXSOAX-BFNDQCEFSA-N -1 3 345.468 2.515 20 30 EFEDHM COc1cc(F)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000045442189 472409644 /nfs/dbraw/zinc/40/96/44/472409644.db2.gz QYPWIADMUYBUDY-UHFFFAOYSA-N -1 3 343.358 2.582 20 30 EFEDHM COCCCOc1cccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c1 ZINC000076822602 472409570 /nfs/dbraw/zinc/40/95/70/472409570.db2.gz JMYGENSBZZTDFQ-QGZVFWFLSA-N -1 3 339.395 2.999 20 30 EFEDHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1CO ZINC000076936553 472426972 /nfs/dbraw/zinc/42/69/72/472426972.db2.gz OGGJMGCXHPXUAD-UHFFFAOYSA-N -1 3 346.408 2.559 20 30 EFEDHM Cn1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c(-c2ccccc2)n1 ZINC000089436719 472438861 /nfs/dbraw/zinc/43/88/61/472438861.db2.gz TWGHFLHPAYWVRZ-UHFFFAOYSA-N -1 3 345.366 2.904 20 30 EFEDHM Cn1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c(-c2ccccc2)n1 ZINC000089436719 472438867 /nfs/dbraw/zinc/43/88/67/472438867.db2.gz TWGHFLHPAYWVRZ-UHFFFAOYSA-N -1 3 345.366 2.904 20 30 EFEDHM Cn1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c(-c2ccccc2)n1 ZINC000089436719 472438872 /nfs/dbraw/zinc/43/88/72/472438872.db2.gz TWGHFLHPAYWVRZ-UHFFFAOYSA-N -1 3 345.366 2.904 20 30 EFEDHM N#Cc1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)cc1Cl ZINC000089589418 472462204 /nfs/dbraw/zinc/46/22/04/472462204.db2.gz YPTUALKLXGAPDY-UHFFFAOYSA-N -1 3 341.798 2.880 20 30 EFEDHM CS(=O)(=O)N[C@H]1CCC[C@@H]1C/N=C/c1c([O-])ccc2ccccc21 ZINC000129381591 472539755 /nfs/dbraw/zinc/53/97/55/472539755.db2.gz OMIAMJDCAVHZSX-CHEZLUQTSA-N -1 3 346.452 2.682 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1c(C)noc1C ZINC000119358521 472548483 /nfs/dbraw/zinc/54/84/83/472548483.db2.gz GHUYDHQHRGQWQO-CYBMUJFWSA-N -1 3 337.376 2.732 20 30 EFEDHM CCCOc1ccc(/C=N/CC(=O)NCCc2ccccc2)c([O-])c1 ZINC000119659697 472573287 /nfs/dbraw/zinc/57/32/87/472573287.db2.gz QAXWWYFQZOZVNF-KGENOOAVSA-N -1 3 340.423 2.959 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000130435277 472606800 /nfs/dbraw/zinc/60/68/00/472606800.db2.gz MBJGAQBOUKHJGT-SWLSCSKDSA-N -1 3 337.401 2.654 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccc(-n2cccn2)n1 ZINC000130941092 472637804 /nfs/dbraw/zinc/63/78/04/472637804.db2.gz XFJXLNUHHBRLPU-ZDUSSCGKSA-N -1 3 342.362 2.644 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000104055525 472653375 /nfs/dbraw/zinc/65/33/75/472653375.db2.gz OOZDXRPPQLANQS-MRXNPFEDSA-N -1 3 335.363 2.832 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2ncccc2c1 ZINC000060788818 472677221 /nfs/dbraw/zinc/67/72/21/472677221.db2.gz KINKVVGEZXLWIS-UHFFFAOYSA-N -1 3 346.390 2.983 20 30 EFEDHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156232450 472680522 /nfs/dbraw/zinc/68/05/22/472680522.db2.gz NNZQWLKYYJKTHE-UHFFFAOYSA-N -1 3 348.399 2.535 20 30 EFEDHM CCOc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000060950403 472684731 /nfs/dbraw/zinc/68/47/31/472684731.db2.gz UILSOGUVHXDVFQ-UHFFFAOYSA-N -1 3 340.379 2.800 20 30 EFEDHM C=CCn1c(=O)c2ccccc2nc1SCc1cc(=O)c([O-])co1 ZINC000072635283 472690609 /nfs/dbraw/zinc/69/06/09/472690609.db2.gz BZHWAIOVRMLRAH-UHFFFAOYSA-N -1 3 342.376 2.534 20 30 EFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047343283 472693229 /nfs/dbraw/zinc/69/32/29/472693229.db2.gz XXEMFJDYETXUMM-NSHDSACASA-N -1 3 334.339 2.794 20 30 EFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047343283 472693233 /nfs/dbraw/zinc/69/32/33/472693233.db2.gz XXEMFJDYETXUMM-NSHDSACASA-N -1 3 334.339 2.794 20 30 EFEDHM C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047343283 472693238 /nfs/dbraw/zinc/69/32/38/472693238.db2.gz XXEMFJDYETXUMM-NSHDSACASA-N -1 3 334.339 2.794 20 30 EFEDHM N#CC1([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCCC1 ZINC000132255214 472725209 /nfs/dbraw/zinc/72/52/09/472725209.db2.gz WGORYHZLQZYKNG-UHFFFAOYSA-N -1 3 334.228 2.893 20 30 EFEDHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000156623393 472732904 /nfs/dbraw/zinc/73/29/04/472732904.db2.gz GGUPCNRBHHVNHU-GFCCVEGCSA-N -1 3 345.380 2.814 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000156834166 472757903 /nfs/dbraw/zinc/75/79/03/472757903.db2.gz OKGYVSXEWVHBSO-CABCVRRESA-N -1 3 334.347 2.671 20 30 EFEDHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000121017979 472783126 /nfs/dbraw/zinc/78/31/26/472783126.db2.gz GMYFHEGVEKHACJ-NWDGAFQWSA-N -1 3 337.401 2.714 20 30 EFEDHM COc1cccc(CCC[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000157120774 472788062 /nfs/dbraw/zinc/78/80/62/472788062.db2.gz PKTDEEJJPIGYRO-UHFFFAOYSA-N -1 3 348.399 2.617 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000157448749 472821953 /nfs/dbraw/zinc/82/19/53/472821953.db2.gz VNLSUVNZFPLBTF-ZDUSSCGKSA-N -1 3 330.384 2.706 20 30 EFEDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cccc(C)c2C#N)n1 ZINC000157662941 472845814 /nfs/dbraw/zinc/84/58/14/472845814.db2.gz MSKMEIIZGOGYDV-UHFFFAOYSA-N -1 3 335.454 2.845 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)C[C@@H](C)C1 ZINC000158022418 472883804 /nfs/dbraw/zinc/88/38/04/472883804.db2.gz JGPICCWJYYJKRS-CHWSQXEVSA-N -1 3 329.444 2.691 20 30 EFEDHM CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000073954449 472908946 /nfs/dbraw/zinc/90/89/46/472908946.db2.gz QLXKJOXBMPDFER-PBHICJAKSA-N -1 3 329.444 2.881 20 30 EFEDHM CC[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000073954451 472909115 /nfs/dbraw/zinc/90/91/15/472909115.db2.gz QLXKJOXBMPDFER-RHSMWYFYSA-N -1 3 329.444 2.881 20 30 EFEDHM CC(C)CSCCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000159078224 472996670 /nfs/dbraw/zinc/99/66/70/472996670.db2.gz SXWMOVAKDJDKNL-UHFFFAOYSA-N -1 3 330.450 2.755 20 30 EFEDHM CCOc1ccc(N(CCC#N)C(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000108808355 473056809 /nfs/dbraw/zinc/05/68/09/473056809.db2.gz PEVMGHPXRTUCGO-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM N#CCCCCS(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000109343219 473095969 /nfs/dbraw/zinc/09/59/69/473095969.db2.gz JZDZDCXANIJXNF-CQSZACIVSA-N -1 3 335.454 2.846 20 30 EFEDHM CC(=O)Nc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)ccc1F ZINC000066506530 473107079 /nfs/dbraw/zinc/10/70/79/473107079.db2.gz BAWSQCVXFANFKT-ZDUSSCGKSA-N -1 3 326.331 2.681 20 30 EFEDHM Cc1cc(Cl)ncc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000136026080 473128104 /nfs/dbraw/zinc/12/81/04/473128104.db2.gz UKTAWTQYQJXRDT-UHFFFAOYSA-N -1 3 344.802 2.792 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000081037290 473134856 /nfs/dbraw/zinc/13/48/56/473134856.db2.gz HOXWKBDABAJKEH-UHFFFAOYSA-N -1 3 340.626 2.575 20 30 EFEDHM Cc1cc(S(C)(=O)=O)cc(C([O-])=C(C#N)c2ccccn2)c1C ZINC000136536203 473163180 /nfs/dbraw/zinc/16/31/80/473163180.db2.gz CFQCNDFPGIFVAK-OAHLLOKOSA-N -1 3 328.393 2.592 20 30 EFEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000123718002 473178568 /nfs/dbraw/zinc/17/85/68/473178568.db2.gz KAYVCZJBVTUSPL-UHFFFAOYSA-N -1 3 334.784 2.947 20 30 EFEDHM N#CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCOCC1 ZINC000094151342 473181698 /nfs/dbraw/zinc/18/16/98/473181698.db2.gz YLGRSGWRUKFNPE-UHFFFAOYSA-N -1 3 336.391 2.786 20 30 EFEDHM CC(C)c1cc(C(=O)N2CCN(CC#N)CC2)c([O-])c(C(C)C)c1 ZINC000094161647 473182785 /nfs/dbraw/zinc/18/27/85/473182785.db2.gz NYIPRPVWWNKWGV-UHFFFAOYSA-N -1 3 329.444 2.920 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C#N)sc1Br ZINC000094463001 473185920 /nfs/dbraw/zinc/18/59/20/473185920.db2.gz GPAVDGHFCTYGRV-RKDXNWHRSA-N -1 3 349.275 2.790 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(-n2cccn2)c1 ZINC000123805335 473187241 /nfs/dbraw/zinc/18/72/41/473187241.db2.gz 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473466753 /nfs/dbraw/zinc/46/67/53/473466753.db2.gz RTMAFYILWQFBRL-UHFFFAOYSA-N -1 3 349.843 2.863 20 30 EFEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H](C)C#N)s2)cs1 ZINC000178355738 473497273 /nfs/dbraw/zinc/49/72/73/473497273.db2.gz KWRYOSSXKZQUEN-QMMMGPOBSA-N -1 3 327.456 2.618 20 30 EFEDHM N#CC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000126316414 473507135 /nfs/dbraw/zinc/50/71/35/473507135.db2.gz CJZZSJITDRUPMC-UHFFFAOYSA-N -1 3 338.205 2.600 20 30 EFEDHM COCCN(C)c1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cn1 ZINC000191229376 473513702 /nfs/dbraw/zinc/51/37/02/473513702.db2.gz ZOZBAVMMHCTVFS-QPJJXVBHSA-N -1 3 342.395 2.775 20 30 EFEDHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)CO2 ZINC000126747570 473542118 /nfs/dbraw/zinc/54/21/18/473542118.db2.gz FVOKOWWSJCEVCR-AWEZNQCLSA-N -1 3 348.811 2.932 20 30 EFEDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)CCCC#N)c1ccco1 ZINC000152724947 473591543 /nfs/dbraw/zinc/59/15/43/473591543.db2.gz PYOHZERMGJPXII-MRXNPFEDSA-N -1 3 334.397 2.601 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000186179857 473609990 /nfs/dbraw/zinc/60/99/90/473609990.db2.gz PTNFVWRZURQJRE-ZDUSSCGKSA-N -1 3 345.848 2.752 20 30 EFEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000153414891 473622695 /nfs/dbraw/zinc/62/26/95/473622695.db2.gz PIUQBXICOFLJDS-NSHDSACASA-N -1 3 349.225 2.805 20 30 EFEDHM CS(=O)(=O)c1ccc(Cl)c([N-]C(=O)c2sccc2C#N)c1 ZINC000127986431 473669761 /nfs/dbraw/zinc/66/97/61/473669761.db2.gz IKGMDFFDGVMODI-UHFFFAOYSA-N -1 3 340.813 2.929 20 30 EFEDHM N#Cc1ccsc1C(=O)[N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000128030241 473673304 /nfs/dbraw/zinc/67/33/04/473673304.db2.gz PREVVACUBDAVNE-UHFFFAOYSA-N -1 3 345.336 2.942 20 30 EFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1Cc1ccc(F)cc1 ZINC000192505685 473686201 /nfs/dbraw/zinc/68/62/01/473686201.db2.gz WWMPNBHDBQUSNL-HNNXBMFYSA-N -1 3 335.342 2.659 20 30 EFEDHM Cc1nc(Cl)ccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000192500183 473686494 /nfs/dbraw/zinc/68/64/94/473686494.db2.gz HZVBPKGFEZWJMN-UHFFFAOYSA-N -1 3 344.802 2.792 20 30 EFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000186581314 473693505 /nfs/dbraw/zinc/69/35/05/473693505.db2.gz SRRHSFNXAARNKX-IAQYHMDHSA-N -1 3 337.832 2.962 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287853394 473778187 /nfs/dbraw/zinc/77/81/87/473778187.db2.gz OZHCSDZXQJASQQ-MRVPVSSYSA-N -1 3 340.298 2.695 20 30 EFEDHM COc1ccc(OCCS(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193355241 473782386 /nfs/dbraw/zinc/78/23/86/473782386.db2.gz QJYONDUIXXRUSR-UHFFFAOYSA-N -1 3 346.408 2.582 20 30 EFEDHM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc12 ZINC000194083727 473839991 /nfs/dbraw/zinc/83/99/91/473839991.db2.gz NDERDDZSWUIJNF-CQSZACIVSA-N -1 3 344.378 2.654 20 30 EFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000173739628 473923139 /nfs/dbraw/zinc/92/31/39/473923139.db2.gz YJHXGGOSZBAGFE-UHFFFAOYSA-N -1 3 344.289 2.593 20 30 EFEDHM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)o1 ZINC000288437321 473942551 /nfs/dbraw/zinc/94/25/51/473942551.db2.gz UEAYISRBBMGWKG-MRXNPFEDSA-N -1 3 348.424 2.521 20 30 EFEDHM CCCCCCCCNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000270028909 473959263 /nfs/dbraw/zinc/95/92/63/473959263.db2.gz GRVRCVJLPSTAKY-IBGZPJMESA-N -1 3 345.443 2.832 20 30 EFEDHM N#Cc1ccccc1CSCCNC(=O)c1c([O-])cccc1O ZINC000180836546 473975316 /nfs/dbraw/zinc/97/53/16/473975316.db2.gz BDNPTYXOLAEKLM-UHFFFAOYSA-N -1 3 328.393 2.633 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000180844737 473976706 /nfs/dbraw/zinc/97/67/06/473976706.db2.gz KOTNYGOUEGOJAS-LLVKDONJSA-N -1 3 329.393 2.635 20 30 EFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc([O-])cc1F ZINC000180852075 473976753 /nfs/dbraw/zinc/97/67/53/473976753.db2.gz PXAOWMHBFWLSMK-UHFFFAOYSA-N -1 3 330.363 2.830 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000180855685 473978496 /nfs/dbraw/zinc/97/84/96/473978496.db2.gz PLGJKCDEXYDRPS-LLVKDONJSA-N -1 3 329.393 2.635 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000274889647 474000936 /nfs/dbraw/zinc/00/09/36/474000936.db2.gz RAVNPSKBNRGFJV-LBPRGKRZSA-N -1 3 347.864 2.998 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c(Cl)c1 ZINC000181118088 474007643 /nfs/dbraw/zinc/00/76/43/474007643.db2.gz ZVLAEYOZJKSIDL-CQSZACIVSA-N -1 3 337.832 2.962 20 30 EFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000181885297 474068065 /nfs/dbraw/zinc/06/80/65/474068065.db2.gz XLYMZBIEEVKVRC-UHFFFAOYSA-N -1 3 340.379 2.567 20 30 EFEDHM C=C[C@@](C)(CC)c1nc(-c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000288950554 474101428 /nfs/dbraw/zinc/10/14/28/474101428.db2.gz PCGNCHJMLPYAGP-ZWKOTPCHSA-N -1 3 340.383 2.645 20 30 EFEDHM [O-]c1ccc2ccccc2c1/C=N/C[C@H]1COC2(CCOCC2)O1 ZINC000182236128 474129743 /nfs/dbraw/zinc/12/97/43/474129743.db2.gz KAWXHMPTTZHZPA-SLDJAQPHSA-N -1 3 327.380 2.886 20 30 EFEDHM COCCN1C(=O)CCc2cc(/N=C/c3cccc([O-])c3O)ccc21 ZINC000275308319 474139476 /nfs/dbraw/zinc/13/94/76/474139476.db2.gz RCJQVLKUHDJOPA-UDWIEESQSA-N -1 3 340.379 2.774 20 30 EFEDHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000175169915 474153556 /nfs/dbraw/zinc/15/35/56/474153556.db2.gz KBVXLSJYMNMJBD-ZETCQYMHSA-N -1 3 337.626 2.540 20 30 EFEDHM CC(C)[C@H](C/N=C/c1ccc(O)c([O-])c1O)NC(=O)OC(C)(C)C ZINC000265141051 474168045 /nfs/dbraw/zinc/16/80/45/474168045.db2.gz AVINGCLDKGYXMV-MEBUONCMSA-N -1 3 338.404 2.772 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000265166382 474168367 /nfs/dbraw/zinc/16/83/67/474168367.db2.gz UVGQQEJPJMHYTL-BTZNOAQDSA-N -1 3 325.412 2.676 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCN(c3ccccc3F)C2)c1[O-] ZINC000270624010 474195460 /nfs/dbraw/zinc/19/54/60/474195460.db2.gz DYTBTOMDLOHZDQ-GTQIFZCBSA-N -1 3 343.402 2.815 20 30 EFEDHM C=CCCCC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000175380324 474202763 /nfs/dbraw/zinc/20/27/63/474202763.db2.gz UYUWDJILAWMGFX-UHFFFAOYSA-N -1 3 326.418 2.752 20 30 EFEDHM Cn1cnc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2)n1 ZINC000182564887 474207731 /nfs/dbraw/zinc/20/77/31/474207731.db2.gz TYXOEALVGLMECS-CQSZACIVSA-N -1 3 342.362 2.848 20 30 EFEDHM CCSCC[C@@H](C)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000175597197 474259307 /nfs/dbraw/zinc/25/93/07/474259307.db2.gz XFGZGUYSJAMBRA-GFCCVEGCSA-N -1 3 349.500 2.786 20 30 EFEDHM N#CCCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000236056125 474270229 /nfs/dbraw/zinc/27/02/29/474270229.db2.gz HTXUJDVEPHFBDO-UHFFFAOYSA-N -1 3 337.626 2.685 20 30 EFEDHM CN(Cc1ccccc1)[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000189223525 474329910 /nfs/dbraw/zinc/32/99/10/474329910.db2.gz NPTABBNOLQUINV-IBGZPJMESA-N -1 3 349.434 2.904 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(Cl)c1 ZINC000183524220 474388979 /nfs/dbraw/zinc/38/89/79/474388979.db2.gz YQMWWNBUCUOONP-CYBMUJFWSA-N -1 3 332.812 2.830 20 30 EFEDHM Cc1ccc(N2CCC[C@@H](/N=C/c3c([O-])c(C)ncc3CO)C2)cc1 ZINC000265984022 474413109 /nfs/dbraw/zinc/41/31/09/474413109.db2.gz CFOIJKOBAQIUHI-ZTBJCTOSSA-N -1 3 339.439 2.984 20 30 EFEDHM COCCn1cc(C/N=C/c2cc(Br)ccc2[O-])cn1 ZINC000283755212 474487120 /nfs/dbraw/zinc/48/71/20/474487120.db2.gz GTWIAWRERVEPRI-CXUHLZMHSA-N -1 3 338.205 2.617 20 30 EFEDHM CCc1ccc([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)N(C)C)cc1 ZINC000189923604 474507445 /nfs/dbraw/zinc/50/74/45/474507445.db2.gz YYBLDRCGXDVBLY-SFHVURJKSA-N -1 3 337.423 2.859 20 30 EFEDHM CCNC(=O)C1(C/N=C/c2cc(Br)ccc2[O-])CCC1 ZINC000276897277 474573491 /nfs/dbraw/zinc/57/34/91/474573491.db2.gz NWIDWVRMGYEBSO-RQZCQDPDSA-N -1 3 339.233 2.880 20 30 EFEDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C2CC2)cc1 ZINC000277094019 474578493 /nfs/dbraw/zinc/57/84/93/474578493.db2.gz VWCQESLELXRCJZ-QGZVFWFLSA-N -1 3 327.409 2.691 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCc2c(O)cccc21 ZINC000190339052 474581533 /nfs/dbraw/zinc/58/15/33/474581533.db2.gz OXQMBLAIULCHQA-HNNXBMFYSA-N -1 3 346.383 2.759 20 30 EFEDHM COC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(F)c(F)c1 ZINC000271597722 474581768 /nfs/dbraw/zinc/58/17/68/474581768.db2.gz 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CC(C)(C)Oc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1C#N ZINC000451083610 477815022 /nfs/dbraw/zinc/81/50/22/477815022.db2.gz ICQKIWYTVLOSCY-AWEZNQCLSA-N -1 3 338.429 2.656 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(F)F ZINC000451086419 477816356 /nfs/dbraw/zinc/81/63/56/477816356.db2.gz UWNMHGDSWOFMLC-SNVBAGLBSA-N -1 3 342.289 2.899 20 30 EFEDHM CCc1ccc(C(C)(C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428372716 477877569 /nfs/dbraw/zinc/87/75/69/477877569.db2.gz JOIMJKGLMJCCNS-UHFFFAOYSA-N -1 3 329.425 2.729 20 30 EFEDHM Cc1c(C)c(C)c(C[N-]S(=O)(=O)c2cccnc2C#N)c(C)c1C ZINC000428372788 477877616 /nfs/dbraw/zinc/87/76/16/477877616.db2.gz JVHITPSXRRUGFB-UHFFFAOYSA-N -1 3 343.452 2.974 20 30 EFEDHM C[C@@H]1CCCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428371232 477877739 /nfs/dbraw/zinc/87/77/39/477877739.db2.gz DHWIPVZKNYNPBR-FZKQIMNGSA-N -1 3 341.436 2.945 20 30 EFEDHM CC(C)c1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428414331 477889444 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Cc1ncc(CO)c(/C=N\Cc2nnc(-c3ccccc3)s2)c1[O-] ZINC000759643126 575914665 /nfs/dbraw/zinc/91/46/65/575914665.db2.gz LFRFASSNVBPKSI-LSCVHKIXSA-N -1 3 340.408 2.726 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(F)cc2cccnc12 ZINC000760255244 575996208 /nfs/dbraw/zinc/99/62/08/575996208.db2.gz ZIJNDANUIRQIRQ-UHFFFAOYSA-N -1 3 343.383 2.827 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cnc(C2CCC2)s1 ZINC000760260878 575996734 /nfs/dbraw/zinc/99/67/34/575996734.db2.gz WVAQTVSQSCJMSD-UHFFFAOYSA-N -1 3 349.481 2.907 20 30 EFEDHM C#CCN1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000760430815 576023186 /nfs/dbraw/zinc/02/31/86/576023186.db2.gz SFYSVZKHBPJVEL-UHFFFAOYSA-N -1 3 348.446 2.568 20 30 EFEDHM CCC(=O)N1CC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000761787236 576212709 /nfs/dbraw/zinc/21/27/09/576212709.db2.gz VOVZOIOXECQYAT-VJMCZWTHSA-N -1 3 325.206 2.585 20 30 EFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(C#N)s1 ZINC000762448097 576303502 /nfs/dbraw/zinc/30/35/02/576303502.db2.gz GSJQLWLZLJTIDK-UHFFFAOYSA-N 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CC(=NNc1nccn(C)c1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000766024983 577099051 /nfs/dbraw/zinc/09/90/51/577099051.db2.gz GESVBHJFIVYGOO-UHFFFAOYSA-N -1 3 327.171 2.629 20 30 EFEDHM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)C1(C)C ZINC000766081974 577105090 /nfs/dbraw/zinc/10/50/90/577105090.db2.gz VYXUDQGOIDYHIC-LSDHHAIUSA-N -1 3 340.420 2.568 20 30 EFEDHM Cc1nc(C#N)c([N-]N=Cc2c(C(C)C)nc3sc(C)nn23)o1 ZINC000766694884 577177752 /nfs/dbraw/zinc/17/77/52/577177752.db2.gz GZEGESVKKSZKBD-UHFFFAOYSA-N -1 3 329.389 2.837 20 30 EFEDHM COc1cc(C)nc([N-]N=Cc2c(C(C)C)nc3sc(C)nn23)n1 ZINC000766704836 577178335 /nfs/dbraw/zinc/17/83/35/577178335.db2.gz FUHLEKYRXGAFSA-UHFFFAOYSA-N -1 3 345.432 2.776 20 30 EFEDHM COc1cc(C=NNc2ncnc3sccc32)c([N+](=O)[O-])cc1[O-] ZINC000767186443 577199308 /nfs/dbraw/zinc/19/93/08/577199308.db2.gz DEZGDYPGNIMOPS-UHFFFAOYSA-N -1 3 345.340 2.760 20 30 EFEDHM Cc1cncc(C(C)N=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c1 ZINC000767380517 577206873 /nfs/dbraw/zinc/20/68/73/577206873.db2.gz WFLIBBBBAGDYLG-UHFFFAOYSA-N -1 3 339.403 2.826 20 30 EFEDHM C#CCOc1ccccc1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC000739021715 577224351 /nfs/dbraw/zinc/22/43/51/577224351.db2.gz IAOPMFCNIAQWDP-UHFFFAOYSA-N -1 3 328.343 2.543 20 30 EFEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1F ZINC000737994826 577233967 /nfs/dbraw/zinc/23/39/67/577233967.db2.gz LTKOLQZLCLJREN-QGZVFWFLSA-N -1 3 328.343 2.964 20 30 EFEDHM O=C1[N-]c2c(c(Cl)ccc2F)C1=NNC(=S)Nc1ccccn1 ZINC000767804529 577234931 /nfs/dbraw/zinc/23/49/31/577234931.db2.gz HVHBFCJUTCCPAM-UHFFFAOYSA-N -1 3 349.778 2.517 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(OC(C)(C)C)n2)c1[O-] ZINC000767879596 577239849 /nfs/dbraw/zinc/23/98/49/577239849.db2.gz VQABTASVWWMSTC-GRSHGNNSSA-N -1 3 329.400 2.779 20 30 EFEDHM COc1cccc([C@H](C#N)NC(=O)c2cccc(C)c2[O-])c1OC ZINC000768157109 577258348 /nfs/dbraw/zinc/25/83/48/577258348.db2.gz PHXOPGLGFLGYEL-AWEZNQCLSA-N -1 3 326.352 2.713 20 30 EFEDHM C[C@H]1CCC[C@@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000768364534 577268782 /nfs/dbraw/zinc/26/87/82/577268782.db2.gz KCSIKQKPZFNEPP-GXTWGEPZSA-N -1 3 339.417 2.826 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737727251 577271294 /nfs/dbraw/zinc/27/12/94/577271294.db2.gz HYPYMVHUMDHTSX-SOFGYWHQSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737727251 577271298 /nfs/dbraw/zinc/27/12/98/577271298.db2.gz HYPYMVHUMDHTSX-SOFGYWHQSA-N -1 3 349.325 2.634 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(Cl)c1 ZINC000768890891 577314424 /nfs/dbraw/zinc/31/44/24/577314424.db2.gz XFQFZXUCIWBFHW-UHFFFAOYSA-N -1 3 343.773 2.982 20 30 EFEDHM O=S(=O)([N-]N=C(Cc1ccccc1)C(F)F)c1ccc(F)cc1 ZINC000769585264 577373460 /nfs/dbraw/zinc/37/34/60/577373460.db2.gz NAOKJEUXWODGQS-UHFFFAOYSA-N -1 3 342.342 2.968 20 30 EFEDHM N#CCn1cc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])cn1 ZINC000769738801 577381917 /nfs/dbraw/zinc/38/19/17/577381917.db2.gz UJEVEFAKDVNVFH-UHFFFAOYSA-N -1 3 348.362 2.944 20 30 EFEDHM CCCCCCCCOC(=O)c1cc(S(N)(=O)=O)ccc1[O-] ZINC000769790497 577385366 /nfs/dbraw/zinc/38/53/66/577385366.db2.gz NOYVPGWFCGLPHZ-UHFFFAOYSA-N -1 3 329.418 2.557 20 30 EFEDHM CC(C)(C)NC(=S)NN=Cc1cc([O-])ccc1Br ZINC000769797264 577385779 /nfs/dbraw/zinc/38/57/79/577385779.db2.gz QBOBVIFOZOKIJT-UHFFFAOYSA-N -1 3 330.251 2.751 20 30 EFEDHM CC(=NNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1)c1ccccc1[O-] ZINC000769812298 577387214 /nfs/dbraw/zinc/38/72/14/577387214.db2.gz LUKAFHFIANCWCI-UHFFFAOYSA-N -1 3 340.387 2.829 20 30 EFEDHM Cn1ncc2c1nc(N=NCc1cccc(C(F)(F)F)c1)[n-]c2=O ZINC000769819192 577387559 /nfs/dbraw/zinc/38/75/59/577387559.db2.gz KEJZOARPVKCRPB-UHFFFAOYSA-N -1 3 336.277 2.534 20 30 EFEDHM C=CCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000770081239 577401026 /nfs/dbraw/zinc/40/10/26/577401026.db2.gz GJASNGLEQDSADT-UHFFFAOYSA-N -1 3 342.436 2.599 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(N(C)C)c(F)c3)nc1-2 ZINC000770138698 577403963 /nfs/dbraw/zinc/40/39/63/577403963.db2.gz OKKSLAPDRSIZHB-GFCCVEGCSA-N -1 3 337.358 2.962 20 30 EFEDHM C#C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000770362061 577412891 /nfs/dbraw/zinc/41/28/91/577412891.db2.gz UWZOJZOYPYDOIY-LLVKDONJSA-N -1 3 327.833 2.819 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000770392898 577414954 /nfs/dbraw/zinc/41/49/54/577414954.db2.gz ZYSYYJZETVDUMB-NSHDSACASA-N -1 3 330.331 2.657 20 30 EFEDHM CCO[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccccc1 ZINC000770424544 577417381 /nfs/dbraw/zinc/41/73/81/577417381.db2.gz OHAIJMPKRANBSY-INIZCTEOSA-N -1 3 348.399 2.753 20 30 EFEDHM COc1cccc([O-])c1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000771934880 581261650 /nfs/dbraw/zinc/26/16/50/581261650.db2.gz FJTBEAYKOHRJTA-GOSISDBHSA-N -1 3 337.423 2.783 20 30 EFEDHM CCOC(=O)C(F)(F)[C@@H]1CCCC(N=Nc2nc(C)cc(=O)[n-]2)C1 ZINC000772827205 581372807 /nfs/dbraw/zinc/37/28/07/581372807.db2.gz FQVJHMUINHKESA-SNVBAGLBSA-N -1 3 342.346 2.647 20 30 EFEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000772991251 581386172 /nfs/dbraw/zinc/38/61/72/581386172.db2.gz KSAGEMNCDRTBCB-UHFFFAOYSA-N -1 3 330.384 2.751 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)[C@H]1CCCO1 ZINC000773059323 581391791 /nfs/dbraw/zinc/39/17/91/581391791.db2.gz WEOAGKPHHZMVKT-VXGBXAGGSA-N -1 3 348.251 2.761 20 30 EFEDHM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000773359956 581422859 /nfs/dbraw/zinc/42/28/59/581422859.db2.gz QEJCAIRENIGGBQ-NSHDSACASA-N -1 3 333.388 2.694 20 30 EFEDHM C=C(CC)COC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000773484205 581435960 /nfs/dbraw/zinc/43/59/60/581435960.db2.gz ZYLYCKYJUQNZKD-UHFFFAOYSA-N -1 3 345.399 2.763 20 30 EFEDHM CCOc1ccc2c(c1)[C@@H](/N=C\c1c([O-])c(C)ncc1CO)CCO2 ZINC000773907469 581473179 /nfs/dbraw/zinc/47/31/79/581473179.db2.gz PYUIYARZDCAJNP-SOFYTKRASA-N -1 3 342.395 2.929 20 30 EFEDHM CN(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)ccn1 ZINC000773980235 581476793 /nfs/dbraw/zinc/47/67/93/581476793.db2.gz PDPPALGLUBQIQK-LBPRGKRZSA-N -1 3 342.786 2.762 20 30 EFEDHM CCC(CC)CNN=C(C)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000774473643 581492350 /nfs/dbraw/zinc/49/23/50/581492350.db2.gz UGFZYYMBWFVLCI-UHFFFAOYSA-N -1 3 333.476 2.974 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C[C@H]1CCOC1 ZINC000774750607 581499868 /nfs/dbraw/zinc/49/98/68/581499868.db2.gz QVNSNDZCQCHWQD-SMDDNHRTSA-N -1 3 332.400 2.567 20 30 EFEDHM C=CCCCCCN(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735408452 598838351 /nfs/dbraw/zinc/83/83/51/598838351.db2.gz LMPUEHDERROBEN-CQSZACIVSA-N -1 3 343.431 2.839 20 30 EFEDHM C#CC[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccn1 ZINC000735374556 598856798 /nfs/dbraw/zinc/85/67/98/598856798.db2.gz DZLKXOZQLDSILR-FLVLSHQESA-N -1 3 345.362 2.583 20 30 EFEDHM C#CC[C@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccn1 ZINC000735374556 598856799 /nfs/dbraw/zinc/85/67/99/598856799.db2.gz DZLKXOZQLDSILR-FLVLSHQESA-N -1 3 345.362 2.583 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC000736309220 598871216 /nfs/dbraw/zinc/87/12/16/598871216.db2.gz MEHOTNRGZHRLLS-ZDUSSCGKSA-N -1 3 335.371 2.555 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC000736309220 598871217 /nfs/dbraw/zinc/87/12/17/598871217.db2.gz MEHOTNRGZHRLLS-ZDUSSCGKSA-N -1 3 335.371 2.555 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC000737707605 598913925 /nfs/dbraw/zinc/91/39/25/598913925.db2.gz ANTZOXKOEARXKI-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC000737707605 598913927 /nfs/dbraw/zinc/91/39/27/598913927.db2.gz ANTZOXKOEARXKI-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cc(NC(=O)C=Cc2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC000737704452 598919277 /nfs/dbraw/zinc/91/92/77/598919277.db2.gz IPHCSSXLLUNTTE-QPJJXVBHSA-N -1 3 334.314 2.529 20 30 EFEDHM N#Cc1cc(NC(=O)C=Cc2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC000737704452 598919278 /nfs/dbraw/zinc/91/92/78/598919278.db2.gz IPHCSSXLLUNTTE-QPJJXVBHSA-N -1 3 334.314 2.529 20 30 EFEDHM C[C@@](C#N)(NC(=O)c1sccc1-c1nnn[n-]1)C1CCCCC1 ZINC000735503578 598969933 /nfs/dbraw/zinc/96/99/33/598969933.db2.gz JTQQOBPJBPWMSO-HNNXBMFYSA-N -1 3 330.417 2.521 20 30 EFEDHM C[C@@](C#N)(NC(=O)c1sccc1-c1nn[n-]n1)C1CCCCC1 ZINC000735503578 598969935 /nfs/dbraw/zinc/96/99/35/598969935.db2.gz JTQQOBPJBPWMSO-HNNXBMFYSA-N -1 3 330.417 2.521 20 30 EFEDHM COc1c(O)cccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821698771 599113574 /nfs/dbraw/zinc/11/35/74/599113574.db2.gz XXESEIRGSCIZQV-BENRWUELSA-N -1 3 348.362 2.793 20 30 EFEDHM COc1c(O)cccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000821698771 599113576 /nfs/dbraw/zinc/11/35/76/599113576.db2.gz XXESEIRGSCIZQV-BENRWUELSA-N -1 3 348.362 2.793 20 30 EFEDHM C=C(Cl)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819729663 599288265 /nfs/dbraw/zinc/28/82/65/599288265.db2.gz KHWFIIPGKFVDBS-UHFFFAOYSA-N -1 3 346.700 2.760 20 30 EFEDHM C=C(Cl)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819729663 599288267 /nfs/dbraw/zinc/28/82/67/599288267.db2.gz KHWFIIPGKFVDBS-UHFFFAOYSA-N -1 3 346.700 2.760 20 30 EFEDHM COc1ccc(CN2CCC(C(=O)[O-])CC2)cc1OCCCC#N ZINC000820832093 598121387 /nfs/dbraw/zinc/12/13/87/598121387.db2.gz CBZHZZPOWBJLRM-UHFFFAOYSA-N -1 3 332.400 2.674 20 30 EFEDHM C=CCN(CC=C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735419584 598276841 /nfs/dbraw/zinc/27/68/41/598276841.db2.gz WMPOGFLTLNQGHJ-UHFFFAOYSA-N -1 3 329.408 2.629 20 30 EFEDHM C=CCN(CC=C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735419584 598276843 /nfs/dbraw/zinc/27/68/43/598276843.db2.gz WMPOGFLTLNQGHJ-UHFFFAOYSA-N -1 3 329.408 2.629 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c(C#N)c2n1CCC2 ZINC000737201696 598377149 /nfs/dbraw/zinc/37/71/49/598377149.db2.gz HHDBJAKOEHRQAQ-TWGQIWQCSA-N -1 3 344.378 2.691 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c(C#N)c2n1CCC2 ZINC000737201696 598377150 /nfs/dbraw/zinc/37/71/50/598377150.db2.gz HHDBJAKOEHRQAQ-TWGQIWQCSA-N -1 3 344.378 2.691 20 30 EFEDHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000736140170 598392257 /nfs/dbraw/zinc/39/22/57/598392257.db2.gz ZJJOEXHXSYFPRD-SECBINFHSA-N -1 3 325.763 2.960 20 30 EFEDHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000736140170 598392258 /nfs/dbraw/zinc/39/22/58/598392258.db2.gz ZJJOEXHXSYFPRD-SECBINFHSA-N -1 3 325.763 2.960 20 30 EFEDHM C#CCOc1cccc([C@H](C)OC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735381346 598434163 /nfs/dbraw/zinc/43/41/63/598434163.db2.gz TWQQDLVUBCIIJO-ZDUSSCGKSA-N -1 3 348.362 2.797 20 30 EFEDHM C#CCOc1cccc([C@H](C)OC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735381346 598434165 /nfs/dbraw/zinc/43/41/65/598434165.db2.gz TWQQDLVUBCIIJO-ZDUSSCGKSA-N -1 3 348.362 2.797 20 30 EFEDHM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000736772239 598494824 /nfs/dbraw/zinc/49/48/24/598494824.db2.gz CTMUQEFCUOTMBX-WMZJFQQLSA-N -1 3 337.358 2.968 20 30 EFEDHM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000736772239 598494825 /nfs/dbraw/zinc/49/48/25/598494825.db2.gz CTMUQEFCUOTMBX-WMZJFQQLSA-N -1 3 337.358 2.968 20 30 EFEDHM C[C@H](CC#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735964321 598667410 /nfs/dbraw/zinc/66/74/10/598667410.db2.gz YEWIEYPPCPCLHX-GFCCVEGCSA-N -1 3 348.366 2.691 20 30 EFEDHM C[C@H](CC#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735964321 598667412 /nfs/dbraw/zinc/66/74/12/598667412.db2.gz YEWIEYPPCPCLHX-GFCCVEGCSA-N -1 3 348.366 2.691 20 30 EFEDHM C=C(Cl)COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735401961 598725165 /nfs/dbraw/zinc/72/51/65/598725165.db2.gz BMKVETZGHSDAOS-UHFFFAOYSA-N -1 3 336.779 2.712 20 30 EFEDHM C=C(Cl)COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735401961 598725167 /nfs/dbraw/zinc/72/51/67/598725167.db2.gz BMKVETZGHSDAOS-UHFFFAOYSA-N -1 3 336.779 2.712 20 30 EFEDHM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)n2c1 ZINC000822280610 607368019 /nfs/dbraw/zinc/36/80/19/607368019.db2.gz TWWKLJBMFCCFMJ-FPLPWBNLSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)n2c1 ZINC000822280610 607368021 /nfs/dbraw/zinc/36/80/21/607368021.db2.gz TWWKLJBMFCCFMJ-FPLPWBNLSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000826251677 607400229 /nfs/dbraw/zinc/40/02/29/607400229.db2.gz XMVUXADGMHZWQA-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000826251677 607400231 /nfs/dbraw/zinc/40/02/31/607400231.db2.gz XMVUXADGMHZWQA-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000736107107 600024466 /nfs/dbraw/zinc/02/44/66/600024466.db2.gz RTXCYYRALZQQEO-UHFFFAOYSA-N -1 3 337.807 2.810 20 30 EFEDHM C=CCN1CCC(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000736107384 600513540 /nfs/dbraw/zinc/51/35/40/600513540.db2.gz WOUHRPLFBVTWPH-UHFFFAOYSA-N -1 3 337.807 2.810 20 30 EFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(CCc3ccccc3)CC2)cc1 ZINC000739106265 600564204 /nfs/dbraw/zinc/56/42/04/600564204.db2.gz RDBMXVDOLLZBLR-HXUWFJFHSA-N -1 3 349.434 2.544 20 30 EFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000736663457 600591166 /nfs/dbraw/zinc/59/11/66/600591166.db2.gz YYBFSHMGHZBYND-KZULUSFZSA-N -1 3 338.363 2.806 20 30 EFEDHM N#Cc1ccc([C@H](NCc2ccccc2Cn2cccn2)C(=O)[O-])cc1 ZINC000739107507 600592475 /nfs/dbraw/zinc/59/24/75/600592475.db2.gz RHWBZGCWVGTULS-IBGZPJMESA-N -1 3 346.390 2.719 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2c(c1)CCO2 ZINC000822923068 607459044 /nfs/dbraw/zinc/45/90/44/607459044.db2.gz NPFPIKOYKOWULU-HWKANZROSA-N -1 3 336.326 2.837 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2c(c1)CCO2 ZINC000822923068 607459045 /nfs/dbraw/zinc/45/90/45/607459045.db2.gz NPFPIKOYKOWULU-HWKANZROSA-N -1 3 336.326 2.837 20 30 EFEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1cc(F)c(F)c(F)c1 ZINC000822740747 607465661 /nfs/dbraw/zinc/46/56/61/607465661.db2.gz NMPNMBWMQCHIFI-UHFFFAOYSA-N -1 3 336.252 2.869 20 30 EFEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cc(F)c(F)c(F)c1 ZINC000822740747 607465663 /nfs/dbraw/zinc/46/56/63/607465663.db2.gz NMPNMBWMQCHIFI-UHFFFAOYSA-N -1 3 336.252 2.869 20 30 EFEDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000826054924 601205180 /nfs/dbraw/zinc/20/51/80/601205180.db2.gz SKJVSVFCHXMYSC-FZKQIMNGSA-N -1 3 337.379 2.548 20 30 EFEDHM Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000832970391 601236678 /nfs/dbraw/zinc/23/66/78/601236678.db2.gz JAYMZHYPFGXKDG-GZBFAFLISA-N -1 3 328.368 2.533 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000827718117 601297203 /nfs/dbraw/zinc/29/72/03/601297203.db2.gz OWVLVBWJRQGOQT-SGTLLEGYSA-N -1 3 338.363 2.806 20 30 EFEDHM N#Cc1cccc([C@@H](NCc2ccc(N3CCCC3=O)cc2)C(=O)[O-])c1 ZINC000833074612 601298882 /nfs/dbraw/zinc/29/88/82/601298882.db2.gz BOAKXYJOWJOZHP-LJQANCHMSA-N -1 3 349.390 2.601 20 30 EFEDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832310912 601310534 /nfs/dbraw/zinc/31/05/34/601310534.db2.gz KXTYJOZAGMWOTH-KRWDZBQOSA-N -1 3 328.343 2.964 20 30 EFEDHM CCC(CC)(CC(=O)[O-])NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000828805019 602211977 /nfs/dbraw/zinc/21/19/77/602211977.db2.gz YLEMKRAXFYGJAM-UHFFFAOYSA-N -1 3 328.372 2.731 20 30 EFEDHM CC(C)[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000736359587 602479231 /nfs/dbraw/zinc/47/92/31/602479231.db2.gz HTMSPKLTCOOQDQ-BXKDBHETSA-N -1 3 335.360 2.904 20 30 EFEDHM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2ccc(C#N)cc2)c1 ZINC000832040937 604456564 /nfs/dbraw/zinc/45/65/64/604456564.db2.gz MCZKQZNTNODIDC-GOSISDBHSA-N -1 3 340.379 2.833 20 30 EFEDHM C#CCN1CCC(C(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833364082 604572863 /nfs/dbraw/zinc/57/28/63/604572863.db2.gz DRIYJXZDCFSNOG-UHFFFAOYSA-N -1 3 346.452 2.537 20 30 EFEDHM Cc1ccn(-c2ccccc2CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000832983452 604645726 /nfs/dbraw/zinc/64/57/26/604645726.db2.gz GQUWYRCDTRNWNK-LJQANCHMSA-N -1 3 346.390 2.968 20 30 EFEDHM Cc1ccn(-c2ccccc2CN[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832983818 604646165 /nfs/dbraw/zinc/64/61/65/604646165.db2.gz PNGNYLNGPCSOQB-IBGZPJMESA-N -1 3 346.390 2.968 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CN[C@@H](C(=O)[O-])c2cccnc2)c1 ZINC000828587883 605001844 /nfs/dbraw/zinc/00/18/44/605001844.db2.gz YJURUFIXXQPNDD-DOTOQJQBSA-N -1 3 325.368 2.678 20 30 EFEDHM C=CCC[C@H](NCC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000833373047 605144635 /nfs/dbraw/zinc/14/46/35/605144635.db2.gz DNSNKLGZVLVVAT-KRWDZBQOSA-N -1 3 330.428 2.607 20 30 EFEDHM C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833369333 605179194 /nfs/dbraw/zinc/17/91/94/605179194.db2.gz ROUDCYLCEIUMPH-KRWDZBQOSA-N -1 3 332.444 2.853 20 30 EFEDHM CC1=C(C(=O)[O-])C[C@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)O1 ZINC000833585955 605335518 /nfs/dbraw/zinc/33/55/18/605335518.db2.gz WAQOGOOAINGSBN-QGZVFWFLSA-N -1 3 342.395 2.549 20 30 EFEDHM C[C@H](OC(=O)C1(C#N)CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488514 606344032 /nfs/dbraw/zinc/34/40/32/606344032.db2.gz OYAIUJPDVIQGGC-LBPRGKRZSA-N -1 3 325.372 2.945 20 30 EFEDHM C[C@H](OC(=O)C1(C#N)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488514 606344034 /nfs/dbraw/zinc/34/40/34/606344034.db2.gz OYAIUJPDVIQGGC-LBPRGKRZSA-N -1 3 325.372 2.945 20 30 EFEDHM C[C@H](OC(=O)Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495587 606347597 /nfs/dbraw/zinc/34/75/97/606347597.db2.gz IITFQJCKXHMBPI-LBPRGKRZSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@H](OC(=O)Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495587 606347599 /nfs/dbraw/zinc/34/75/99/606347599.db2.gz IITFQJCKXHMBPI-LBPRGKRZSA-N -1 3 333.351 2.585 20 30 EFEDHM C[C@@H](OC(=O)c1sccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820518634 606350967 /nfs/dbraw/zinc/35/09/67/606350967.db2.gz IBSXLJRNBYMRCZ-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](OC(=O)c1sccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820518634 606350969 /nfs/dbraw/zinc/35/09/69/606350969.db2.gz IBSXLJRNBYMRCZ-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC1CCC1 ZINC000819743769 606537391 /nfs/dbraw/zinc/53/73/91/606537391.db2.gz PVXHANYQHZOYQX-UHFFFAOYSA-N -1 3 325.416 2.962 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC1CCC1 ZINC000819743769 606537393 /nfs/dbraw/zinc/53/73/93/606537393.db2.gz PVXHANYQHZOYQX-UHFFFAOYSA-N -1 3 325.416 2.962 20 30 EFEDHM N#Cc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822842542 606589541 /nfs/dbraw/zinc/58/95/41/606589541.db2.gz NFFSKUUDAUGJNK-UHFFFAOYSA-N -1 3 343.293 2.919 20 30 EFEDHM N#Cc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822842542 606589543 /nfs/dbraw/zinc/58/95/43/606589543.db2.gz NFFSKUUDAUGJNK-UHFFFAOYSA-N -1 3 343.293 2.919 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1-c1nnn[n-]1 ZINC000822829664 606850253 /nfs/dbraw/zinc/85/02/53/606850253.db2.gz COMNWMJXHUAXTP-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(F)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC000822829664 606850254 /nfs/dbraw/zinc/85/02/54/606850254.db2.gz COMNWMJXHUAXTP-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM C#CCCCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819692332 606931839 /nfs/dbraw/zinc/93/18/39/606931839.db2.gz CREWXVWZIHTATG-UHFFFAOYSA-N -1 3 334.836 2.610 20 30 EFEDHM C#CCCCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819692332 606931840 /nfs/dbraw/zinc/93/18/40/606931840.db2.gz CREWXVWZIHTATG-UHFFFAOYSA-N -1 3 334.836 2.610 20 30 EFEDHM CN(C(=O)c1sccc1-c1nnn[n-]1)c1cc(Cl)ccc1C#N ZINC000821574691 606961564 /nfs/dbraw/zinc/96/15/64/606961564.db2.gz SGFQKQQMTXDUHI-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1sccc1-c1nn[n-]n1)c1cc(Cl)ccc1C#N ZINC000821574691 606961566 /nfs/dbraw/zinc/96/15/66/606961566.db2.gz SGFQKQQMTXDUHI-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1cc(C#N)cs1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573551 606962827 /nfs/dbraw/zinc/96/28/27/606962827.db2.gz VIWLRECIQBLYOE-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1cc(C#N)cs1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573551 606962831 /nfs/dbraw/zinc/96/28/31/606962831.db2.gz VIWLRECIQBLYOE-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM C=CCC(CC=C)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000819734315 607004596 /nfs/dbraw/zinc/00/45/96/607004596.db2.gz LQVPUWJJMCRYBH-UHFFFAOYSA-N -1 3 337.383 2.931 20 30 EFEDHM C=CCC(CC=C)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000819734315 607004598 /nfs/dbraw/zinc/00/45/98/607004598.db2.gz LQVPUWJJMCRYBH-UHFFFAOYSA-N -1 3 337.383 2.931 20 30 EFEDHM Fc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c2ncccc12 ZINC000822766999 607037063 /nfs/dbraw/zinc/03/70/63/607037063.db2.gz SENPZQBAJIQDEO-UHFFFAOYSA-N -1 3 333.330 3.000 20 30 EFEDHM Fc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c2ncccc12 ZINC000822766999 607037065 /nfs/dbraw/zinc/03/70/65/607037065.db2.gz SENPZQBAJIQDEO-UHFFFAOYSA-N -1 3 333.330 3.000 20 30 EFEDHM N#Cc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822837853 607243837 /nfs/dbraw/zinc/24/38/37/607243837.db2.gz VOKZNALQYCRRAD-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822837853 607243838 /nfs/dbraw/zinc/24/38/38/607243838.db2.gz VOKZNALQYCRRAD-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM C=CCC[C@@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823894890 607780226 /nfs/dbraw/zinc/78/02/26/607780226.db2.gz ZDVZRWKRNGDEEN-BLLLJJGKSA-N -1 3 342.399 2.922 20 30 EFEDHM CC(C)(C)SCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824124234 607829504 /nfs/dbraw/zinc/82/95/04/607829504.db2.gz RDBIASMATHJVFP-UHFFFAOYSA-N -1 3 344.444 2.989 20 30 EFEDHM CC(C)(C)SCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824124234 607829505 /nfs/dbraw/zinc/82/95/05/607829505.db2.gz RDBIASMATHJVFP-UHFFFAOYSA-N -1 3 344.444 2.989 20 30 EFEDHM N#Cc1ccc(Cl)cc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826385745 607877581 /nfs/dbraw/zinc/87/75/81/607877581.db2.gz YXLGRJZLWXMFFT-AWEZNQCLSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1ccc(Cl)cc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826385745 607877582 /nfs/dbraw/zinc/87/75/82/607877582.db2.gz YXLGRJZLWXMFFT-AWEZNQCLSA-N -1 3 341.758 2.504 20 30 EFEDHM C=CCCOCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823899111 607934822 /nfs/dbraw/zinc/93/48/22/607934822.db2.gz LZMRRHQYQHZKPO-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=CCCOCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823899111 607934823 /nfs/dbraw/zinc/93/48/23/607934823.db2.gz LZMRRHQYQHZKPO-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM COc1ccc(COc2c(C)cc(C#N)cc2C)cc1-c1nnn[n-]1 ZINC000826207040 607972647 /nfs/dbraw/zinc/97/26/47/607972647.db2.gz XSKVFPBQXKVBNV-UHFFFAOYSA-N -1 3 335.367 2.943 20 30 EFEDHM COc1ccc(COc2c(C)cc(C#N)cc2C)cc1-c1nn[n-]n1 ZINC000826207040 607972648 /nfs/dbraw/zinc/97/26/48/607972648.db2.gz XSKVFPBQXKVBNV-UHFFFAOYSA-N -1 3 335.367 2.943 20 30 EFEDHM C=CCCOCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000823899165 608051322 /nfs/dbraw/zinc/05/13/22/608051322.db2.gz OCDXKQHCUBILBS-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000826384361 608092959 /nfs/dbraw/zinc/09/29/59/608092959.db2.gz SAKJFRAWQZNJEZ-HWKANZROSA-N -1 3 325.328 2.835 20 30 EFEDHM N#Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000826384361 608092960 /nfs/dbraw/zinc/09/29/60/608092960.db2.gz SAKJFRAWQZNJEZ-HWKANZROSA-N -1 3 325.328 2.835 20 30 EFEDHM C[C@H](OC(=O)C1(C#N)CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824713718 608181989 /nfs/dbraw/zinc/18/19/89/608181989.db2.gz KFDFWQLJUJSAQO-LBPRGKRZSA-N -1 3 325.372 2.945 20 30 EFEDHM C[C@H](OC(=O)C1(C#N)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824713718 608181991 /nfs/dbraw/zinc/18/19/91/608181991.db2.gz KFDFWQLJUJSAQO-LBPRGKRZSA-N -1 3 325.372 2.945 20 30 EFEDHM C[C@@H](OC(=O)c1sccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824731764 608183603 /nfs/dbraw/zinc/18/36/03/608183603.db2.gz YIGDNBGPPAOODX-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](OC(=O)c1sccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824731764 608183604 /nfs/dbraw/zinc/18/36/04/608183604.db2.gz YIGDNBGPPAOODX-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825965679 608272127 /nfs/dbraw/zinc/27/21/27/608272127.db2.gz BVEUKAKIPMHRTB-UHFFFAOYSA-N -1 3 345.410 2.649 20 30 EFEDHM CN(Cc1ccc(C#N)cc1)c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000825965679 608272128 /nfs/dbraw/zinc/27/21/28/608272128.db2.gz BVEUKAKIPMHRTB-UHFFFAOYSA-N -1 3 345.410 2.649 20 30 EFEDHM Cc1ccc(F)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826289031 608539197 /nfs/dbraw/zinc/53/91/97/608539197.db2.gz HKQVSHRNJOHMPD-UHFFFAOYSA-N -1 3 331.742 2.809 20 30 EFEDHM C=CCN(Cc1cnn(CCC)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914938 608632173 /nfs/dbraw/zinc/63/21/73/608632173.db2.gz PJEJXFJRYWVEFY-UHFFFAOYSA-N -1 3 337.431 2.661 20 30 EFEDHM Cc1cccc2c1OCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826305488 608876884 /nfs/dbraw/zinc/87/68/84/608876884.db2.gz YIJYHAAKFBPCIY-KPKJPENVSA-N -1 3 336.326 2.973 20 30 EFEDHM Cc1cccc2c1OCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826305488 608876887 /nfs/dbraw/zinc/87/68/87/608876887.db2.gz YIJYHAAKFBPCIY-KPKJPENVSA-N -1 3 336.326 2.973 20 30 EFEDHM O=C1c2cccc(F)c2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475761 608878431 /nfs/dbraw/zinc/87/84/31/608878431.db2.gz PJUBTBVYFRSDTM-POHAHGRESA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cccc(F)c2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475761 608878435 /nfs/dbraw/zinc/87/84/35/608878435.db2.gz PJUBTBVYFRSDTM-POHAHGRESA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cccc(O)c2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475272 608881547 /nfs/dbraw/zinc/88/15/47/608881547.db2.gz ARUFJHOGYDTRNB-DHZHZOJOSA-N -1 3 336.326 2.924 20 30 EFEDHM O=C1c2cccc(O)c2CCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475272 608881548 /nfs/dbraw/zinc/88/15/48/608881548.db2.gz ARUFJHOGYDTRNB-DHZHZOJOSA-N -1 3 336.326 2.924 20 30 EFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)nc1 ZINC000826401111 608884416 /nfs/dbraw/zinc/88/44/16/608884416.db2.gz PZUVDKKOHZRZCP-GORDUTHDSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)nc1 ZINC000826401111 608884418 /nfs/dbraw/zinc/88/44/18/608884418.db2.gz PZUVDKKOHZRZCP-GORDUTHDSA-N -1 3 329.722 2.950 20 30 EFEDHM C[C@H](NCc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824612234 609151984 /nfs/dbraw/zinc/15/19/84/609151984.db2.gz LFTOUDCNFSSYJP-JTQLQIEISA-N -1 3 340.337 2.867 20 30 EFEDHM C[C@H](NCc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824612234 609151986 /nfs/dbraw/zinc/15/19/86/609151986.db2.gz LFTOUDCNFSSYJP-JTQLQIEISA-N -1 3 340.337 2.867 20 30 EFEDHM Cc1nc(Cl)cc(N=NC(C)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000823958416 609277282 /nfs/dbraw/zinc/27/72/82/609277282.db2.gz MWSDEHJXNFQMRH-UHFFFAOYSA-N -1 3 346.757 2.594 20 30 EFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824000038 609370598 /nfs/dbraw/zinc/37/05/98/609370598.db2.gz RPKXJNQDRQFWFM-DHZHZOJOSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000824000038 609370600 /nfs/dbraw/zinc/37/06/00/609370600.db2.gz RPKXJNQDRQFWFM-DHZHZOJOSA-N -1 3 333.351 2.721 20 30 EFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C#N)c1F ZINC000825480803 609478147 /nfs/dbraw/zinc/47/81/47/609478147.db2.gz LTTFXFLDROEHMF-UHFFFAOYSA-N -1 3 337.362 2.921 20 30 EFEDHM C=CCOCCNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC000823925904 609573817 /nfs/dbraw/zinc/57/38/17/609573817.db2.gz QKONDADDDLAVLP-UHFFFAOYSA-N -1 3 349.398 2.591 20 30 EFEDHM C=CCOCCNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC000823925904 609573819 /nfs/dbraw/zinc/57/38/19/609573819.db2.gz QKONDADDDLAVLP-UHFFFAOYSA-N -1 3 349.398 2.591 20 30 EFEDHM N#Cc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826384941 609613200 /nfs/dbraw/zinc/61/32/00/609613200.db2.gz QGAFERDDNNULBO-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826384941 609613202 /nfs/dbraw/zinc/61/32/02/609613202.db2.gz QGAFERDDNNULBO-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000826250426 609626080 /nfs/dbraw/zinc/62/60/80/609626080.db2.gz ANRIEHFZAKFLEN-GFCCVEGCSA-N -1 3 348.366 2.718 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000826250426 609626082 /nfs/dbraw/zinc/62/60/82/609626082.db2.gz ANRIEHFZAKFLEN-GFCCVEGCSA-N -1 3 348.366 2.718 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788627178 1276246706 /nfs/dbraw/zinc/24/67/06/1276246706.db2.gz PLBGEOFAUVYARP-ZETCQYMHSA-N -1 3 337.850 2.739 20 30 EFEDHM CCOC1(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCC1 ZINC000851552088 1251081059 /nfs/dbraw/zinc/08/10/59/1251081059.db2.gz SQHXCVTYKBZLDX-UHFFFAOYSA-N -1 3 332.400 2.711 20 30 EFEDHM C[C@@]1(CNc2ccc(C#N)cn2)CCN(C(=O)c2ccccc2[O-])C1 ZINC001065390246 1265631428 /nfs/dbraw/zinc/63/14/28/1265631428.db2.gz QLFSASYSRNEQCZ-IBGZPJMESA-N -1 3 336.395 2.623 20 30 EFEDHM C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001272724780 1253075340 /nfs/dbraw/zinc/07/53/40/1253075340.db2.gz PMJDXSMXRACOMC-CYBMUJFWSA-N -1 3 336.382 2.575 20 30 EFEDHM C[C@@H](Nc1ncccc1C#N)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065656080 1265912359 /nfs/dbraw/zinc/91/23/59/1265912359.db2.gz WTZAISSOIOBYHX-UKRRQHHQSA-N -1 3 336.395 2.622 20 30 EFEDHM C=CCCC1(C(=O)NC/C=C\CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107495960 1255978032 /nfs/dbraw/zinc/97/80/32/1255978032.db2.gz OPKCVMRFNCXULY-PLNGDYQASA-N -1 3 346.387 2.526 20 30 EFEDHM C#CCCCCCC(=O)NCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001077741275 1256937031 /nfs/dbraw/zinc/93/70/31/1256937031.db2.gz YFXQJUKFARUQEN-HNNXBMFYSA-N -1 3 330.428 2.601 20 30 EFEDHM C=CCCCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065861822 1266238529 /nfs/dbraw/zinc/23/85/29/1266238529.db2.gz AKWJWTVZZLDIDJ-HNNXBMFYSA-N -1 3 330.428 2.859 20 30 EFEDHM C=CCCCC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001062330598 1260437609 /nfs/dbraw/zinc/43/76/09/1260437609.db2.gz MZKAIQYUZRJJLQ-OAHLLOKOSA-N -1 3 330.428 2.859 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC001062883031 1262085006 /nfs/dbraw/zinc/08/50/06/1262085006.db2.gz GRNYKEHXQYJSLZ-ZDUSSCGKSA-N -1 3 339.370 2.754 20 30 EFEDHM COc1ccccc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000007674071 1263160467 /nfs/dbraw/zinc/16/04/67/1263160467.db2.gz MNXOBIBXJXEOJK-UHFFFAOYSA-N -1 3 340.379 2.548 20 30 EFEDHM O=C(c1ccccc1[O-])N1C[C@H]2CCN(CC#Cc3ccccc3)C[C@H]21 ZINC001084196794 1263698396 /nfs/dbraw/zinc/69/83/96/1263698396.db2.gz WGBGTVVFFOYKRM-UYAOXDASSA-N -1 3 346.430 2.590 20 30 EFEDHM CC(C)(C)C#CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066156289 1266657386 /nfs/dbraw/zinc/65/73/86/1266657386.db2.gz YLNAELZXHJRDFH-HNNXBMFYSA-N -1 3 342.439 2.553 20 30 EFEDHM N#Cc1c(F)cccc1N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001061294620 1265024054 /nfs/dbraw/zinc/02/40/54/1265024054.db2.gz KAFSLAGBJZFJPO-ZDUSSCGKSA-N -1 3 339.370 2.802 20 30 EFEDHM N#Cc1cnccc1N1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001066109136 1266587444 /nfs/dbraw/zinc/58/74/44/1266587444.db2.gz CYEAPAPJOIQKNX-ZWKOTPCHSA-N -1 3 348.406 2.542 20 30 EFEDHM C=CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccncc1 ZINC000734504534 1266997476 /nfs/dbraw/zinc/99/74/76/1266997476.db2.gz RJAVKUACSBMRON-CQSZACIVSA-N -1 3 347.396 2.894 20 30 EFEDHM N#Cc1ccc([C@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C(N)=O)cc1 ZINC000734570242 1267017152 /nfs/dbraw/zinc/01/71/52/1267017152.db2.gz NBNSWTRELQBPFJ-NSHDSACASA-N -1 3 338.150 2.577 20 30 EFEDHM CN(C[C@@H]1CCN1Cc1ccc(C#N)s1)C(=O)c1ccccc1[O-] ZINC001085489392 1267630917 /nfs/dbraw/zinc/63/09/17/1267630917.db2.gz XTXLJKQTSQNWNG-ZDUSSCGKSA-N -1 3 341.436 2.672 20 30 EFEDHM Cc1nc(C)c(CC(=O)OCC#Cc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000749194158 1268107203 /nfs/dbraw/zinc/10/72/03/1268107203.db2.gz XEOFMSQXIJEPBM-UHFFFAOYSA-N -1 3 330.771 2.590 20 30 EFEDHM CC(C)CO[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)C1(C)C ZINC000737430331 1269477638 /nfs/dbraw/zinc/47/76/38/1269477638.db2.gz PNHGNLKECQSGKN-MRXNPFEDSA-N -1 3 338.473 2.933 20 30 EFEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1C1CC1 ZINC000744028272 1270836490 /nfs/dbraw/zinc/83/64/90/1270836490.db2.gz JMKGJGXVNMYXFP-NSHDSACASA-N -1 3 342.786 2.912 20 30 EFEDHM C#C[C@H](C)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000744177908 1270916214 /nfs/dbraw/zinc/91/62/14/1270916214.db2.gz FWODHPJSBHZFLL-LBPRGKRZSA-N -1 3 347.367 2.805 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)C1CCCC1 ZINC000744590359 1271094098 /nfs/dbraw/zinc/09/40/98/1271094098.db2.gz UFZVRNBZZCXHCI-UHFFFAOYSA-N -1 3 330.384 2.511 20 30 EFEDHM O=C1CN(N=Cc2cccc(OCc3ccccc3Cl)c2)C(=O)[N-]1 ZINC000744810145 1271179090 /nfs/dbraw/zinc/17/90/90/1271179090.db2.gz MFIPUTZZKJLZSV-UHFFFAOYSA-N -1 3 343.770 2.805 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)ccc1[O-] ZINC001143649792 1278633093 /nfs/dbraw/zinc/63/30/93/1278633093.db2.gz VXFMFEBMUZZODU-CQSZACIVSA-N -1 3 336.269 2.955 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001005730863 1273050441 /nfs/dbraw/zinc/05/04/41/1273050441.db2.gz NYSRVTILCLXPRJ-CYBMUJFWSA-N -1 3 330.428 2.571 20 30 EFEDHM Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(NCc2ncccc2[O-])n1 ZINC001169730628 1273140441 /nfs/dbraw/zinc/14/04/41/1273140441.db2.gz FGOJORFJCVGSQE-VZNRXUTRSA-N -1 3 346.456 2.984 20 30 EFEDHM C[C@@H](CN(C)c1ncc(C#N)cc1Cl)NC(=O)c1ccccc1[O-] ZINC001108866670 1273566494 /nfs/dbraw/zinc/56/64/94/1273566494.db2.gz ABLJOUAHCGEPME-NSHDSACASA-N -1 3 344.802 2.567 20 30 EFEDHM Cc1cc(C)cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000746491956 1273740763 /nfs/dbraw/zinc/74/07/63/1273740763.db2.gz MKYMTRSYFYDETN-UHFFFAOYSA-N -1 3 347.396 2.665 20 30 EFEDHM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1ccc([O-])cc1F ZINC001206044299 1278923129 /nfs/dbraw/zinc/92/31/29/1278923129.db2.gz IQWAMLQTBCZYIK-LBPRGKRZSA-N -1 3 329.331 2.937 20 30 EFEDHM N#Cc1ccc(N2CC[C@H](OC(=O)c3cc4occc4[n-]3)C2=O)cc1 ZINC000786033823 1275281110 /nfs/dbraw/zinc/28/11/10/1275281110.db2.gz UGSHJBSEJVIUQD-HNNXBMFYSA-N -1 3 335.319 2.595 20 30 EFEDHM C[C@@](C#N)(NC(=O)COC(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC000786131124 1275319631 /nfs/dbraw/zinc/31/96/31/1275319631.db2.gz LIVZEKYXLMNQLG-KRWDZBQOSA-N -1 3 344.392 2.572 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1nnc2ccccc2c1[O-] ZINC000787841667 1275937554 /nfs/dbraw/zinc/93/75/54/1275937554.db2.gz AYFYTJQAMUOLAM-OAHLLOKOSA-N -1 3 330.347 2.624 20 30 EFEDHM Cc1nsc(N[C@@H](C)[C@H](C)NC(=O)c2ccccc2[O-])c1C#N ZINC001112911348 1276232197 /nfs/dbraw/zinc/23/21/97/1276232197.db2.gz ONYHQDJMLCJUPY-UWVGGRQHSA-N -1 3 330.413 2.648 20 30 EFEDHM C=C[C@H](C)[C@@H](C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062570346 1276272425 /nfs/dbraw/zinc/27/24/25/1276272425.db2.gz VLIBIZDGRJEIEJ-UONOGXRCSA-N -1 3 330.428 2.619 20 30 EFEDHM CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001086575120 1276774656 /nfs/dbraw/zinc/77/46/56/1276774656.db2.gz APLWMVRJWFETJL-RBUKOAKNSA-N -1 3 334.419 2.613 20 30 EFEDHM C=CCC[C@@H](C)N1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC001113078505 1276840816 /nfs/dbraw/zinc/84/08/16/1276840816.db2.gz LDTZQISBHPVZPS-OAHLLOKOSA-N -1 3 339.439 2.641 20 30 EFEDHM C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000819985801 1276980353 /nfs/dbraw/zinc/98/03/53/1276980353.db2.gz PFCSBLPLDDVCOV-UHFFFAOYSA-N -1 3 348.399 2.567 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1CCc1ccccc1 ZINC000820475877 1277188067 /nfs/dbraw/zinc/18/80/67/1277188067.db2.gz BUAZBJPDRICJBB-GOSISDBHSA-N -1 3 338.407 2.582 20 30 EFEDHM O=C(Cc1csc2ccc(Cl)cc12)N[C@@H]1CCCN([O-])C1=O ZINC000820477200 1277188461 /nfs/dbraw/zinc/18/84/61/1277188461.db2.gz VSVWVHLETBXTAN-GFCCVEGCSA-N -1 3 338.816 2.594 20 30 EFEDHM C/C(=C/C(=O)N[C@@H]1CCCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000820477294 1277188781 /nfs/dbraw/zinc/18/87/81/1277188781.db2.gz WXHLPMDMOCGCFC-CHOZFAJLSA-N -1 3 342.317 2.605 20 30 EFEDHM Cc1cccc(Oc2ccccc2C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000820476498 1277188955 /nfs/dbraw/zinc/18/89/55/1277188955.db2.gz MHAHOBRBVWUDKQ-MRXNPFEDSA-N -1 3 340.379 2.897 20 30 EFEDHM CCOc1cc(CN=Nc2nc3ccccn3n2)cc(Cl)c1[O-] ZINC000790200427 1277345099 /nfs/dbraw/zinc/34/50/99/1277345099.db2.gz VYOLGOLBYUIBEF-UHFFFAOYSA-N -1 3 331.763 2.933 20 30 EFEDHM N#CC1(c2ccccc2)CCC([NH2+]CCCCP(=O)([O-])[O-])CC1 ZINC001170367546 1279042330 /nfs/dbraw/zinc/04/23/30/1279042330.db2.gz JNGKCRBHZPESRQ-UHFFFAOYSA-N -1 3 336.372 2.938 20 30 EFEDHM CO[C@H]1CCOc2c(N=Cc3c([O-])c(C)ncc3CO)cccc21 ZINC000790597814 1277670803 /nfs/dbraw/zinc/67/08/03/1277670803.db2.gz GFRNGMCOOKXWMN-INIZCTEOSA-N -1 3 328.368 2.809 20 30 EFEDHM CN(CC(C)(C)CNc1ncccc1C#N)C(=O)c1ccccc1[O-] ZINC001113406512 1277772783 /nfs/dbraw/zinc/77/27/83/1277772783.db2.gz OMDHKMALUGKVED-UHFFFAOYSA-N -1 3 338.411 2.869 20 30 EFEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1cccc(Cl)n1 ZINC000793181254 1279428773 /nfs/dbraw/zinc/42/87/73/1279428773.db2.gz NRYRNXZCGPIEHJ-UHFFFAOYSA-N -1 3 335.682 2.551 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccnc(Br)c2)c1 ZINC000815233451 1287378182 /nfs/dbraw/zinc/37/81/82/1287378182.db2.gz KPXZZGYGYOEIMT-UHFFFAOYSA-N -1 3 333.141 2.778 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000846156875 1280040945 /nfs/dbraw/zinc/04/09/45/1280040945.db2.gz ZABFIVPKROAWGP-UONOGXRCSA-N -1 3 345.443 2.608 20 30 EFEDHM C=C(C)CO[N-]C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000846541326 1280235985 /nfs/dbraw/zinc/23/59/85/1280235985.db2.gz SVZISBJROYFQIM-UHFFFAOYSA-N -1 3 347.440 2.832 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000846545518 1280239989 /nfs/dbraw/zinc/23/99/89/1280239989.db2.gz HDBAFMHSQQFWKU-NEPJUHHUSA-N -1 3 332.429 2.530 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000846545525 1280240301 /nfs/dbraw/zinc/24/03/01/1280240301.db2.gz HDBAFMHSQQFWKU-VXGBXAGGSA-N -1 3 332.429 2.530 20 30 EFEDHM C=C(C)CO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000846536868 1280251444 /nfs/dbraw/zinc/25/14/44/1280251444.db2.gz DEZTVVIXXPVXCU-UHFFFAOYSA-N -1 3 329.150 2.524 20 30 EFEDHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000846538067 1280252303 /nfs/dbraw/zinc/25/23/03/1280252303.db2.gz MXORWOSCFQCDRA-ZDUSSCGKSA-N -1 3 335.379 2.694 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc2ccccc2s1 ZINC000805006174 1280426306 /nfs/dbraw/zinc/42/63/06/1280426306.db2.gz YRTLADSHXRFVMY-VIFPVBQESA-N -1 3 333.394 2.800 20 30 EFEDHM Cc1noc([N-]C(=O)c2sc(-c3ccccn3)nc2C)c1C#N ZINC001147945126 1281372625 /nfs/dbraw/zinc/37/26/25/1281372625.db2.gz VULKXENJCBRWGC-UHFFFAOYSA-N -1 3 325.353 2.934 20 30 EFEDHM CCCC1N=NC(=S)N1N=Cc1cc(Br)ccc1[O-] ZINC000808007623 1281492430 /nfs/dbraw/zinc/49/24/30/1281492430.db2.gz HOZUFVQVEAICCE-UHFFFAOYSA-N -1 3 341.234 2.870 20 30 EFEDHM C[C@@H](C#N)c1cccc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c1 ZINC001148623836 1281684041 /nfs/dbraw/zinc/68/40/41/1281684041.db2.gz GOLWQBUVIGEQMF-JTQLQIEISA-N -1 3 334.335 2.920 20 30 EFEDHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C(C)(C)CCC#N)cc1 ZINC001148912154 1281806266 /nfs/dbraw/zinc/80/62/66/1281806266.db2.gz FSCHNMAGURWOAO-UHFFFAOYSA-N -1 3 340.427 2.978 20 30 EFEDHM COc1cccc2c(C(=O)OCc3ccc(F)cc3C#N)n[n-]c21 ZINC000808672131 1281856124 /nfs/dbraw/zinc/85/61/24/1281856124.db2.gz DQOLRNSNTXKMFI-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM COc1cccc2c(C(=O)OCc3ccc(F)cc3C#N)[n-]nc21 ZINC000808672131 1281856130 /nfs/dbraw/zinc/85/61/30/1281856130.db2.gz DQOLRNSNTXKMFI-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM COc1cccc2c(C(=O)OCCCC3(C#N)CCOCC3)n[n-]c21 ZINC000808673025 1281858306 /nfs/dbraw/zinc/85/83/06/1281858306.db2.gz JSHGVVDIYRZHCZ-UHFFFAOYSA-N -1 3 343.383 2.829 20 30 EFEDHM COc1cccc2c1n[n-]c2C(=O)OCCCC1(C#N)CCOCC1 ZINC000808673025 1281858311 /nfs/dbraw/zinc/85/83/11/1281858311.db2.gz JSHGVVDIYRZHCZ-UHFFFAOYSA-N -1 3 343.383 2.829 20 30 EFEDHM COc1cccc2c(C(=O)OCc3cccc(C#N)c3F)n[n-]c21 ZINC000808673980 1281859550 /nfs/dbraw/zinc/85/95/50/1281859550.db2.gz LSCDFAXBFXHLSP-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM COc1cccc2c(C(=O)OCc3cccc(C#N)c3F)[n-]nc21 ZINC000808673980 1281859557 /nfs/dbraw/zinc/85/95/57/1281859557.db2.gz LSCDFAXBFXHLSP-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001171366347 1282106726 /nfs/dbraw/zinc/10/67/26/1282106726.db2.gz 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C#C[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(Cl)cc1 ZINC000811627622 1284443975 /nfs/dbraw/zinc/44/39/75/1284443975.db2.gz VULXECWMMZGHKC-YTBHAWNYSA-N -1 3 336.778 2.915 20 30 EFEDHM COc1ccc(C=NNC[C@@H]2CCSC2)c(Br)c1[O-] ZINC000811659785 1284490175 /nfs/dbraw/zinc/49/01/75/1284490175.db2.gz YLWYOHWDFQTQIW-VIFPVBQESA-N -1 3 345.262 2.840 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811900735 1284738800 /nfs/dbraw/zinc/73/88/00/1284738800.db2.gz DWJFRIUGWZKWEU-OLZOCXBDSA-N -1 3 349.397 2.831 20 30 EFEDHM N#Cc1c(CO[N-]C(=O)CCOc2ccccc2)cn2ccccc12 ZINC000747836381 1285638101 /nfs/dbraw/zinc/63/81/01/1285638101.db2.gz WAVOPFYCUFABGY-UHFFFAOYSA-N -1 3 335.363 2.828 20 30 EFEDHM Cn1cc(C=NOCc2ccc(F)cc2Br)c(=O)[n-]1 ZINC000814227519 1286424849 /nfs/dbraw/zinc/42/48/49/1286424849.db2.gz ISMBIMZZEUPTMD-UHFFFAOYSA-N -1 3 328.141 2.578 20 30 EFEDHM C=CCC(C)(C)C(=O)N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001095249518 1286751242 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O=C(CC1CCC(c2ccccc2)CC1)N[C@H]1CCCN([O-])C1=O ZINC000816754467 1288263647 /nfs/dbraw/zinc/26/36/47/1288263647.db2.gz FOQVJPQAKGZQPK-PREGVCBESA-N -1 3 330.428 2.847 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000816753751 1288263662 /nfs/dbraw/zinc/26/36/62/1288263662.db2.gz OMRBGTIEHSSXOU-CQSZACIVSA-N -1 3 336.819 2.648 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc(Oc2ccccc2)c1 ZINC000816757635 1288265317 /nfs/dbraw/zinc/26/53/17/1288265317.db2.gz XXJWZENCNZYLDJ-INIZCTEOSA-N -1 3 326.352 2.589 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2c(ccc(Cl)c2Cl)[nH]1 ZINC000816756942 1288266457 /nfs/dbraw/zinc/26/64/57/1288266457.db2.gz IUHHBOMGMHLAOG-SNVBAGLBSA-N -1 3 342.182 2.585 20 30 EFEDHM C[C@@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816757002 1288266480 /nfs/dbraw/zinc/26/64/80/1288266480.db2.gz KDKRRORKHHUMED-GXFFZTMASA-N -1 3 344.333 2.695 20 30 EFEDHM N#Cc1cc(NC(=O)C2(Cc3cccnc3)CCOCC2)ccc1[O-] ZINC001177202496 1288307626 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C=CCN(Cc1cc(Cl)c(C)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000824604679 1289723055 /nfs/dbraw/zinc/72/30/55/1289723055.db2.gz BMZMENGDPRGEJP-CYBMUJFWSA-N -1 3 329.849 2.529 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000956198211 1289875652 /nfs/dbraw/zinc/87/56/52/1289875652.db2.gz OTBGFGGCAGDBHG-IFXJQAMLSA-N -1 3 330.428 2.715 20 30 EFEDHM N#Cc1ccc([O-])c(CN2CCN(CCc3cccs3)CC2)c1 ZINC001232679868 1312760950 /nfs/dbraw/zinc/76/09/50/1312760950.db2.gz UJVBNRBQBJCFTC-UHFFFAOYSA-N -1 3 327.453 2.686 20 30 EFEDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1cc(C#N)ccc1[O-] ZINC001232681008 1312761047 /nfs/dbraw/zinc/76/10/47/1312761047.db2.gz JTXPVCOYCYNPRG-DOMZBBRYSA-N -1 3 331.416 2.751 20 30 EFEDHM C=CCCC1(C(=O)NCC2(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001110327383 1290302933 /nfs/dbraw/zinc/30/29/33/1290302933.db2.gz NHXHWCZVMKUSBW-UHFFFAOYSA-N -1 3 346.387 2.503 20 30 EFEDHM CCc1nc2cccc(F)c2n1CC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001185007929 1290561993 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EFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccccc1 ZINC000126387902 1291153534 /nfs/dbraw/zinc/15/35/34/1291153534.db2.gz IYSBTHHCCFFRGD-HNNXBMFYSA-N -1 3 345.362 2.537 20 30 EFEDHM CC(C)(C)C(=O)Nc1ncccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001189208138 1291612962 /nfs/dbraw/zinc/61/29/62/1291612962.db2.gz MYWDWQKQVBGKPM-UHFFFAOYSA-N -1 3 338.367 2.896 20 30 EFEDHM C=CC(C)(C)CC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000878344988 1291637804 /nfs/dbraw/zinc/63/78/04/1291637804.db2.gz JIAFIBBZXGXBNK-UHFFFAOYSA-N -1 3 340.445 2.998 20 30 EFEDHM O=C(Nc1ccccc1SC(F)(F)F)N[C@H]1CCCN([O-])C1=O ZINC000878351266 1291640938 /nfs/dbraw/zinc/64/09/38/1291640938.db2.gz UWMALKPEUAPDJE-VIFPVBQESA-N -1 3 349.334 2.800 20 30 EFEDHM C=C(C)c1cccc(C(C)(C)NC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001189274636 1291663344 /nfs/dbraw/zinc/66/33/44/1291663344.db2.gz JIHMHMYONUQZSY-OAHLLOKOSA-N -1 3 342.443 2.766 20 30 EFEDHM N#Cc1cc(F)cc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1 ZINC001189311863 1291668895 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N#Cc1coc(C[N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)c1 ZINC001190006071 1291966358 /nfs/dbraw/zinc/96/63/58/1291966358.db2.gz BNSWEFZTONMWSN-UHFFFAOYSA-N -1 3 348.277 2.788 20 30 EFEDHM Cc1noc([N-]C(=O)c2ccc(Br)nc2Cl)c1C#N ZINC001190052112 1291979665 /nfs/dbraw/zinc/97/96/65/1291979665.db2.gz YNWGICLDPDPISA-UHFFFAOYSA-N -1 3 341.552 2.918 20 30 EFEDHM COc1cc([O-])c(C(=O)N[C@@H]2CCc3c2cccc3C#N)c(OC)c1 ZINC001190144720 1292003692 /nfs/dbraw/zinc/00/36/92/1292003692.db2.gz VCBWSAALSNMFJB-OAHLLOKOSA-N -1 3 338.363 2.698 20 30 EFEDHM COc1cc(Cl)c(Cl)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879355594 1292086570 /nfs/dbraw/zinc/08/65/70/1292086570.db2.gz GGZLSRZLZOPJLN-VIFPVBQESA-N -1 3 348.186 2.504 20 30 EFEDHM O=C(Nc1ccc(N2CCCCCC2)cc1)N[C@H]1CCCN([O-])C1=O ZINC000879452645 1292141957 /nfs/dbraw/zinc/14/19/57/1292141957.db2.gz UIUCVWXXASAFKL-INIZCTEOSA-N -1 3 346.431 2.569 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cccc(OCC(F)F)n1 ZINC000127835468 1292176563 /nfs/dbraw/zinc/17/65/63/1292176563.db2.gz BFCMSUAFIXZCPJ-GFCCVEGCSA-N -1 3 345.305 2.687 20 30 EFEDHM N#Cc1cccc(C(=O)[N-]c2nnc(Br)s2)c1F ZINC001190525187 1292199591 /nfs/dbraw/zinc/19/95/91/1292199591.db2.gz MBANDGVDBPLJHT-UHFFFAOYSA-N -1 3 327.138 2.564 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc3ccccc3oc2=O)c1 ZINC001190616163 1292226781 /nfs/dbraw/zinc/22/67/81/1292226781.db2.gz JVELZTLGQVRCMG-UHFFFAOYSA-N -1 3 344.323 2.605 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cc(F)c(F)cc2F)c1 ZINC001190660876 1292249359 /nfs/dbraw/zinc/24/93/59/1292249359.db2.gz DCVGWBYJHQVKDT-UHFFFAOYSA-N -1 3 344.289 2.593 20 30 EFEDHM COc1ccc(CCC[N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190660867 1292250560 /nfs/dbraw/zinc/25/05/60/1292250560.db2.gz GYPXAKOGEPDKNB-UHFFFAOYSA-N -1 3 348.399 2.617 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccn2)C2CC2)c1 ZINC001190669363 1292255489 /nfs/dbraw/zinc/25/54/89/1292255489.db2.gz OSGHOTKIZXAIST-INIZCTEOSA-N -1 3 331.372 2.522 20 30 EFEDHM CN(C)Cc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190647872 1292263248 /nfs/dbraw/zinc/26/32/48/1292263248.db2.gz FFPMZXZZAXOZKD-UHFFFAOYSA-N -1 3 333.388 2.560 20 30 EFEDHM Cc1cc(C#N)ccc1CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765558 1292264109 /nfs/dbraw/zinc/26/41/09/1292264109.db2.gz FLFRTWQOPLFWEJ-OAHLLOKOSA-N -1 3 325.334 2.510 20 30 EFEDHM C[C@@H](c1ccc(C#N)cc1)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766233 1292264146 /nfs/dbraw/zinc/26/41/46/1292264146.db2.gz VYOVNISNIYFLBD-NHYWBVRUSA-N -1 3 325.334 2.762 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(C(=O)OCC)cc2F)CC1 ZINC001190766964 1292306589 /nfs/dbraw/zinc/30/65/89/1292306589.db2.gz ZJSAYTSNIPJSEJ-UHFFFAOYSA-N -1 3 327.377 2.853 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cnc(C#N)c(C(F)(F)F)c2)CC1 ZINC001190773232 1292307976 /nfs/dbraw/zinc/30/79/76/1292307976.db2.gz BOKIWYJSEJKJNO-UHFFFAOYSA-N -1 3 331.319 2.822 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2ncc(Br)cc2F)CC1 ZINC001190772971 1292308334 /nfs/dbraw/zinc/30/83/34/1292308334.db2.gz NYEVITUCQPTFRE-UHFFFAOYSA-N -1 3 335.198 2.834 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC001190805183 1292323806 /nfs/dbraw/zinc/32/38/06/1292323806.db2.gz CWEIYTDVMIKQQY-UHFFFAOYSA-N -1 3 329.805 2.977 20 30 EFEDHM N#Cc1ccc(CN2CCN(c3ncccc3Cl)CC2)c([O-])c1 ZINC001233386633 1312919887 /nfs/dbraw/zinc/91/98/87/1312919887.db2.gz BQPYIUXKURBHIT-UHFFFAOYSA-N -1 3 328.803 2.634 20 30 EFEDHM CC(C)OC(=O)Nc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)n(C)c1 ZINC001190874117 1292356155 /nfs/dbraw/zinc/35/61/55/1292356155.db2.gz OFCZOVJWIOQSQN-UHFFFAOYSA-N -1 3 342.355 2.812 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)nc(F)c2F)c1 ZINC001190938946 1292378418 /nfs/dbraw/zinc/37/84/18/1292378418.db2.gz HJQOUQLDBPFCOT-UHFFFAOYSA-N -1 3 347.705 2.825 20 30 EFEDHM N#Cc1ccccc1OCCCNC(=O)c1ccc(=O)[n-]c1Cl ZINC001190917782 1292395785 /nfs/dbraw/zinc/39/57/85/1292395785.db2.gz FKQYJNKWVMVJCV-UHFFFAOYSA-N -1 3 331.759 2.511 20 30 EFEDHM C=CCOCc1ncn2c1CN(Cc1c(F)ccc([O-])c1F)CCC2 ZINC001233394680 1312923209 /nfs/dbraw/zinc/92/32/09/1312923209.db2.gz WEFKJXCECAHSEX-UHFFFAOYSA-N -1 3 349.381 2.975 20 30 EFEDHM C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1c(F)ccc([O-])c1F)C2 ZINC001233395260 1312923362 /nfs/dbraw/zinc/92/33/62/1312923362.db2.gz RDHWCAPJYBFVOL-FZKQIMNGSA-N -1 3 339.382 2.997 20 30 EFEDHM N#Cc1csc(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC001191004479 1292421066 /nfs/dbraw/zinc/42/10/66/1292421066.db2.gz AWFALHVWVRYTKK-UHFFFAOYSA-N -1 3 337.813 2.623 20 30 EFEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1n[nH]cc1-c1ccccn1 ZINC001191493480 1292544581 /nfs/dbraw/zinc/54/45/81/1292544581.db2.gz UXROPMROQUVKSD-UHFFFAOYSA-N -1 3 325.278 2.874 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OC2CCCCC2)ccc1F ZINC000302932948 1292724870 /nfs/dbraw/zinc/72/48/70/1292724870.db2.gz GJQVVHOBIKSSJL-UHFFFAOYSA-N -1 3 341.404 2.780 20 30 EFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)cc1F ZINC000903619580 1312953375 /nfs/dbraw/zinc/95/33/75/1312953375.db2.gz HROOPNUGXKRHMH-MEBBXXQBSA-N -1 3 344.383 2.724 20 30 EFEDHM C[C@@H](CCCNc1ncc(C#N)cc1F)NC(=O)c1ccccc1[O-] ZINC001114842102 1292831581 /nfs/dbraw/zinc/83/15/81/1292831581.db2.gz KPRRZMJHOPOORZ-LBPRGKRZSA-N -1 3 342.374 2.809 20 30 EFEDHM Cc1ccc(C#N)c(NCCC[C@@H](C)NC(=O)c2ccccc2[O-])n1 ZINC001114842477 1292838623 /nfs/dbraw/zinc/83/86/23/1292838623.db2.gz UHWYOCKJUBORSM-CYBMUJFWSA-N -1 3 338.411 2.978 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2ccc3occ([O-])c3c2)C[C@H]1C#N ZINC001233680250 1312969270 /nfs/dbraw/zinc/96/92/70/1312969270.db2.gz HBFGKYLAURKMGB-WCQYABFASA-N -1 3 344.367 2.542 20 30 EFEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC000903632485 1312973507 /nfs/dbraw/zinc/97/35/07/1312973507.db2.gz RZEIKVQIFQUUGO-OAHLLOKOSA-N -1 3 333.438 2.781 20 30 EFEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1c(F)cc(Cl)cc1Br ZINC001193097765 1293166834 /nfs/dbraw/zinc/16/68/34/1293166834.db2.gz RUHCIMQMBXVKID-YFKPBYRVSA-N -1 3 341.589 2.895 20 30 EFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001193149123 1293186045 /nfs/dbraw/zinc/18/60/45/1293186045.db2.gz LZWDVBLEAJRBER-LLVKDONJSA-N -1 3 339.417 2.712 20 30 EFEDHM COC(=O)c1cccc(-c2cccc([N-]S(=O)(=O)[C@H](C)C#N)c2)c1 ZINC001193158936 1293189206 /nfs/dbraw/zinc/18/92/06/1293189206.db2.gz WPQMKTOIQPPBNQ-GFCCVEGCSA-N -1 3 344.392 2.794 20 30 EFEDHM Cc1noc([N-]C(=O)c2cc(Cl)cnc2Br)c1C#N ZINC001193256833 1293217663 /nfs/dbraw/zinc/21/76/63/1293217663.db2.gz ICGIRZNXPNATRA-UHFFFAOYSA-N -1 3 341.552 2.918 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000883047809 1293441879 /nfs/dbraw/zinc/44/18/79/1293441879.db2.gz BEHYBMYIZCBBNE-RYUDHWBXSA-N -1 3 337.288 2.849 20 30 EFEDHM C#C[C@@H](NCc1cc(Br)cc(F)c1[O-])[C@@H]1CCCO1 ZINC000883091215 1293458726 /nfs/dbraw/zinc/45/87/26/1293458726.db2.gz HIAWMTDSMCKVFS-OLZOCXBDSA-N -1 3 328.181 2.564 20 30 EFEDHM C[C@@](C#N)([N-]S(=O)(=O)c1ccccc1N)c1ccccc1Cl ZINC001193948911 1293498837 /nfs/dbraw/zinc/49/88/37/1293498837.db2.gz KAZUEPQJSSKAPQ-HNNXBMFYSA-N -1 3 335.816 2.639 20 30 EFEDHM N#CC1([N-]S(=O)(=O)Cc2noc3ccccc32)CCCCCC1 ZINC001194110851 1293519731 /nfs/dbraw/zinc/51/97/31/1293519731.db2.gz WOAIOTRFKLSIIL-UHFFFAOYSA-N -1 3 333.413 2.864 20 30 EFEDHM N#CCc1ccc([N-]S(=O)(=O)Cc2noc3ccccc32)cc1 ZINC001194092671 1293529722 /nfs/dbraw/zinc/52/97/22/1293529722.db2.gz OZPUEOBQPARQTC-UHFFFAOYSA-N -1 3 327.365 2.836 20 30 EFEDHM C=CCOC(=O)Nc1cc(Br)cc(C(=O)OC)c1[O-] ZINC001194319330 1293584164 /nfs/dbraw/zinc/58/41/64/1293584164.db2.gz VVXCFEBWPOZQLX-UHFFFAOYSA-N -1 3 330.134 2.676 20 30 EFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(F)ccc1N1CCCC1 ZINC001194468028 1293632168 /nfs/dbraw/zinc/63/21/68/1293632168.db2.gz PMORUXJRSVXEOC-UHFFFAOYSA-N -1 3 342.374 2.865 20 30 EFEDHM C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1sccc1C(=O)[O-] ZINC001273680875 1293685889 /nfs/dbraw/zinc/68/58/89/1293685889.db2.gz ZHSJEQKWSRMUFL-KRWDZBQOSA-N -1 3 334.441 2.589 20 30 EFEDHM COc1nc(C(=O)Nc2ccc([O-])c(C#N)c2)ccc1Br ZINC001195048506 1293782797 /nfs/dbraw/zinc/78/27/97/1293782797.db2.gz QDYQQTMBQYLGOV-UHFFFAOYSA-N -1 3 348.156 2.682 20 30 EFEDHM C=CCCOc1ccc(C(=O)Nc2cc(C(=O)OCC)n[n-]2)cc1 ZINC001195114391 1293808086 /nfs/dbraw/zinc/80/80/86/1293808086.db2.gz KILISLAOHJSDFZ-UHFFFAOYSA-N -1 3 329.356 2.794 20 30 EFEDHM C=CCCOc1ccc(C(=O)Nc2cc(C(=O)OCC)[n-]n2)cc1 ZINC001195114391 1293808094 /nfs/dbraw/zinc/80/80/94/1293808094.db2.gz KILISLAOHJSDFZ-UHFFFAOYSA-N -1 3 329.356 2.794 20 30 EFEDHM CC(C)(C)c1noc([N-]C(=S)NC(=O)c2ccccc2)c1C#N ZINC001195383461 1293915293 /nfs/dbraw/zinc/91/52/93/1293915293.db2.gz UUDYDDXEQUTRNX-UHFFFAOYSA-N -1 3 328.397 2.971 20 30 EFEDHM O=S(=O)(c1ccc([O-])cc1)N1CCC(C#Cc2ccccc2)CC1 ZINC001195791510 1294037180 /nfs/dbraw/zinc/03/71/80/1294037180.db2.gz NGWVXSWLYIZAFU-UHFFFAOYSA-N -1 3 341.432 2.845 20 30 EFEDHM C=CCOc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc([O-])cc1 ZINC001195828288 1294052635 /nfs/dbraw/zinc/05/26/35/1294052635.db2.gz FIEUOLBFIMFNLV-CYBMUJFWSA-N -1 3 333.409 2.997 20 30 EFEDHM COC(=O)c1ccc(NC(=S)Nc2ccccc2C#N)c([O-])c1 ZINC001196320162 1294196468 /nfs/dbraw/zinc/19/64/68/1294196468.db2.gz KDFKFTJJHDMQRN-UHFFFAOYSA-N -1 3 327.365 2.859 20 30 EFEDHM CC[C@H](C)n1nccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC001649166920 1294228209 /nfs/dbraw/zinc/22/82/09/1294228209.db2.gz CPDCTOOKHXXXAZ-QWHCGFSZSA-N -1 3 326.404 2.662 20 30 EFEDHM COc1cccc(-c2cc([O-])cc(C(=O)Nc3nnccc3C#N)c2)c1 ZINC001196366928 1294229698 /nfs/dbraw/zinc/22/96/98/1294229698.db2.gz WCTWQEVBVDJCES-UHFFFAOYSA-N -1 3 346.346 2.982 20 30 EFEDHM Cc1ccnc(F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196648457 1294318686 /nfs/dbraw/zinc/31/86/86/1294318686.db2.gz TZMCOCMYOZTSNK-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc[nH]c1=S ZINC001196650512 1294319195 /nfs/dbraw/zinc/31/91/95/1294319195.db2.gz NEUVFKRFBBVWSK-UHFFFAOYSA-N -1 3 325.802 2.696 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](Oc2cc([O-])cc(C#N)c2)C1 ZINC001234138700 1313066932 /nfs/dbraw/zinc/06/69/32/1313066932.db2.gz DUGNAKRHWHLOKF-GJZGRUSLSA-N -1 3 336.363 2.990 20 30 EFEDHM N#Cc1cc([O-])cc(OC2CCN(c3ccc(Cl)nn3)CC2)c1 ZINC001234142101 1313067398 /nfs/dbraw/zinc/06/73/98/1313067398.db2.gz TWJMIRYRSMXCMD-UHFFFAOYSA-N -1 3 330.775 2.755 20 30 EFEDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000885149798 1294335592 /nfs/dbraw/zinc/33/55/92/1294335592.db2.gz BMGZFITVQZTFAW-CQSZACIVSA-N -1 3 347.827 2.881 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](Oc3cc([O-])cc(C#N)c3)[C@@H]2C1 ZINC001234144731 1313067961 /nfs/dbraw/zinc/06/79/61/1313067961.db2.gz UOZZGRIKVHPOJK-APHBMKBZSA-N -1 3 330.384 2.898 20 30 EFEDHM COC(=O)c1ccc(NC(=S)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001196761334 1294349091 /nfs/dbraw/zinc/34/90/91/1294349091.db2.gz PWKKPDGKJFTPRD-UHFFFAOYSA-N -1 3 327.365 2.859 20 30 EFEDHM COc1ccc(F)c(S(=O)(=O)[N-]C23CCC(C#N)(CC2)CC3)c1 ZINC001196788036 1294364970 /nfs/dbraw/zinc/36/49/70/1294364970.db2.gz FKDYIYYZWLTNPK-UHFFFAOYSA-N -1 3 338.404 2.729 20 30 EFEDHM CCSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1 ZINC000102707891 1294409338 /nfs/dbraw/zinc/40/93/38/1294409338.db2.gz OGNTWVOGMKMHOT-LBPRGKRZSA-N -1 3 326.381 2.550 20 30 EFEDHM COc1cc([O-])ccc1C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001197152095 1294469395 /nfs/dbraw/zinc/46/93/95/1294469395.db2.gz DOJSNWWATMPZPN-UHFFFAOYSA-N -1 3 337.257 2.939 20 30 EFEDHM COc1cccc(CS(=O)(=O)[N-]c2cnc(C#N)c(Cl)c2)c1 ZINC001197355383 1294510340 /nfs/dbraw/zinc/51/03/40/1294510340.db2.gz XLLJVUKFFLUXCZ-UHFFFAOYSA-N -1 3 337.788 2.557 20 30 EFEDHM N#Cc1nc2ccc([N-]S(=O)(=O)Cc3ccccn3)cc2s1 ZINC001197822057 1294753082 /nfs/dbraw/zinc/75/30/82/1294753082.db2.gz SMUBUXPFPZBFPX-UHFFFAOYSA-N -1 3 330.394 2.505 20 30 EFEDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000886401271 1294933412 /nfs/dbraw/zinc/93/34/12/1294933412.db2.gz VKZJVYFFSWWKOM-HZMBPMFUSA-N -1 3 327.837 2.794 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(C)C ZINC000304161445 1295037936 /nfs/dbraw/zinc/03/79/36/1295037936.db2.gz HQPKDSSOFILUOE-VIFPVBQESA-N -1 3 336.276 2.755 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000959222144 1295076421 /nfs/dbraw/zinc/07/64/21/1295076421.db2.gz VGABHGQTGOZWJN-KBPBESRZSA-N -1 3 330.428 2.571 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000959222992 1295078023 /nfs/dbraw/zinc/07/80/23/1295078023.db2.gz XTHJBSOVOYHQNK-CABCVRRESA-N -1 3 344.455 2.961 20 30 EFEDHM N#Cc1cccnc1N1CCC(Oc2nc3c(cccc3[O-])[nH]2)CC1 ZINC001234448246 1313131673 /nfs/dbraw/zinc/13/16/73/1313131673.db2.gz TWKZITCCVLPWAN-UHFFFAOYSA-N -1 3 335.367 2.583 20 30 EFEDHM N#Cc1cc(NC(=O)c2ncccc2OCC(F)(F)F)ccc1[O-] ZINC001198957900 1295357061 /nfs/dbraw/zinc/35/70/61/1295357061.db2.gz AISACZURDQUKEI-UHFFFAOYSA-N -1 3 337.257 2.852 20 30 EFEDHM COCCOc1cncc(C(=O)[N-]c2c(C#N)oc3ccccc32)c1 ZINC001198985437 1295387338 /nfs/dbraw/zinc/38/73/38/1295387338.db2.gz ZHIFOGWAGSQMQV-UHFFFAOYSA-N -1 3 337.335 2.977 20 30 EFEDHM Cc1oc(NC(=O)COC(=O)c2cccc(Cl)c2[O-])c(C#N)c1C ZINC000775932628 1295415329 /nfs/dbraw/zinc/41/53/29/1295415329.db2.gz BHSZWJNKXVNUCQ-UHFFFAOYSA-N -1 3 348.742 2.923 20 30 EFEDHM N#Cc1ccsc1NC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC000775932597 1295415742 /nfs/dbraw/zinc/41/57/42/1295415742.db2.gz ASQRASNXXNMFJZ-UHFFFAOYSA-N -1 3 336.756 2.774 20 30 EFEDHM COCCOc1ccncc1C(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001199232017 1295458156 /nfs/dbraw/zinc/45/81/56/1295458156.db2.gz VLMXPKWVCWPWRE-UHFFFAOYSA-N -1 3 337.335 2.977 20 30 EFEDHM C=C1CC(C)(C(=O)N2C[C@@H](C)[C@@H](CNC(=O)c3ccccc3[O-])C2)C1 ZINC000959587740 1295573110 /nfs/dbraw/zinc/57/31/10/1295573110.db2.gz YPMWBOSDHLUCAR-CABCVRRESA-N -1 3 342.439 2.573 20 30 EFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cnc(Oc2ccccc2)nc1 ZINC001199772358 1295736972 /nfs/dbraw/zinc/73/69/72/1295736972.db2.gz BMMSGBCAPGQFDK-UHFFFAOYSA-N -1 3 349.350 2.708 20 30 EFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(F)ccc([O-])c1F ZINC001273810212 1296004466 /nfs/dbraw/zinc/00/44/66/1296004466.db2.gz QYZIZAQBLVQHFB-HUUCEWRRSA-N -1 3 336.382 2.812 20 30 EFEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1nc(=O)[n-]c2c1SCCC2 ZINC001234907381 1313206590 /nfs/dbraw/zinc/20/65/90/1313206590.db2.gz XIXFQKXCSIKJCA-SNVBAGLBSA-N -1 3 338.429 2.886 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1C#N ZINC001201315751 1296721963 /nfs/dbraw/zinc/72/19/63/1296721963.db2.gz JZXJPRSFLAQXBV-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201323296 1296727517 /nfs/dbraw/zinc/72/75/17/1296727517.db2.gz AENLCTBZDYZCJI-UHFFFAOYSA-N -1 3 348.355 2.732 20 30 EFEDHM CC[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201786688 1297103475 /nfs/dbraw/zinc/10/34/75/1297103475.db2.gz CXXIMMZEHZXEKO-NSHDSACASA-N -1 3 335.198 2.559 20 30 EFEDHM N#CCCCC[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201900334 1297140569 /nfs/dbraw/zinc/14/05/69/1297140569.db2.gz RKUCWXVZNWWXQS-UHFFFAOYSA-N -1 3 345.424 2.633 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000776273284 1297334686 /nfs/dbraw/zinc/33/46/86/1297334686.db2.gz FDTMBBKRPGZZSR-UHFFFAOYSA-N -1 3 330.727 2.713 20 30 EFEDHM Cc1ccc(C#N)c(N[C@H](CNC(=O)c2ccccc2[O-])C2CC2)n1 ZINC001096581739 1313407317 /nfs/dbraw/zinc/40/73/17/1313407317.db2.gz OKOLLDPISJMXHS-MRXNPFEDSA-N -1 3 336.395 2.588 20 30 EFEDHM C=C(Cl)CN1CC[C@@H]([C@H]2CCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000961150118 1298208639 /nfs/dbraw/zinc/20/86/39/1298208639.db2.gz WGKHOVCBTFBDMA-LSDHHAIUSA-N -1 3 349.862 2.714 20 30 EFEDHM C=CCOCc1ncn2c1CN(Cc1ccc(F)c([O-])c1)CCC2 ZINC001236699216 1313512696 /nfs/dbraw/zinc/51/26/96/1313512696.db2.gz NUXXWWPKTBXWMJ-UHFFFAOYSA-N -1 3 331.391 2.836 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2C)cc1 ZINC000108250393 1298493352 /nfs/dbraw/zinc/49/33/52/1298493352.db2.gz MDMCNKJLJADZDK-UHFFFAOYSA-N -1 3 331.393 2.816 20 30 EFEDHM C=C1CCC(C(=O)N2CCC[C@@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC000951908967 1298519566 /nfs/dbraw/zinc/51/95/66/1298519566.db2.gz JCUBLYCPTKMVNU-MRXNPFEDSA-N -1 3 342.439 2.859 20 30 EFEDHM N#Cc1ccc(N2CCN(Cc3sc(=O)[n-]c3Cl)CC2)cc1 ZINC001237152503 1313593600 /nfs/dbraw/zinc/59/36/00/1313593600.db2.gz YXMPMWQAEAMCJP-UHFFFAOYSA-N -1 3 334.832 2.696 20 30 EFEDHM CCN(CC)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cn2)c([O-])c1 ZINC000254623512 1299974251 /nfs/dbraw/zinc/97/42/51/1299974251.db2.gz LDCBTNUWNIPQCW-UHFFFAOYSA-N -1 3 329.360 2.988 20 30 EFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1nnc2ccccc2c1[O-] ZINC000111585052 1300270769 /nfs/dbraw/zinc/27/07/69/1300270769.db2.gz VGSCZTAZYXHDKF-UHFFFAOYSA-N -1 3 344.374 2.623 20 30 EFEDHM CCN(CCC#N)Cc1cccc(I)c1[O-] ZINC001237780005 1313705063 /nfs/dbraw/zinc/70/50/63/1313705063.db2.gz OPQLAUIWQWCQLV-UHFFFAOYSA-N -1 3 330.169 2.732 20 30 EFEDHM C#C[C@](C)(CC)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000854697560 1300668063 /nfs/dbraw/zinc/66/80/63/1300668063.db2.gz GDHUTTKTAVRTKU-MRXNPFEDSA-N -1 3 347.212 2.822 20 30 EFEDHM C=CCCO[N-]C(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000856032682 1301211787 /nfs/dbraw/zinc/21/17/87/1301211787.db2.gz SKOPYAUDZJZJRN-GFCCVEGCSA-N -1 3 332.429 2.532 20 30 EFEDHM C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(F)cc1C(=O)[O-])C2 ZINC001238235678 1313788145 /nfs/dbraw/zinc/78/81/45/1313788145.db2.gz WDRKRWLTQMAQBL-APWZRJJASA-N -1 3 349.402 2.850 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cnn(C2CC2)c1 ZINC000860470966 1301818563 /nfs/dbraw/zinc/81/85/63/1301818563.db2.gz XOPICRBUCZEELA-GFCCVEGCSA-N -1 3 328.759 2.833 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H](C)C2)C1 ZINC000955565751 1302404120 /nfs/dbraw/zinc/40/41/20/1302404120.db2.gz MDESGXVAMBRILM-LSDHHAIUSA-N -1 3 342.439 2.858 20 30 EFEDHM Cc1ccc(O)c(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000862759459 1302451834 /nfs/dbraw/zinc/45/18/34/1302451834.db2.gz FXBAFWDUQCCCEK-UHFFFAOYSA-N -1 3 339.395 2.539 20 30 EFEDHM C=C(Cl)C[C@@H](NCc1cc(OC)cc2c1O[C@@H](C)C2)C(=O)[O-] ZINC000864518390 1302957279 /nfs/dbraw/zinc/95/72/79/1302957279.db2.gz INBULZCKEOQNOX-IINYFYTJSA-N -1 3 325.792 2.704 20 30 EFEDHM C=C(Cl)C[C@H](NCc1cc2c(cc1OC(F)F)OCO2)C(=O)[O-] ZINC000864519456 1302957675 /nfs/dbraw/zinc/95/76/75/1302957675.db2.gz PHOVCVVCNINGAJ-VIFPVBQESA-N -1 3 349.717 2.702 20 30 EFEDHM C[C@@H]1CCN(Cc2ccccc2C#N)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000965270299 1303096332 /nfs/dbraw/zinc/09/63/32/1303096332.db2.gz RALONOOYHHWTQV-BEFAXECRSA-N -1 3 349.434 2.904 20 30 EFEDHM CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1 ZINC000121147640 1303709320 /nfs/dbraw/zinc/70/93/20/1303709320.db2.gz NTHVWUVELQJDRP-KRXBUXKQSA-N -1 3 335.356 2.799 20 30 EFEDHM C=CCCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001097249167 1313937184 /nfs/dbraw/zinc/93/71/84/1313937184.db2.gz YTAAXHKEIPPNSH-TXEJJXNPSA-N -1 3 346.387 2.501 20 30 EFEDHM C=CCC1(C(=O)N[C@H]2C[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCC1 ZINC001097251494 1313938739 /nfs/dbraw/zinc/93/87/39/1313938739.db2.gz DCJFPAHXJZOUCM-TXEJJXNPSA-N -1 3 346.387 2.501 20 30 EFEDHM C=C1CCC(C(=O)N2C[C@H](C)[C@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC000966793107 1304293527 /nfs/dbraw/zinc/29/35/27/1304293527.db2.gz UDBBJRPEIIGPGR-WMLDXEAASA-N -1 3 342.439 2.715 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC000967228887 1304758934 /nfs/dbraw/zinc/75/89/34/1304758934.db2.gz YVYSMORLFWVSID-OAHLLOKOSA-N -1 3 344.455 2.915 20 30 EFEDHM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1cc([O-])cc(F)c1 ZINC001241261285 1314105909 /nfs/dbraw/zinc/10/59/09/1314105909.db2.gz IWPBVTUAJYMIBA-ZDUSSCGKSA-N -1 3 329.331 2.937 20 30 EFEDHM C=CCc1ccnc(-c2ccc(-c3nnn[n-]3)cc2)c1C(OC)OC ZINC001241442418 1314119119 /nfs/dbraw/zinc/11/91/19/1314119119.db2.gz KCHQUDONJOWETK-UHFFFAOYSA-N -1 3 337.383 2.949 20 30 EFEDHM C=CCc1ccnc(-c2ccc(-c3nn[n-]n3)cc2)c1C(OC)OC ZINC001241442418 1314119122 /nfs/dbraw/zinc/11/91/22/1314119122.db2.gz KCHQUDONJOWETK-UHFFFAOYSA-N -1 3 337.383 2.949 20 30 EFEDHM N#Cc1ccc(CN2CCC[C@@H](NC(=O)c3ccccc3[O-])C2)s1 ZINC001006778228 1307103485 /nfs/dbraw/zinc/10/34/85/1307103485.db2.gz MWOQWALCQWHJJW-CYBMUJFWSA-N -1 3 341.436 2.720 20 30 EFEDHM N#Cc1ccccc1CN1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001006779103 1307104394 /nfs/dbraw/zinc/10/43/94/1307104394.db2.gz XQXJJHBVXLXFBV-QGZVFWFLSA-N -1 3 335.407 2.658 20 30 EFEDHM C=C1CCC(C(=O)N[C@@H](C)C2CN(C(=O)c3ccccc3[O-])C2)CC1 ZINC001006788483 1307109309 /nfs/dbraw/zinc/10/93/09/1307109309.db2.gz AIIVGYVESFGAPK-AWEZNQCLSA-N -1 3 342.439 2.715 20 30 EFEDHM C=C[C@@H](C)[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066871012 1307408273 /nfs/dbraw/zinc/40/82/73/1307408273.db2.gz UWAJCXDPJQYQPG-CABCVRRESA-N -1 3 332.444 2.771 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066870923 1307408489 /nfs/dbraw/zinc/40/84/89/1307408489.db2.gz REFPSGBRPHCDFU-OAHLLOKOSA-N -1 3 332.444 2.915 20 30 EFEDHM C=CCS(=O)(=O)[N-]c1ccccc1N(C)C(=O)OC(C)(C)C ZINC001259932085 1316299500 /nfs/dbraw/zinc/29/95/00/1316299500.db2.gz RIYSJJUNEPGKHK-UHFFFAOYSA-N -1 3 326.418 2.986 20 30 EFEDHM C[C@H](CNC(=O)c1ccccc1[O-])Nc1snc(Cl)c1C#N ZINC001097674981 1314190437 /nfs/dbraw/zinc/19/04/37/1314190437.db2.gz OOUNOGOBQOIXDV-MRVPVSSYSA-N -1 3 336.804 2.604 20 30 EFEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1c([O-])cccc1OC ZINC000900135711 1307702269 /nfs/dbraw/zinc/70/22/69/1307702269.db2.gz ZRKOWBXJLTUMMA-UHFFFAOYSA-N -1 3 340.379 2.561 20 30 EFEDHM CON(C)C(=O)[C@H]1CCc2cc(-c3ccc([O-])c(C#N)c3)ccc2O1 ZINC001242566425 1314216039 /nfs/dbraw/zinc/21/60/39/1314216039.db2.gz YVKKETZQBRVLNP-GOSISDBHSA-N -1 3 338.363 2.644 20 30 EFEDHM CON(C)C(=O)[C@@H]1CCc2cc(-c3ccc([O-])c(C#N)c3)ccc2O1 ZINC001242566426 1314216243 /nfs/dbraw/zinc/21/62/43/1314216243.db2.gz YVKKETZQBRVLNP-SFHVURJKSA-N -1 3 338.363 2.644 20 30 EFEDHM C=CC(C)(C)CC(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001052691513 1314300208 /nfs/dbraw/zinc/30/02/08/1314300208.db2.gz SCPKLMLLTOCNFX-HUUCEWRRSA-N -1 3 344.455 2.819 20 30 EFEDHM CC(=NN[C@@H]1CCCC[C@H]1O)c1ccc(Br)cc1[O-] ZINC000901339452 1310179340 /nfs/dbraw/zinc/17/93/40/1310179340.db2.gz TUIIREBYTNQZBZ-CHWSQXEVSA-N -1 3 327.222 2.772 20 30 EFEDHM C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@H]2C)CC1 ZINC001011516380 1310221940 /nfs/dbraw/zinc/22/19/40/1310221940.db2.gz ITRXBSQDWWKOHA-WMLDXEAASA-N -1 3 342.439 2.858 20 30 EFEDHM O=C(c1cc(N2CCNC2=O)ccc1F)N([O-])Cc1ccc(F)cc1 ZINC000901372021 1310254203 /nfs/dbraw/zinc/25/42/03/1310254203.db2.gz NAVBLMSPXVTEDM-UHFFFAOYSA-N -1 3 347.321 2.526 20 30 EFEDHM CC(C)NC(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901371782 1310254381 /nfs/dbraw/zinc/25/43/81/1310254381.db2.gz IAMFCZKIMREPRS-UHFFFAOYSA-N -1 3 330.359 2.996 20 30 EFEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)nnn1-c1ccccc1 ZINC000901374159 1310262952 /nfs/dbraw/zinc/26/29/52/1310262952.db2.gz FMGWTXXWYDYOBB-UHFFFAOYSA-N -1 3 326.331 2.746 20 30 EFEDHM O=C([C@@H]1CC(=O)Nc2cc(F)ccc21)N([O-])Cc1ccc(F)cc1 ZINC000901375037 1310263314 /nfs/dbraw/zinc/26/33/14/1310263314.db2.gz BSQHPULUYQRLPZ-CQSZACIVSA-N -1 3 332.306 2.809 20 30 EFEDHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901374627 1310263723 /nfs/dbraw/zinc/26/37/23/1310263723.db2.gz NYVZCLSVEOHYDA-CQSZACIVSA-N -1 3 336.407 2.828 20 30 EFEDHM O=C(NCCCC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901376224 1310267607 /nfs/dbraw/zinc/26/76/07/1310267607.db2.gz QIEHJHPHCYFPJH-UHFFFAOYSA-N -1 3 330.359 2.754 20 30 EFEDHM O=C(COC[C@@H]1CCCO1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378678 1310275103 /nfs/dbraw/zinc/27/51/03/1310275103.db2.gz PCEUMVPEPGUTSK-ZDUSSCGKSA-N -1 3 334.199 2.907 20 30 EFEDHM O=C(COC[C@H]1CCCO1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378677 1310275332 /nfs/dbraw/zinc/27/53/32/1310275332.db2.gz PCEUMVPEPGUTSK-CYBMUJFWSA-N -1 3 334.199 2.907 20 30 EFEDHM COc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nn1C ZINC000901379308 1310276419 /nfs/dbraw/zinc/27/64/19/1310276419.db2.gz ZKHDRVDYWDUHFY-UHFFFAOYSA-N -1 3 330.171 2.767 20 30 EFEDHM COC([O-])=NC(=S)N(c1ccccc1N)C1=CC(=O)C[C@H](C)C1 ZINC001210776922 1314386135 /nfs/dbraw/zinc/38/61/35/1314386135.db2.gz RXHITKHBTZXYMZ-SNVBAGLBSA-N -1 3 333.413 2.599 20 30 EFEDHM C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[O-])C2 ZINC001047631501 1311032547 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332.791 2.591 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)nc2c(Cl)cccc12 ZINC001160174293 1311659735 /nfs/dbraw/zinc/65/97/35/1311659735.db2.gz ACEBPXJMDSEPPX-RCOVLWMOSA-N -1 3 327.171 2.585 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Cl)nc2c(F)ccc(F)c12 ZINC001160178708 1311660388 /nfs/dbraw/zinc/66/03/88/1311660388.db2.gz MBXNBPUGEKJCPH-QTTZVWFDSA-N -1 3 327.718 2.814 20 30 EFEDHM COc1cc2c(cc(Cl)nc2N[C@@H]2C(=O)N([O-])C[C@@H]2C)cc1F ZINC001160179312 1311660532 /nfs/dbraw/zinc/66/05/32/1311660532.db2.gz WYCAXUNXTMSCAL-CPFSXVBKSA-N -1 3 339.754 2.684 20 30 EFEDHM Cc1cc(N2CC[C@@H](Oc3cc(C#N)ccc3[O-])C2)nc(Cl)n1 ZINC001227348804 1311796761 /nfs/dbraw/zinc/79/67/61/1311796761.db2.gz CQWICZZRLUAWNI-GFCCVEGCSA-N -1 3 330.775 2.673 20 30 EFEDHM C#C[C@@H](COc1cccc(Cl)c1)Oc1[nH]c(=S)nc2nc[n-]c21 ZINC001227616005 1311830799 /nfs/dbraw/zinc/83/07/99/1311830799.db2.gz IZKGHZFDESOXLZ-JTQLQIEISA-N -1 3 346.799 2.755 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2ncc(Cl)cc2[O-])C1 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C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)CC1CCCCC1 ZINC001259621119 1316263398 /nfs/dbraw/zinc/26/33/98/1316263398.db2.gz KYPKMYLURRTNOE-HNNXBMFYSA-N -1 3 331.478 2.630 20 30 EFEDHM N#Cc1ncc([N-]S(=O)(=O)CCc2ccccc2F)cc1Cl ZINC001259780614 1316277418 /nfs/dbraw/zinc/27/74/18/1316277418.db2.gz BIQXUIXCWBBMDD-UHFFFAOYSA-N -1 3 339.779 2.730 20 30 EFEDHM O=S(=O)(CCC(F)(F)F)[N-]c1cc(C(F)(F)F)cnc1F ZINC001259867253 1316290017 /nfs/dbraw/zinc/29/00/17/1316290017.db2.gz OEPHTRPVGGGEHX-UHFFFAOYSA-N -1 3 340.220 2.934 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2ncc(Cl)cc2F)cc1 ZINC001260037712 1316309858 /nfs/dbraw/zinc/30/98/58/1316309858.db2.gz ANYCWGJHGLKKGE-UHFFFAOYSA-N -1 3 325.752 2.688 20 30 EFEDHM N#Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC001260452439 1316339845 /nfs/dbraw/zinc/33/98/45/1316339845.db2.gz ZCIRLFOHTZJANZ-UHFFFAOYSA-N -1 3 344.323 2.605 20 30 EFEDHM N#Cc1cc([N-]S(=O)(=O)Cc2ccccc2F)cc(F)c1F ZINC001260627919 1316350351 /nfs/dbraw/zinc/35/03/51/1316350351.db2.gz VSXBCASTHZCELA-UHFFFAOYSA-N -1 3 326.299 2.917 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)cc1F ZINC001260661742 1316355924 /nfs/dbraw/zinc/35/59/24/1316355924.db2.gz BVMWGBZYAAOGHG-UHFFFAOYSA-N -1 3 342.298 2.785 20 30 EFEDHM C=C(C)CCC(=O)N1CCC(C)(NC(=O)c2ccccc2[O-])CC1 ZINC001073069059 1316434144 /nfs/dbraw/zinc/43/41/44/1316434144.db2.gz CFZKRZRNADFLTP-UHFFFAOYSA-N -1 3 330.428 2.859 20 30 EFEDHM CC#CC[C@H](NCc1cc2cnn(C(C)C)c2nc1Cl)C(=O)[O-] ZINC001262164318 1316450649 /nfs/dbraw/zinc/45/06/49/1316450649.db2.gz DQXQNVXGVLSEMD-ZDUSSCGKSA-N -1 3 334.807 2.622 20 30 EFEDHM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001073727706 1316469239 /nfs/dbraw/zinc/46/92/39/1316469239.db2.gz IAFBYBDKBUHHPD-HOCLYGCPSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCC2(CCCC2)C1 ZINC001262956886 1316508596 /nfs/dbraw/zinc/50/85/96/1316508596.db2.gz AWHMDSDFJMGNQW-UHFFFAOYSA-N -1 3 340.431 2.787 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC)CC1CCC1 ZINC001262988791 1316513217 /nfs/dbraw/zinc/51/32/17/1316513217.db2.gz ZLTIPEFCMNRNBL-UHFFFAOYSA-N -1 3 328.420 2.562 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001262988300 1316513251 /nfs/dbraw/zinc/51/32/51/1316513251.db2.gz PGQCSQZGLJCEAD-AWEZNQCLSA-N -1 3 340.431 2.562 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C[C@H]1CC1(C)C ZINC001263285747 1316526658 /nfs/dbraw/zinc/52/66/58/1316526658.db2.gz NUWNBNIBUZGQDU-CYBMUJFWSA-N -1 3 342.447 2.808 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C[C@@H]1CC1(C)C ZINC001263285748 1316526747 /nfs/dbraw/zinc/52/67/47/1316526747.db2.gz NUWNBNIBUZGQDU-ZDUSSCGKSA-N -1 3 342.447 2.808 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCCCC1 ZINC001263285499 1316527026 /nfs/dbraw/zinc/52/70/26/1316527026.db2.gz IEKJSLQWERJKFR-UHFFFAOYSA-N -1 3 328.420 2.706 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCCC(C)(C)C1 ZINC001263316138 1316529950 /nfs/dbraw/zinc/52/99/50/1316529950.db2.gz NRRWDZOGGNNNOM-UHFFFAOYSA-N -1 3 328.420 2.643 20 30 EFEDHM Cc1nc[n-]c(=O)c1CCC(=O)OCC#Cc1ccc(Cl)cc1 ZINC001318971360 1328752866 /nfs/dbraw/zinc/75/28/66/1328752866.db2.gz IEIQHVLYVSMYRH-UHFFFAOYSA-N -1 3 330.771 2.672 20 30 EFEDHM COc1cc(CN=Nc2nncc(N)c2Cl)cc(Cl)c1[O-] ZINC001319196176 1328803967 /nfs/dbraw/zinc/80/39/67/1328803967.db2.gz WJCHUNLWAPTILA-UHFFFAOYSA-N -1 3 328.159 2.526 20 30 EFEDHM C=CCC(CC=C)C(=O)NCc1c(F)cccc1[N-]S(C)(=O)=O ZINC001319610517 1328929103 /nfs/dbraw/zinc/92/91/03/1328929103.db2.gz XFYOVWXKEAFDQE-UHFFFAOYSA-N -1 3 340.420 2.582 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001292432555 1322074977 /nfs/dbraw/zinc/07/49/77/1322074977.db2.gz HPQDWRPCSZRMBN-LBPRGKRZSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001292432555 1322074983 /nfs/dbraw/zinc/07/49/83/1322074983.db2.gz HPQDWRPCSZRMBN-LBPRGKRZSA-N -1 3 332.367 2.556 20 30 EFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1c(C)nc[n-]c1=O ZINC001318041533 1328481479 /nfs/dbraw/zinc/48/14/79/1328481479.db2.gz PKVAKPLUUSUKLY-UHFFFAOYSA-N -1 3 336.395 2.510 20 30 EFEDHM COc1cc(C(=O)/C=C/c2cccnc2N(C)C)c(OC)cc1[O-] ZINC001323088808 1329510654 /nfs/dbraw/zinc/51/06/54/1329510654.db2.gz TVLDFJWSOGLNTL-BQYQJAHWSA-N -1 3 328.368 2.767 20 30 EFEDHM C[C@H]1CCc2nc(C=N[N-]S(=O)(=O)Cc3ccccc3)sc2C1 ZINC001324202257 1329607801 /nfs/dbraw/zinc/60/78/01/1329607801.db2.gz OIYXMIIFJWHXAK-LBPRGKRZSA-N -1 3 349.481 2.721 20 30 EFEDHM C=CC[C@@H](NCc1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC001331950161 1330896007 /nfs/dbraw/zinc/89/60/07/1330896007.db2.gz KDSDVUYTKQVIOC-GFCCVEGCSA-N -1 3 332.381 2.658 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2C)c1[O-] ZINC001338523836 1331713536 /nfs/dbraw/zinc/71/35/36/1331713536.db2.gz RRJVFLVVUSOHFE-UHFFFAOYSA-N -1 3 342.443 2.515 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H]1CCc2ccccc21 ZINC001338835105 1331744275 /nfs/dbraw/zinc/74/42/75/1331744275.db2.gz VIDMGLVZICXKBI-MRXNPFEDSA-N -1 3 348.410 2.750 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)C[C@@H](C)c1nccs1 ZINC001339014053 1331769376 /nfs/dbraw/zinc/76/93/76/1331769376.db2.gz CGCZJMAQZMSVKM-SNVBAGLBSA-N -1 3 346.416 2.521 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@@H](C)c1ccco1 ZINC001339195866 1331813881 /nfs/dbraw/zinc/81/38/81/1331813881.db2.gz JMQJMKGUIDCOGX-NSHDSACASA-N -1 3 340.387 2.726 20 30 EFEDHM CC(=NNC(=S)NC(C)C)c1ccc(Br)cc1[O-] ZINC001340236079 1332158810 /nfs/dbraw/zinc/15/88/10/1332158810.db2.gz HFELNHOFPXNSQT-UHFFFAOYSA-N -1 3 330.251 2.751 20 30 EFEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccn(-c2ccncc2)n1 ZINC001341198787 1332242381 /nfs/dbraw/zinc/24/23/81/1332242381.db2.gz RPTHSFYRXBMPOD-CQSZACIVSA-N -1 3 342.362 2.644 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCC(C)(C)CC1 ZINC001341739156 1332280963 /nfs/dbraw/zinc/28/09/63/1332280963.db2.gz HANXTVXBUPDKQE-UHFFFAOYSA-N -1 3 342.447 2.952 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCCC[C@H](C)C1 ZINC001342024785 1332296191 /nfs/dbraw/zinc/29/61/91/1332296191.db2.gz HMANTFAUATURFA-ZDUSSCGKSA-N -1 3 328.420 2.643 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001342150861 1332310598 /nfs/dbraw/zinc/31/05/98/1332310598.db2.gz VMZLEVPXLHLUKW-YDHLFZDLSA-N -1 3 340.431 2.642 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)nc2)cc1 ZINC001342598698 1332334061 /nfs/dbraw/zinc/33/40/61/1332334061.db2.gz VXDYJZYSAMEECM-ZDUSSCGKSA-N -1 3 329.743 2.705 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)nc2)c1 ZINC001343468360 1332349036 /nfs/dbraw/zinc/34/90/36/1332349036.db2.gz AINDSGCCIJLBKE-ZDUSSCGKSA-N -1 3 329.743 2.705 20 30 EFEDHM C=C(C)CN(C)c1nnc(-c2cnc[n-]c2=O)n1Cc1cccs1 ZINC001344709890 1332477285 /nfs/dbraw/zinc/47/72/85/1332477285.db2.gz JLUULKNHIHYUOD-UHFFFAOYSA-N -1 3 342.428 2.563 20 30 EFEDHM C=CC[C@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2CC2CC2)C1 ZINC001345978696 1332589758 /nfs/dbraw/zinc/58/97/58/1332589758.db2.gz XGZPSSACRQIEKC-LBPRGKRZSA-N -1 3 329.404 2.841 20 30 EFEDHM CC#CC[C@@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-] ZINC001350668055 1333110984 /nfs/dbraw/zinc/11/09/84/1333110984.db2.gz OKHMCAGOTXBTDY-SNVBAGLBSA-N -1 3 332.144 2.684 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@](C)(CC)C1 ZINC001351722339 1333275059 /nfs/dbraw/zinc/27/50/59/1333275059.db2.gz CCWZTPULLBNOCT-QGZVFWFLSA-N -1 3 328.420 2.643 20 30 EFEDHM Cc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(Cl)c1Cl ZINC001352912804 1333800866 /nfs/dbraw/zinc/80/08/66/1333800866.db2.gz PMOWMPBHCNVUJC-SECBINFHSA-N -1 3 332.187 2.804 20 30 EFEDHM Cn1c2ccccc2c2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)sc21 ZINC000848138716 1334351369 /nfs/dbraw/zinc/35/13/69/1334351369.db2.gz SVUVWARHPXIRQT-GFCCVEGCSA-N -1 3 343.408 2.503 20 30 EFEDHM C[C@H](Cc1ccc(C#N)cc1)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000848799238 1334906366 /nfs/dbraw/zinc/90/63/66/1334906366.db2.gz NTBTZGIQXPCILG-GFCCVEGCSA-N -1 3 337.379 2.853 20 30 EFEDHM C=CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC=C)C1 ZINC001356140537 1334969774 /nfs/dbraw/zinc/96/97/74/1334969774.db2.gz VCWCMAZTQBPAPL-CQSZACIVSA-N -1 3 340.431 2.728 20 30 EFEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCC#N)c1)C1CCCC1 ZINC000849304060 1335590818 /nfs/dbraw/zinc/59/08/18/1335590818.db2.gz MQQVVXLSADCEGG-MRXNPFEDSA-N -1 3 338.429 2.536 20 30 EFEDHM CO[C@H](COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCC1 ZINC000849663162 1335685664 /nfs/dbraw/zinc/68/56/64/1335685664.db2.gz OVUUEMFYARJSQT-MRXNPFEDSA-N -1 3 332.400 2.567 20 30 EFEDHM N#Cc1c([N-]C(=O)c2cnc(C3OCCO3)s2)sc2c1CCC2 ZINC001361306338 1335974220 /nfs/dbraw/zinc/97/42/20/1335974220.db2.gz VNLWYTFFFRRGOE-UHFFFAOYSA-N -1 3 347.421 2.863 20 30 EFEDHM N#Cc1c([N-]C(=O)c2occc2Br)ncc2c1COCC2 ZINC001361633291 1336233200 /nfs/dbraw/zinc/23/32/00/1336233200.db2.gz SPPQVPPYPZFPRJ-UHFFFAOYSA-N -1 3 348.156 2.634 20 30 EFEDHM N#Cc1cc([N-]C(=O)c2cnc(C3OCCO3)s2)c(F)cc1F ZINC001361716216 1336291786 /nfs/dbraw/zinc/29/17/86/1336291786.db2.gz PWCPGDHSICMAPZ-UHFFFAOYSA-N -1 3 337.307 2.591 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccc(C#N)cc2)[n-]n1 ZINC001363512472 1336911260 /nfs/dbraw/zinc/91/12/60/1336911260.db2.gz HESMGVIPCDCOSE-UHFFFAOYSA-N -1 3 340.383 2.808 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccc(C#N)cc2)n[n-]1 ZINC001363512472 1336911263 /nfs/dbraw/zinc/91/12/63/1336911263.db2.gz HESMGVIPCDCOSE-UHFFFAOYSA-N -1 3 340.383 2.808 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2CC#N)[n-]n1 ZINC001363516286 1336913414 /nfs/dbraw/zinc/91/34/14/1336913414.db2.gz XIXMBCOSRDZODY-UHFFFAOYSA-N -1 3 326.356 2.683 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2CC#N)n[n-]1 ZINC001363516286 1336913416 /nfs/dbraw/zinc/91/34/16/1336913416.db2.gz XIXMBCOSRDZODY-UHFFFAOYSA-N -1 3 326.356 2.683 20 30 EFEDHM Cc1cc(C#N)ccc1CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC001363811813 1337062465 /nfs/dbraw/zinc/06/24/65/1337062465.db2.gz XVMYHDRQMMVKMY-WFASDCNBSA-N -1 3 339.361 2.898 20 30 EFEDHM C=C(Br)CN(CCC)CCNC(=O)c1ccccc1[O-] ZINC001404106510 1365266411 /nfs/dbraw/zinc/26/64/11/1365266411.db2.gz ATLKOESQKMPJKM-UHFFFAOYSA-N -1 3 341.249 2.743 20 30 EFEDHM C=C(Cl)CNC[C@@H](NC(=O)c1ncccc1[O-])C1CCCCC1 ZINC001405947396 1366987417 /nfs/dbraw/zinc/98/74/17/1366987417.db2.gz MKWVUXKGDHKRPP-CQSZACIVSA-N -1 3 337.851 2.808 20 30 EFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)c1ccccc1 ZINC001424133384 1382782796 /nfs/dbraw/zinc/78/27/96/1382782796.db2.gz OPJRWHIHLWWMOL-UHFFFAOYSA-N -1 3 346.383 2.637 20 30 EFEDHM N#CC[C@@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001454406517 1393006833 /nfs/dbraw/zinc/00/68/33/1393006833.db2.gz GRNVQLDFWKHMLR-AWEZNQCLSA-N -1 3 332.367 2.893 20 30 EFEDHM N#CC[C@@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001454406517 1393006841 /nfs/dbraw/zinc/00/68/41/1393006841.db2.gz GRNVQLDFWKHMLR-AWEZNQCLSA-N -1 3 332.367 2.893 20 30 EFEDHM COC(=O)c1cc(C([O-])=C(C#N)c2ccccn2)n(-c2ccccc2)n1 ZINC000103329856 1416766985 /nfs/dbraw/zinc/76/69/85/1416766985.db2.gz UPGYQUBWSNAMQK-CQSZACIVSA-N -1 3 346.346 2.544 20 30 EFEDHM C#CCOc1ccccc1CN[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823861937 1427179282 /nfs/dbraw/zinc/17/92/82/1427179282.db2.gz UEQOBTOXNJHRPH-CQSZACIVSA-N -1 3 333.395 2.730 20 30 EFEDHM C#CCOc1ccccc1CN[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823861937 1427179285 /nfs/dbraw/zinc/17/92/85/1427179285.db2.gz UEQOBTOXNJHRPH-CQSZACIVSA-N -1 3 333.395 2.730 20 30 EFEDHM C[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cc2)CN1Cc1ccccc1 ZINC000820643212 1446975442 /nfs/dbraw/zinc/97/54/42/1446975442.db2.gz RZOVGFKJBGMCKT-AWEZNQCLSA-N -1 3 347.426 2.929 20 30 EFEDHM C[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)CN1Cc1ccccc1 ZINC000820643212 1446975444 /nfs/dbraw/zinc/97/54/44/1446975444.db2.gz RZOVGFKJBGMCKT-AWEZNQCLSA-N -1 3 347.426 2.929 20 30 EFEDHM COc1ccc(CN[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000821803761 1449883700 /nfs/dbraw/zinc/88/37/00/1449883700.db2.gz HEFUVGAFQPZDOG-LBPRGKRZSA-N -1 3 334.383 2.598 20 30 EFEDHM COc1ccc(CN[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000821803761 1449883706 /nfs/dbraw/zinc/88/37/06/1449883706.db2.gz HEFUVGAFQPZDOG-LBPRGKRZSA-N -1 3 334.383 2.598 20 30 EFEDHM C[C@H](NC(=O)c1ccccc1[O-])C1CN(Cc2cccc(C#N)c2)C1 ZINC000969307601 713027288 /nfs/dbraw/zinc/02/72/88/713027288.db2.gz IDYGGQBTBAESEZ-AWEZNQCLSA-N -1 3 335.407 2.514 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001020781494 713396479 /nfs/dbraw/zinc/39/64/79/713396479.db2.gz WKCRRPQTMQHWAL-GJZGRUSLSA-N -1 3 344.455 2.819 20 30 EFEDHM C=C1CCC(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CC1 ZINC000891020558 713777365 /nfs/dbraw/zinc/77/73/65/713777365.db2.gz JLZXKPYOAIAYKZ-GFCCVEGCSA-N -1 3 332.366 2.650 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000971373959 714540695 /nfs/dbraw/zinc/54/06/95/714540695.db2.gz OMWIGNSMRNLGDY-KKVAFCGZSA-N -1 3 342.439 2.667 20 30 EFEDHM O=C1CCCN1Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255539237 715787328 /nfs/dbraw/zinc/78/73/28/715787328.db2.gz WNYDIESFRHLLAZ-UHFFFAOYSA-N -1 3 326.352 2.676 20 30 EFEDHM C=C1CCC(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccccc2[O-])CC1 ZINC000977409744 716158704 /nfs/dbraw/zinc/15/87/04/716158704.db2.gz LTIKJCKHXYVZRF-MRXNPFEDSA-N -1 3 342.439 2.812 20 30 EFEDHM N#Cc1sc(N[C@H]2CCN(C(=O)c3ccccc3[O-])C2)nc1Cl ZINC001058832417 717225243 /nfs/dbraw/zinc/22/52/43/717225243.db2.gz QBHFWMWMGGLQOV-VIFPVBQESA-N -1 3 348.815 2.700 20 30 EFEDHM C=C1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC000980426674 717255865 /nfs/dbraw/zinc/25/58/65/717255865.db2.gz RDPPAVTXCSMJEU-KOMQPUFPSA-N -1 3 342.439 2.763 20 30 EFEDHM C=CC(C)(C)C(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000979870520 717528555 /nfs/dbraw/zinc/52/85/55/717528555.db2.gz BFPAUIOJPXXLSE-IMJJTQAJSA-N -1 3 342.439 2.571 20 30 EFEDHM C=C1CCC(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC000982477256 720290801 /nfs/dbraw/zinc/29/08/01/720290801.db2.gz JTDVRAQRCOTBNE-HNNXBMFYSA-N -1 3 342.439 2.717 20 30 EFEDHM Cc1ccc2c(c1)CC[C@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)O2 ZINC000330003196 720827555 /nfs/dbraw/zinc/82/75/55/720827555.db2.gz BNTUFBUZJQHURL-LLVKDONJSA-N -1 3 340.305 2.982 20 30 EFEDHM CC(C)(C)C1=CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000330140128 720832554 /nfs/dbraw/zinc/83/25/54/720832554.db2.gz WUFOWELJWGZNMD-UHFFFAOYSA-N -1 3 331.342 2.916 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC000974723107 721356822 /nfs/dbraw/zinc/35/68/22/721356822.db2.gz QJNFLHKIUFLNBH-GDBMZVCRSA-N -1 3 342.439 2.667 20 30 EFEDHM COc1ccc(C=[NH+][N-]c2ncnc3[n-]cnc32)cc1OCC(C)C ZINC000917555161 728759512 /nfs/dbraw/zinc/75/95/12/728759512.db2.gz QEBQLEWKAHQAHG-UHFFFAOYSA-N -1 3 340.387 2.842 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC000983519188 722678133 /nfs/dbraw/zinc/67/81/33/722678133.db2.gz CTLLRXOHMGCLCR-LSDHHAIUSA-N -1 3 342.439 2.906 20 30 EFEDHM C=C(C)C(C)(C)C(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059195982 722885789 /nfs/dbraw/zinc/88/57/89/722885789.db2.gz NGTPUURGWIIQHH-HNNXBMFYSA-N -1 3 344.455 2.963 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)F)C1CCC1 ZINC000895149346 723464540 /nfs/dbraw/zinc/46/45/40/723464540.db2.gz XQWOAFPMBXUYIA-UHFFFAOYSA-N -1 3 337.370 2.855 20 30 EFEDHM O=C1[C@@H](NCc2cccc(Cl)c2Br)CCCN1[O-] ZINC000895156591 723482514 /nfs/dbraw/zinc/48/25/14/723482514.db2.gz DNWQLTBYCJZLKZ-JTQLQIEISA-N -1 3 333.613 2.572 20 30 EFEDHM O=C1[C@@H](NCc2cnc(-c3ccc(Cl)cc3)s2)CCCN1[O-] ZINC000895159065 723487403 /nfs/dbraw/zinc/48/74/03/723487403.db2.gz RKHHCJXTCFPANO-ZDUSSCGKSA-N -1 3 337.832 2.933 20 30 EFEDHM O=C1[C@@H](NCc2ccc(Cl)c(Br)c2)CCCN1[O-] ZINC000895161348 723492416 /nfs/dbraw/zinc/49/24/16/723492416.db2.gz FUUOLHNVZIJFGN-NSHDSACASA-N -1 3 333.613 2.572 20 30 EFEDHM COc1ccc(-c2ccccc2)cc1CN[C@@H]1CCCN([O-])C1=O ZINC000895161354 723492485 /nfs/dbraw/zinc/49/24/85/723492485.db2.gz FVOVPURXDQEHGY-QGZVFWFLSA-N -1 3 326.396 2.832 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCOc2ccccc21 ZINC000728429999 724014684 /nfs/dbraw/zinc/01/46/84/724014684.db2.gz WDLOZHNTSCPALR-UHFFFAOYSA-N -1 3 330.409 2.683 20 30 EFEDHM Cc1nc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)sc1C ZINC000174678572 725620185 /nfs/dbraw/zinc/62/01/85/725620185.db2.gz MWIVDTIUUXTCQG-UHFFFAOYSA-N -1 3 345.424 2.613 20 30 EFEDHM COc1ccc2c(c1)C(=N[N-]c1ncccc1C(F)(F)F)C(=O)N2 ZINC000915050571 726850175 /nfs/dbraw/zinc/85/01/75/726850175.db2.gz VZOSVARBKQPHIL-UHFFFAOYSA-N -1 3 336.273 2.877 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](O)c2ccc3ccccc3c2)c1[O-] ZINC000731488306 726879569 /nfs/dbraw/zinc/87/95/69/726879569.db2.gz CXOVDLHANZFYID-ZRRZKUONSA-N -1 3 336.391 2.894 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1cncc([O-])c1 ZINC000732392453 727064115 /nfs/dbraw/zinc/06/41/15/727064115.db2.gz VYKQZGSPBFLAKC-GFCCVEGCSA-N -1 3 346.408 2.609 20 30 EFEDHM C=CCN(CC=C)C(=O)CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000153711746 727128450 /nfs/dbraw/zinc/12/84/50/727128450.db2.gz VNEUPXBBOWKRRT-UHFFFAOYSA-N -1 3 338.407 2.631 20 30 EFEDHM Cc1cc(C)nc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000908816790 727267928 /nfs/dbraw/zinc/26/79/28/727267928.db2.gz OUBUGOBDCAYXOH-UHFFFAOYSA-N -1 3 339.395 2.964 20 30 EFEDHM N#Cc1cccnc1NC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001060203014 727271670 /nfs/dbraw/zinc/27/16/70/727271670.db2.gz JSMZQTCJCBBIPP-HNNXBMFYSA-N -1 3 336.395 2.766 20 30 EFEDHM Cc1ccc(C)c(NC(=S)NN=C2C(=O)Nc3cc([O-])ccc32)c1 ZINC000915938257 727643037 /nfs/dbraw/zinc/64/30/37/727643037.db2.gz UBZNSHLGVORYIE-UHFFFAOYSA-N -1 3 340.408 2.652 20 30 EFEDHM C=C(C)CNC(=S)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000044197202 727669166 /nfs/dbraw/zinc/66/91/66/727669166.db2.gz YTAYBDHHBCODAK-UHFFFAOYSA-N -1 3 328.441 2.862 20 30 EFEDHM COCc1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000171878189 728557367 /nfs/dbraw/zinc/55/73/67/728557367.db2.gz VQKJIZVHWPQXKA-UHFFFAOYSA-N -1 3 340.379 2.548 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000939482473 728963237 /nfs/dbraw/zinc/96/32/37/728963237.db2.gz NSGBGCRYORQWIS-IFXJQAMLSA-N -1 3 330.428 2.667 20 30 EFEDHM CO[C@H](C)C(=O)Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000920833183 729235433 /nfs/dbraw/zinc/23/54/33/729235433.db2.gz HMDDBGKBEWSQMW-SNVBAGLBSA-N -1 3 330.340 2.527 20 30 EFEDHM [O-]c1ccc(Br)cc1C=Nc1ccc(-n2cnnn2)cc1 ZINC000920941939 729245353 /nfs/dbraw/zinc/24/53/53/729245353.db2.gz ALBZMVHLOMHPOE-UHFFFAOYSA-N -1 3 344.172 2.881 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc(F)ccc1OC ZINC000921468216 729454773 /nfs/dbraw/zinc/45/47/73/729454773.db2.gz KKJYQUZIQPACQH-ZDUSSCGKSA-N -1 3 349.387 2.531 20 30 EFEDHM CC1(C)Cc2cccc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c2O1 ZINC000820607205 945499057 /nfs/dbraw/zinc/49/90/57/945499057.db2.gz MIOAHVKNFPNYJT-UHFFFAOYSA-N -1 3 348.410 2.704 20 30 EFEDHM CC1(C)Cc2cccc(C=NNCc3ccc(-c4nn[n-]n4)cc3)c2O1 ZINC000820607205 945499061 /nfs/dbraw/zinc/49/90/61/945499061.db2.gz MIOAHVKNFPNYJT-UHFFFAOYSA-N -1 3 348.410 2.704 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823894051 946500779 /nfs/dbraw/zinc/50/07/79/946500779.db2.gz GEEQSYVPDAQZDA-CYBMUJFWSA-N -1 3 328.420 2.753 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823894051 946500791 /nfs/dbraw/zinc/50/07/91/946500791.db2.gz GEEQSYVPDAQZDA-CYBMUJFWSA-N -1 3 328.420 2.753 20 30 EFEDHM C=CCCOCCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823898907 946507318 /nfs/dbraw/zinc/50/73/18/946507318.db2.gz FJFHQUFEAUUFOE-UHFFFAOYSA-N -1 3 334.351 2.674 20 30 EFEDHM C=CCCOCCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000823898907 946507324 /nfs/dbraw/zinc/50/73/24/946507324.db2.gz FJFHQUFEAUUFOE-UHFFFAOYSA-N -1 3 334.351 2.674 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC[C@H](C)C1 ZINC000823909355 946512027 /nfs/dbraw/zinc/51/20/27/946512027.db2.gz AHMMQGPYJZDWMZ-BBRMVZONSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC[C@H](C)C1 ZINC000823909355 946512032 /nfs/dbraw/zinc/51/20/32/946512032.db2.gz AHMMQGPYJZDWMZ-BBRMVZONSA-N -1 3 325.416 2.818 20 30 EFEDHM C[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824034941 946561713 /nfs/dbraw/zinc/56/17/13/946561713.db2.gz QMVZRUNLKPSDHF-STQMWFEESA-N -1 3 346.394 2.871 20 30 EFEDHM C#C[C@H]1CCCCN1Cc1cc(-c2nnn[n-]2)ccc1Br ZINC001573279176 946632611 /nfs/dbraw/zinc/63/26/11/946632611.db2.gz CULOIYSIEMLNSR-ZDUSSCGKSA-N -1 3 346.232 2.617 20 30 EFEDHM C#C[C@H]1CCCCN1Cc1cc(-c2nn[n-]n2)ccc1Br ZINC001573279176 946632616 /nfs/dbraw/zinc/63/26/16/946632616.db2.gz CULOIYSIEMLNSR-ZDUSSCGKSA-N -1 3 346.232 2.617 20 30 EFEDHM C#CCN(C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)C1CCCCC1 ZINC001573283390 946715029 /nfs/dbraw/zinc/71/50/29/946715029.db2.gz RSSOJKJGDNLRGX-UHFFFAOYSA-N -1 3 337.427 2.892 20 30 EFEDHM C#CCN(C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)C1CCCCC1 ZINC001573283390 946715039 /nfs/dbraw/zinc/71/50/39/946715039.db2.gz RSSOJKJGDNLRGX-UHFFFAOYSA-N -1 3 337.427 2.892 20 30 EFEDHM C#CCOc1cccc(OC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)c1 ZINC001573287584 946839871 /nfs/dbraw/zinc/83/98/71/946839871.db2.gz DPWBJHLJHLXLKT-UHFFFAOYSA-N -1 3 348.362 2.715 20 30 EFEDHM C#CCOc1cccc(OC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)c1 ZINC001573287584 946839885 /nfs/dbraw/zinc/83/98/85/946839885.db2.gz DPWBJHLJHLXLKT-UHFFFAOYSA-N -1 3 348.362 2.715 20 30 EFEDHM C#Cc1ccccc1CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001573291136 946915216 /nfs/dbraw/zinc/91/52/16/946915216.db2.gz WXDRIDFZVAOULW-ZDUSSCGKSA-N -1 3 332.363 2.695 20 30 EFEDHM C#Cc1ccccc1CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001573291136 946915225 /nfs/dbraw/zinc/91/52/25/946915225.db2.gz WXDRIDFZVAOULW-ZDUSSCGKSA-N -1 3 332.363 2.695 20 30 EFEDHM C#Cc1ccc(NC(=O)c2cscc2-c2nnn[n-]2)c(Cl)c1 ZINC001573291301 946916846 /nfs/dbraw/zinc/91/68/46/946916846.db2.gz ZIGHGYLVEIPLMO-UHFFFAOYSA-N -1 3 329.772 2.815 20 30 EFEDHM C#Cc1ccc(NC(=O)c2cscc2-c2nn[n-]n2)c(Cl)c1 ZINC001573291301 946916852 /nfs/dbraw/zinc/91/68/52/946916852.db2.gz ZIGHGYLVEIPLMO-UHFFFAOYSA-N -1 3 329.772 2.815 20 30 EFEDHM C=C(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001573295944 947034473 /nfs/dbraw/zinc/03/44/73/947034473.db2.gz WDOYOODACUQGCB-UHFFFAOYSA-N -1 3 336.355 2.959 20 30 EFEDHM C=C[C@H](C)ONC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001573316473 947277411 /nfs/dbraw/zinc/27/74/11/947277411.db2.gz HLUGPMVTWQFPSC-ZETCQYMHSA-N -1 3 342.281 2.513 20 30 EFEDHM C=C[C@H](C)ONC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001573316473 947277421 /nfs/dbraw/zinc/27/74/21/947277421.db2.gz HLUGPMVTWQFPSC-ZETCQYMHSA-N -1 3 342.281 2.513 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC001573325791 947361870 /nfs/dbraw/zinc/36/18/70/947361870.db2.gz GYOQVPLNZHLTBV-ZDUSSCGKSA-N -1 3 339.424 2.845 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC001573325791 947361885 /nfs/dbraw/zinc/36/18/85/947361885.db2.gz GYOQVPLNZHLTBV-ZDUSSCGKSA-N -1 3 339.424 2.845 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)CCCC1 ZINC001573328739 947413574 /nfs/dbraw/zinc/41/35/74/947413574.db2.gz BISBYNSLSFUUJI-UHFFFAOYSA-N -1 3 327.388 2.950 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)CCCC1 ZINC001573328739 947413578 /nfs/dbraw/zinc/41/35/78/947413578.db2.gz BISBYNSLSFUUJI-UHFFFAOYSA-N -1 3 327.388 2.950 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001573329459 947420886 /nfs/dbraw/zinc/42/08/86/947420886.db2.gz KCNWVSNBCRBZSX-DOMZBBRYSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001573329459 947420901 /nfs/dbraw/zinc/42/09/01/947420901.db2.gz KCNWVSNBCRBZSX-DOMZBBRYSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CCn1cc2ccc(NC(=O)c3cccc(-c4nnn[n-]4)c3)cc2n1 ZINC001573351835 947621402 /nfs/dbraw/zinc/62/14/02/947621402.db2.gz VWDNQCWAMMDYMJ-UHFFFAOYSA-N -1 3 345.366 2.655 20 30 EFEDHM C=CCn1cc2ccc(NC(=O)c3cccc(-c4nn[n-]n4)c3)cc2n1 ZINC001573351835 947621414 /nfs/dbraw/zinc/62/14/14/947621414.db2.gz VWDNQCWAMMDYMJ-UHFFFAOYSA-N -1 3 345.366 2.655 20 30 EFEDHM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401085 948220225 /nfs/dbraw/zinc/22/02/25/948220225.db2.gz PAXAWDWKPVBBBH-FNORWQNLSA-N -1 3 338.298 2.631 20 30 EFEDHM O=C(C=Cc1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401085 948220233 /nfs/dbraw/zinc/22/02/33/948220233.db2.gz PAXAWDWKPVBBBH-FNORWQNLSA-N -1 3 338.298 2.631 20 30 EFEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)[C@@H](C)C(C)(C)C ZINC001573756945 948826041 /nfs/dbraw/zinc/82/60/41/948826041.db2.gz WDTKNGAOUCNQNI-GHMZBOCLSA-N -1 3 326.404 2.995 20 30 EFEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)[C@@H](C)C(C)(C)C ZINC001573756945 948826050 /nfs/dbraw/zinc/82/60/50/948826050.db2.gz WDTKNGAOUCNQNI-GHMZBOCLSA-N -1 3 326.404 2.995 20 30 EFEDHM COCCN(CCC(=O)[O-])Cc1ccc(C#N)cc1C(F)(F)F ZINC000903712374 956910554 /nfs/dbraw/zinc/91/05/54/956910554.db2.gz LCWQTTPKXKOCBY-UHFFFAOYSA-N -1 3 330.306 2.500 20 30 EFEDHM C=CCCSCCNCc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001588460711 958479903 /nfs/dbraw/zinc/47/99/03/958479903.db2.gz UNPPEODZBVWHGT-AWEZNQCLSA-N -1 3 338.473 2.980 20 30 EFEDHM C=CCCC[C@H](NC(=O)c1ccc(NC2=NCCC2)cc1)C(=O)[O-] ZINC001573367652 963069181 /nfs/dbraw/zinc/06/91/81/963069181.db2.gz YXPLSVMLZVZWGM-HNNXBMFYSA-N -1 3 329.400 2.830 20 30 EFEDHM C=CCOC[C@@H](NCc1cccc(Br)c1Cl)C(=O)[O-] ZINC001573369771 963101280 /nfs/dbraw/zinc/10/12/80/963101280.db2.gz ZVYHSXABNIGUCA-LLVKDONJSA-N -1 3 348.624 2.848 20 30 EFEDHM C[C@@](CCF)(NCc1ccc(C#N)cc1Br)C(=O)[O-] ZINC001592507936 978330290 /nfs/dbraw/zinc/33/02/90/978330290.db2.gz XBKNUAXNZOWFCF-ZDUSSCGKSA-N -1 3 329.169 2.613 20 30 EFEDHM CC(C)CN(CC(=O)[O-])CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000737622511 978424423 /nfs/dbraw/zinc/42/44/23/978424423.db2.gz CHMCOHGOJMDGBL-GFCCVEGCSA-N -1 3 345.424 2.515 20 30 EFEDHM CC(C)CN(CC(=O)[O-])CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000737622515 978424537 /nfs/dbraw/zinc/42/45/37/978424537.db2.gz CHMCOHGOJMDGBL-LBPRGKRZSA-N -1 3 345.424 2.515 20 30 EFEDHM CC[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1c(C)nn(C)c1C ZINC001595276768 980301485 /nfs/dbraw/zinc/30/14/85/980301485.db2.gz KILIYZMPRRCNTP-DOTOQJQBSA-N -1 3 326.400 2.775 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCCN(Cc3ccc(C(=O)[O-])cc3)C2)nc1 ZINC000903709341 981017602 /nfs/dbraw/zinc/01/76/02/981017602.db2.gz GJBJPEAHVOYQLD-KRWDZBQOSA-N -1 3 336.395 2.728 20 30 EFEDHM C#Cc1ccc(NC(=O)CCN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001588517121 983563662 /nfs/dbraw/zinc/56/36/62/983563662.db2.gz MRKDLMLTMXWWGG-LJQANCHMSA-N -1 3 348.402 2.681 20 30 EFEDHM C=CCCn1cc(CN[C@](C)(Cc2ccc(Cl)cc2)C(=O)[O-])nn1 ZINC001588819835 984279289 /nfs/dbraw/zinc/27/92/89/984279289.db2.gz DQKBGZARRCPTMW-QGZVFWFLSA-N -1 3 348.834 2.683 20 30 EFEDHM C=CCN1CCC(NC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CC1 ZINC001588838565 984339361 /nfs/dbraw/zinc/33/93/61/984339361.db2.gz GUHKFVQZFYMURL-UHFFFAOYSA-N -1 3 331.416 2.774 20 30 EFEDHM CC(=O)[C@](C#N)(CCN1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC001589021152 985011663 /nfs/dbraw/zinc/01/16/63/985011663.db2.gz MGZHYDUEACUMJE-FXAWDEMLSA-N -1 3 340.423 2.614 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CN[C@](C)(CC(=O)[O-])c2ccncc2)cc1 ZINC001589334584 986203763 /nfs/dbraw/zinc/20/37/63/986203763.db2.gz HDYQCVQFUSVCGX-IFXJQAMLSA-N -1 3 339.395 2.852 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC001589335363 986208613 /nfs/dbraw/zinc/20/86/13/986208613.db2.gz PBTUMUIOWPEQEP-SJKOYZFVSA-N -1 3 326.352 2.599 20 30 EFEDHM C[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H]1CC(=O)[O-] ZINC001599866311 989266046 /nfs/dbraw/zinc/26/60/46/989266046.db2.gz ZOOHEJVSNSXBIZ-ZYHUDNBSSA-N -1 3 337.217 2.863 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc([S@@](C)=O)cc1 ZINC001593190469 994122294 /nfs/dbraw/zinc/12/22/94/994122294.db2.gz OOGSBNAHJFPCLV-PCJQFBCGSA-N -1 3 342.420 2.772 20 30 EFEDHM C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593270874 994597258 /nfs/dbraw/zinc/59/72/58/994597258.db2.gz ANMBRKNCCOGFQJ-GFCCVEGCSA-N -1 3 326.352 2.692 20 30 EFEDHM COc1ccc([C@H](N[C@H](C(=O)[O-])c2ccc(C#N)cc2)C2CC2)cn1 ZINC001599529178 997618926 /nfs/dbraw/zinc/61/89/26/997618926.db2.gz VHCGPUXSROPMPV-MSOLQXFVSA-N -1 3 337.379 2.828 20 30 EFEDHM COC(=O)c1cccc([C@@H](NCc2ccc(C)c(C#N)c2)C(=O)[O-])c1 ZINC001598994528 998766586 /nfs/dbraw/zinc/76/65/86/998766586.db2.gz GNFXURXEEISGMK-QGZVFWFLSA-N -1 3 338.363 2.569 20 30 EFEDHM C[C@H]1CC(Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)C[C@H](C)C1 ZINC001575969874 1088815915 /nfs/dbraw/zinc/81/59/15/1088815915.db2.gz MFKNAZWRUHZBNS-RKDXNWHRSA-N -1 3 329.433 2.632 20 30 EFEDHM C[C@H]1CC(Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)C[C@H](C)C1 ZINC001575969874 1088815933 /nfs/dbraw/zinc/81/59/33/1088815933.db2.gz MFKNAZWRUHZBNS-RKDXNWHRSA-N -1 3 329.433 2.632 20 30 EFEDHM C[C@H]1C[C@H](Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)C[C@@H](C)C1 ZINC001575969872 1088816924 /nfs/dbraw/zinc/81/69/24/1088816924.db2.gz MFKNAZWRUHZBNS-JZYVYDRUSA-N -1 3 329.433 2.632 20 30 EFEDHM C[C@H]1C[C@H](Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)C[C@@H](C)C1 ZINC001575969872 1088816940 /nfs/dbraw/zinc/81/69/40/1088816940.db2.gz MFKNAZWRUHZBNS-JZYVYDRUSA-N -1 3 329.433 2.632 20 30 EFEDHM CCOc1cccc([C@@H]2C[C@H]2/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC001647176330 1089039014 /nfs/dbraw/zinc/03/90/14/1089039014.db2.gz WBYOERPSRBVNET-JKSUJKDBSA-N -1 3 342.420 2.680 20 30 EFEDHM CCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001577504981 1090015969 /nfs/dbraw/zinc/01/59/69/1090015969.db2.gz HJGHDXSUFLPYFS-UHFFFAOYSA-N -1 3 331.420 2.966 20 30 EFEDHM CCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001577504981 1090015979 /nfs/dbraw/zinc/01/59/79/1090015979.db2.gz HJGHDXSUFLPYFS-UHFFFAOYSA-N -1 3 331.420 2.966 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001578495108 1090387157 /nfs/dbraw/zinc/38/71/57/1090387157.db2.gz BNTMCJNGQHHAQK-UHFFFAOYSA-N -1 3 349.350 2.529 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001578495108 1090387164 /nfs/dbraw/zinc/38/71/64/1090387164.db2.gz BNTMCJNGQHHAQK-UHFFFAOYSA-N -1 3 349.350 2.529 20 30 EFEDHM COc1ccc(NC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)cc1C#N ZINC001580041901 1090752181 /nfs/dbraw/zinc/75/21/81/1090752181.db2.gz NHDTVCNARFEDMN-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(NC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)cc1C#N ZINC001580041901 1090752186 /nfs/dbraw/zinc/75/21/86/1090752186.db2.gz NHDTVCNARFEDMN-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001580080000 1090766802 /nfs/dbraw/zinc/76/68/02/1090766802.db2.gz URQTUDYBNUJIST-QFBILLFUSA-N -1 3 346.394 2.889 20 30 EFEDHM COc1ccccc1[C@@]1(C)C[C@@H]1Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001580080000 1090766807 /nfs/dbraw/zinc/76/68/07/1090766807.db2.gz URQTUDYBNUJIST-QFBILLFUSA-N -1 3 346.394 2.889 20 30 EFEDHM CSc1ccc(CNc2ccc(-c3nnn[n-]3)c(C)n2)cc1C#N ZINC001580234805 1090822452 /nfs/dbraw/zinc/82/24/52/1090822452.db2.gz HHPBASMMQSEQQI-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM CSc1ccc(CNc2ccc(-c3nn[n-]n3)c(C)n2)cc1C#N ZINC001580234805 1090822457 /nfs/dbraw/zinc/82/24/57/1090822457.db2.gz HHPBASMMQSEQQI-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N(C)c1ccc(C#N)cc1 ZINC001580610380 1090965966 /nfs/dbraw/zinc/96/59/66/1090965966.db2.gz LYJUWQSZOLKKBV-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(C)c1ccc(C#N)cc1 ZINC001580610380 1090965967 /nfs/dbraw/zinc/96/59/67/1090965967.db2.gz LYJUWQSZOLKKBV-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001580769011 1091002814 /nfs/dbraw/zinc/00/28/14/1091002814.db2.gz WOGNRHBAQSOSRS-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001580769011 1091002821 /nfs/dbraw/zinc/00/28/21/1091002821.db2.gz WOGNRHBAQSOSRS-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1cc(N(Cc2ccc(C#N)cc2)C2CC2)ncc1-c1nnn[n-]1 ZINC001580950545 1091049428 /nfs/dbraw/zinc/04/94/28/1091049428.db2.gz UQTQVOIKVWGVHN-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM Cc1cc(N(Cc2ccc(C#N)cc2)C2CC2)ncc1-c1nn[n-]n1 ZINC001580950545 1091049435 /nfs/dbraw/zinc/04/94/35/1091049435.db2.gz UQTQVOIKVWGVHN-UHFFFAOYSA-N -1 3 331.383 2.611 20 30 EFEDHM N#CCc1ccc(NC(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)cc1 ZINC001581859631 1091322446 /nfs/dbraw/zinc/32/24/46/1091322446.db2.gz MZKPKUXYOGNYIS-UHFFFAOYSA-N -1 3 343.350 2.666 20 30 EFEDHM N#CCc1ccc(NC(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)cc1 ZINC001581859631 1091322457 /nfs/dbraw/zinc/32/24/57/1091322457.db2.gz MZKPKUXYOGNYIS-UHFFFAOYSA-N -1 3 343.350 2.666 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2CCc3cc(F)ccc32)ccc1-c1nnn[n-]1 ZINC001581866800 1091323167 /nfs/dbraw/zinc/32/31/67/1091323167.db2.gz VPTJTSFDEXVJCZ-MRXNPFEDSA-N -1 3 348.341 2.546 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2CCc3cc(F)ccc32)ccc1-c1nn[n-]n1 ZINC001581866800 1091323178 /nfs/dbraw/zinc/32/31/78/1091323178.db2.gz VPTJTSFDEXVJCZ-MRXNPFEDSA-N -1 3 348.341 2.546 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001581866737 1091323644 /nfs/dbraw/zinc/32/36/44/1091323644.db2.gz SBBPLORIJFKQRA-YJBOKZPZSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@]2(F)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001581866737 1091323651 /nfs/dbraw/zinc/32/36/51/1091323651.db2.gz SBBPLORIJFKQRA-YJBOKZPZSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1cc(Sc2ccc(-c3nnn[n-]3)cc2)c([N+](=O)[O-])s1 ZINC001581870902 1091326624 /nfs/dbraw/zinc/32/66/24/1091326624.db2.gz XPSNTZHZRQFGLP-UHFFFAOYSA-N -1 3 330.354 2.859 20 30 EFEDHM N#Cc1cc(Sc2ccc(-c3nn[n-]n3)cc2)c([N+](=O)[O-])s1 ZINC001581870902 1091326635 /nfs/dbraw/zinc/32/66/35/1091326635.db2.gz XPSNTZHZRQFGLP-UHFFFAOYSA-N -1 3 330.354 2.859 20 30 EFEDHM N#Cc1cc(Oc2cc(Br)ccc2-c2nnn[n-]2)ccn1 ZINC001581870920 1091326882 /nfs/dbraw/zinc/32/68/82/1091326882.db2.gz YHWAWPUKCVIKPC-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1cc(Oc2cc(Br)ccc2-c2nn[n-]n2)ccn1 ZINC001581870920 1091326889 /nfs/dbraw/zinc/32/68/89/1091326889.db2.gz YHWAWPUKCVIKPC-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1ccc(NC(=O)c2csc(-c3nnn[n-]3)c2)c(C2CC2)c1 ZINC001581873258 1091329269 /nfs/dbraw/zinc/32/92/69/1091329269.db2.gz VGGUWAHPLGBTAP-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cccc([N+](=O)[O-])c1CSc1cccc(-c2nnn[n-]2)c1 ZINC001581875948 1091329306 /nfs/dbraw/zinc/32/93/06/1091329306.db2.gz YWZWUPQTZRRTJT-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1cccc([N+](=O)[O-])c1CSc1cccc(-c2nn[n-]n2)c1 ZINC001581875948 1091329314 /nfs/dbraw/zinc/32/93/14/1091329314.db2.gz YWZWUPQTZRRTJT-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1cccc(SCC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001581875737 1091329351 /nfs/dbraw/zinc/32/93/51/1091329351.db2.gz MVYRPHCSTJKTGJ-UHFFFAOYSA-N -1 3 335.392 2.642 20 30 EFEDHM N#Cc1cccc(SCC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001581875737 1091329362 /nfs/dbraw/zinc/32/93/62/1091329362.db2.gz MVYRPHCSTJKTGJ-UHFFFAOYSA-N -1 3 335.392 2.642 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)cc1-c1nnn[n-]1 ZINC001581873315 1091329511 /nfs/dbraw/zinc/32/95/11/1091329511.db2.gz XRQPYVMZOGAAFJ-OAHLLOKOSA-N -1 3 348.341 2.546 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2CCc3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC001581873315 1091329523 /nfs/dbraw/zinc/32/95/23/1091329523.db2.gz XRQPYVMZOGAAFJ-OAHLLOKOSA-N -1 3 348.341 2.546 20 30 EFEDHM O=C(CC#Cc1ccccc1)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001581956179 1091339724 /nfs/dbraw/zinc/33/97/24/1091339724.db2.gz PNTNXXGGSLLTAH-UHFFFAOYSA-N -1 3 339.305 2.525 20 30 EFEDHM O=C(CC#Cc1ccccc1)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001581956179 1091339736 /nfs/dbraw/zinc/33/97/36/1091339736.db2.gz PNTNXXGGSLLTAH-UHFFFAOYSA-N -1 3 339.305 2.525 20 30 EFEDHM C=CCCC(=O)COc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001588564291 1091914964 /nfs/dbraw/zinc/91/49/64/1091914964.db2.gz LDGNXEFOMPIKMM-UHFFFAOYSA-N -1 3 337.177 2.543 20 30 EFEDHM C=CCCC(=O)COc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001588564291 1091914967 /nfs/dbraw/zinc/91/49/67/1091914967.db2.gz LDGNXEFOMPIKMM-UHFFFAOYSA-N -1 3 337.177 2.543 20 30 EFEDHM Cn1c2cc(F)c([N-]C(=O)c3c(F)cc(C#N)cc3F)cc2oc1=O ZINC001583409601 1091994149 /nfs/dbraw/zinc/99/41/49/1091994149.db2.gz LHMJKIBGUAMSKW-UHFFFAOYSA-N -1 3 347.252 2.673 20 30 EFEDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)n[n-]2)o1 ZINC001648629348 1092243246 /nfs/dbraw/zinc/24/32/46/1092243246.db2.gz BCDSIJBGDXDJIR-UONOGXRCSA-N -1 3 333.351 2.987 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001587623588 1092832236 /nfs/dbraw/zinc/83/22/36/1092832236.db2.gz ZNFUJBXLVLCMMP-LBPRGKRZSA-N -1 3 332.367 2.556 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001587623588 1092832256 /nfs/dbraw/zinc/83/22/56/1092832256.db2.gz ZNFUJBXLVLCMMP-LBPRGKRZSA-N -1 3 332.367 2.556 20 30 EFEDHM C#C[C@@H](CC)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588325944 1092924133 /nfs/dbraw/zinc/92/41/33/1092924133.db2.gz AGDDYMBDLGQTIB-HNNXBMFYSA-N -1 3 347.378 2.801 20 30 EFEDHM C#C[C@@H](CC)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588325944 1092924145 /nfs/dbraw/zinc/92/41/45/1092924145.db2.gz AGDDYMBDLGQTIB-HNNXBMFYSA-N -1 3 347.378 2.801 20 30 EFEDHM C#C[C@@H](Nc1nc2ncccc2cc1-c1nnn[n-]1)c1ccccc1 ZINC001588328668 1092924885 /nfs/dbraw/zinc/92/48/85/1092924885.db2.gz NEUJBQGVIMWYEC-OAHLLOKOSA-N -1 3 327.351 2.596 20 30 EFEDHM C#C[C@@H](Nc1nc2ncccc2cc1-c1nn[n-]n1)c1ccccc1 ZINC001588328668 1092924896 /nfs/dbraw/zinc/92/48/96/1092924896.db2.gz NEUJBQGVIMWYEC-OAHLLOKOSA-N -1 3 327.351 2.596 20 30 EFEDHM C#CCC(CC#C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588331034 1092924965 /nfs/dbraw/zinc/92/49/65/1092924965.db2.gz JBDDFCHTJCCBKK-UHFFFAOYSA-N -1 3 349.438 2.514 20 30 EFEDHM C#CCC(CC#C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588331034 1092924976 /nfs/dbraw/zinc/92/49/76/1092924976.db2.gz JBDDFCHTJCCBKK-UHFFFAOYSA-N -1 3 349.438 2.514 20 30 EFEDHM C#CCC(C)(C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001588331130 1092925098 /nfs/dbraw/zinc/92/50/98/1092925098.db2.gz OLLHZNAOFZSUAK-UHFFFAOYSA-N -1 3 329.429 2.795 20 30 EFEDHM C#CCC(C)(C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001588331130 1092925104 /nfs/dbraw/zinc/92/51/04/1092925104.db2.gz OLLHZNAOFZSUAK-UHFFFAOYSA-N -1 3 329.429 2.795 20 30 EFEDHM C#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588327958 1092925292 /nfs/dbraw/zinc/92/52/92/1092925292.db2.gz VRUMESQHLHTBKB-GKUQOKNUSA-N -1 3 347.353 2.510 20 30 EFEDHM C#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588327958 1092925301 /nfs/dbraw/zinc/92/53/01/1092925301.db2.gz VRUMESQHLHTBKB-GKUQOKNUSA-N -1 3 347.353 2.510 20 30 EFEDHM C#C[C@H](OC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C)C1CC1 ZINC001588328714 1092925469 /nfs/dbraw/zinc/92/54/69/1092925469.db2.gz OMKDJMFVGLIESN-ZDUSSCGKSA-N -1 3 338.392 2.958 20 30 EFEDHM C#C[C@H](OC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C)C1CC1 ZINC001588328714 1092925478 /nfs/dbraw/zinc/92/54/78/1092925478.db2.gz OMKDJMFVGLIESN-ZDUSSCGKSA-N -1 3 338.392 2.958 20 30 EFEDHM C#C[C@@H](NC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588327375 1092926332 /nfs/dbraw/zinc/92/63/32/1092926332.db2.gz HUKYRHLCXYVHDF-QGZVFWFLSA-N -1 3 345.406 2.635 20 30 EFEDHM C#C[C@@H](NC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588327375 1092926339 /nfs/dbraw/zinc/92/63/39/1092926339.db2.gz HUKYRHLCXYVHDF-QGZVFWFLSA-N -1 3 345.406 2.635 20 30 EFEDHM C#C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001588328331 1092926509 /nfs/dbraw/zinc/92/65/09/1092926509.db2.gz DURFORQBOFVVAJ-AWEZNQCLSA-N -1 3 338.302 2.700 20 30 EFEDHM C#C[C@@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001588328332 1092926921 /nfs/dbraw/zinc/92/69/21/1092926921.db2.gz DURFORQBOFVVAJ-CQSZACIVSA-N -1 3 338.302 2.700 20 30 EFEDHM C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001588326801 1092926995 /nfs/dbraw/zinc/92/69/95/1092926995.db2.gz VKAXMVBBCHNCPU-LBPRGKRZSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001588326801 1092927006 /nfs/dbraw/zinc/92/70/06/1092927006.db2.gz VKAXMVBBCHNCPU-LBPRGKRZSA-N -1 3 348.366 2.802 20 30 EFEDHM C#CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588335290 1092927996 /nfs/dbraw/zinc/92/79/96/1092927996.db2.gz GZFWBSAFTIBNAO-NSHDSACASA-N -1 3 344.806 2.787 20 30 EFEDHM C#CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588335290 1092928004 /nfs/dbraw/zinc/92/80/04/1092928004.db2.gz GZFWBSAFTIBNAO-NSHDSACASA-N -1 3 344.806 2.787 20 30 EFEDHM C#CCC[C@@H](C)OC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588337559 1092928313 /nfs/dbraw/zinc/92/83/13/1092928313.db2.gz SEPGOEKSOXAGRW-LLVKDONJSA-N -1 3 330.363 2.629 20 30 EFEDHM C#CCC[C@@H](C)OC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588337559 1092928319 /nfs/dbraw/zinc/92/83/19/1092928319.db2.gz SEPGOEKSOXAGRW-LLVKDONJSA-N -1 3 330.363 2.629 20 30 EFEDHM C#CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001588335238 1092928507 /nfs/dbraw/zinc/92/85/07/1092928507.db2.gz DQKYZTSNHFQJTK-NSHDSACASA-N -1 3 346.232 2.869 20 30 EFEDHM C#CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001588335238 1092928515 /nfs/dbraw/zinc/92/85/15/1092928515.db2.gz DQKYZTSNHFQJTK-NSHDSACASA-N -1 3 346.232 2.869 20 30 EFEDHM C#CC[C@H](OC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1)C(C)(C)C ZINC001588335111 1092928560 /nfs/dbraw/zinc/92/85/60/1092928560.db2.gz YHGNUOAWIUDWDS-HNNXBMFYSA-N -1 3 341.415 2.528 20 30 EFEDHM C#CC[C@H](OC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1)C(C)(C)C ZINC001588335111 1092928568 /nfs/dbraw/zinc/92/85/68/1092928568.db2.gz YHGNUOAWIUDWDS-HNNXBMFYSA-N -1 3 341.415 2.528 20 30 EFEDHM C#CC[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccc(C)cc32)C1 ZINC001588335548 1092929744 /nfs/dbraw/zinc/92/97/44/1092929744.db2.gz QRFUZUNVHXYYHW-CQSZACIVSA-N -1 3 332.411 2.963 20 30 EFEDHM C#CC[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccc(C)cc32)C1 ZINC001588335548 1092929757 /nfs/dbraw/zinc/92/97/57/1092929757.db2.gz QRFUZUNVHXYYHW-CQSZACIVSA-N -1 3 332.411 2.963 20 30 EFEDHM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588335289 1092929845 /nfs/dbraw/zinc/92/98/45/1092929845.db2.gz GZFWBSAFTIBNAO-LLVKDONJSA-N -1 3 344.806 2.787 20 30 EFEDHM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588335289 1092929853 /nfs/dbraw/zinc/92/98/53/1092929853.db2.gz GZFWBSAFTIBNAO-LLVKDONJSA-N -1 3 344.806 2.787 20 30 EFEDHM C#CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC001588334710 1092930030 /nfs/dbraw/zinc/93/00/30/1092930030.db2.gz HOSCSAUHPUCCTH-UHFFFAOYSA-N -1 3 342.378 2.854 20 30 EFEDHM C#CCC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CCCCC1 ZINC001588334710 1092930036 /nfs/dbraw/zinc/93/00/36/1092930036.db2.gz HOSCSAUHPUCCTH-UHFFFAOYSA-N -1 3 342.378 2.854 20 30 EFEDHM C#CC[C@H](NC(=O)Nc1sccc1-c1nnn[n-]1)c1ccccc1 ZINC001588334040 1092930081 /nfs/dbraw/zinc/93/00/81/1092930081.db2.gz MJFODWYRUGPAOL-ZDUSSCGKSA-N -1 3 338.396 2.814 20 30 EFEDHM C#CC[C@H](NC(=O)Nc1sccc1-c1nn[n-]n1)c1ccccc1 ZINC001588334040 1092930087 /nfs/dbraw/zinc/93/00/87/1092930087.db2.gz MJFODWYRUGPAOL-ZDUSSCGKSA-N -1 3 338.396 2.814 20 30 EFEDHM C#CCC1(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001588334717 1092930156 /nfs/dbraw/zinc/93/01/56/1092930156.db2.gz HYDFKRMFRFKTKU-UHFFFAOYSA-N -1 3 337.427 2.799 20 30 EFEDHM C#CCC1(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001588334717 1092930164 /nfs/dbraw/zinc/93/01/64/1092930164.db2.gz HYDFKRMFRFKTKU-UHFFFAOYSA-N -1 3 337.427 2.799 20 30 EFEDHM C#CCOc1cccc(NC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)c1 ZINC001588363184 1092930921 /nfs/dbraw/zinc/93/09/21/1092930921.db2.gz PIWUKFQSECCDFS-UHFFFAOYSA-N -1 3 347.378 2.748 20 30 EFEDHM C#CCOc1cccc(NC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC001588363184 1092930930 /nfs/dbraw/zinc/93/09/30/1092930930.db2.gz PIWUKFQSECCDFS-UHFFFAOYSA-N -1 3 347.378 2.748 20 30 EFEDHM C#CCCc1noc(C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)n1 ZINC001588347021 1092931308 /nfs/dbraw/zinc/93/13/08/1092931308.db2.gz FQGAXAQOXBKCAP-UHFFFAOYSA-N -1 3 334.383 2.676 20 30 EFEDHM C#CCCc1noc(C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)n1 ZINC001588347021 1092931317 /nfs/dbraw/zinc/93/13/17/1092931317.db2.gz FQGAXAQOXBKCAP-UHFFFAOYSA-N -1 3 334.383 2.676 20 30 EFEDHM C#CCCCCNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588345457 1092932827 /nfs/dbraw/zinc/93/28/27/1092932827.db2.gz APIRXVKQWYMXLI-UHFFFAOYSA-N -1 3 338.198 2.707 20 30 EFEDHM C#CCCCCNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588345457 1092932835 /nfs/dbraw/zinc/93/28/35/1092932835.db2.gz APIRXVKQWYMXLI-UHFFFAOYSA-N -1 3 338.198 2.707 20 30 EFEDHM C#CCCCCCC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588345204 1092932934 /nfs/dbraw/zinc/93/29/34/1092932934.db2.gz VEULZEUUHNLMFA-KRWDZBQOSA-N -1 3 337.427 2.944 20 30 EFEDHM C#CCCCCCC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588345204 1092932939 /nfs/dbraw/zinc/93/29/39/1092932939.db2.gz VEULZEUUHNLMFA-KRWDZBQOSA-N -1 3 337.427 2.944 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588377095 1092934005 /nfs/dbraw/zinc/93/40/05/1092934005.db2.gz OXQMVWBTYSZTNG-UHFFFAOYSA-N -1 3 343.390 2.907 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588377095 1092934017 /nfs/dbraw/zinc/93/40/17/1092934017.db2.gz OXQMVWBTYSZTNG-UHFFFAOYSA-N -1 3 343.390 2.907 20 30 EFEDHM C#Cc1ccc(NC(=O)C(C)(C)c2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001588373459 1092934170 /nfs/dbraw/zinc/93/41/70/1092934170.db2.gz LOHPHNYAIMAORQ-UHFFFAOYSA-N -1 3 349.369 2.903 20 30 EFEDHM C#Cc1ccc(NC(=O)C(C)(C)c2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001588373459 1092934176 /nfs/dbraw/zinc/93/41/76/1092934176.db2.gz LOHPHNYAIMAORQ-UHFFFAOYSA-N -1 3 349.369 2.903 20 30 EFEDHM C#Cc1ccc(Nc2ncc(-c3nnn[n-]3)cc2Br)cc1 ZINC001588374633 1092935160 /nfs/dbraw/zinc/93/51/60/1092935160.db2.gz FNBMYEBWYWGUNF-UHFFFAOYSA-N -1 3 341.172 2.749 20 30 EFEDHM C#Cc1ccc(Nc2ncc(-c3nn[n-]n3)cc2Br)cc1 ZINC001588374633 1092935168 /nfs/dbraw/zinc/93/51/68/1092935168.db2.gz FNBMYEBWYWGUNF-UHFFFAOYSA-N -1 3 341.172 2.749 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC001588374838 1092935885 /nfs/dbraw/zinc/93/58/85/1092935885.db2.gz RCCUIYYJHCDGHI-UHFFFAOYSA-N -1 3 348.366 2.525 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC001588374838 1092935896 /nfs/dbraw/zinc/93/58/96/1092935896.db2.gz RCCUIYYJHCDGHI-UHFFFAOYSA-N -1 3 348.366 2.525 20 30 EFEDHM C=C(Br)CN1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588386859 1092937359 /nfs/dbraw/zinc/93/73/59/1092937359.db2.gz QFDARBYHFPRKQJ-UHFFFAOYSA-N -1 3 348.248 2.955 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588425419 1092944855 /nfs/dbraw/zinc/94/48/55/1092944855.db2.gz DNBGEDWLCXZBJV-LLVKDONJSA-N -1 3 349.822 2.712 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588425419 1092944866 /nfs/dbraw/zinc/94/48/66/1092944866.db2.gz DNBGEDWLCXZBJV-LLVKDONJSA-N -1 3 349.822 2.712 20 30 EFEDHM C=C1CC(C)(c2noc(C3(c4cccc(-c5nnn[n-]5)c4)CC3)n2)C1 ZINC001588456287 1092946942 /nfs/dbraw/zinc/94/69/42/1092946942.db2.gz KSBLOXPDXUTRIF-UHFFFAOYSA-N -1 3 334.383 2.937 20 30 EFEDHM C=C1CC(C)(c2noc(C3(c4cccc(-c5nn[n-]n5)c4)CC3)n2)C1 ZINC001588456287 1092946950 /nfs/dbraw/zinc/94/69/50/1092946950.db2.gz KSBLOXPDXUTRIF-UHFFFAOYSA-N -1 3 334.383 2.937 20 30 EFEDHM C=C(CC)CNC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588441944 1092947430 /nfs/dbraw/zinc/94/74/30/1092947430.db2.gz KCCARCFTYJVTPH-OAHLLOKOSA-N -1 3 326.404 2.510 20 30 EFEDHM C=C(CC)CNC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588441944 1092947438 /nfs/dbraw/zinc/94/74/38/1092947438.db2.gz KCCARCFTYJVTPH-OAHLLOKOSA-N -1 3 326.404 2.510 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588455584 1092947493 /nfs/dbraw/zinc/94/74/93/1092947493.db2.gz AFDZISILPLWKHV-VVLHAWIVSA-N -1 3 335.411 2.680 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588455584 1092947505 /nfs/dbraw/zinc/94/75/05/1092947505.db2.gz AFDZISILPLWKHV-VVLHAWIVSA-N -1 3 335.411 2.680 20 30 EFEDHM C=C1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC001588462466 1092949063 /nfs/dbraw/zinc/94/90/63/1092949063.db2.gz HUFUJUTXEUCMCU-UHFFFAOYSA-N -1 3 328.326 2.850 20 30 EFEDHM C=C1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC001588462466 1092949071 /nfs/dbraw/zinc/94/90/71/1092949071.db2.gz HUFUJUTXEUCMCU-UHFFFAOYSA-N -1 3 328.326 2.850 20 30 EFEDHM C=C1CCC(CNC(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001588462400 1092949894 /nfs/dbraw/zinc/94/98/94/1092949894.db2.gz MVPHDZLNMKNNFJ-UHFFFAOYSA-N -1 3 344.394 2.551 20 30 EFEDHM C=C1CCC(CNC(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001588462400 1092949904 /nfs/dbraw/zinc/94/99/04/1092949904.db2.gz MVPHDZLNMKNNFJ-UHFFFAOYSA-N -1 3 344.394 2.551 20 30 EFEDHM C=C[C@](C)(CC)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001588497249 1092952618 /nfs/dbraw/zinc/95/26/18/1092952618.db2.gz YMFIFSMDIXVJKJ-QGZVFWFLSA-N -1 3 325.372 2.765 20 30 EFEDHM C=C[C@](C)(CC)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001588497249 1092952632 /nfs/dbraw/zinc/95/26/32/1092952632.db2.gz YMFIFSMDIXVJKJ-QGZVFWFLSA-N -1 3 325.372 2.765 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588493086 1092953119 /nfs/dbraw/zinc/95/31/19/1092953119.db2.gz AGXHTBZILYIUAS-DIFFPNOSSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588493086 1092953125 /nfs/dbraw/zinc/95/31/25/1092953125.db2.gz AGXHTBZILYIUAS-DIFFPNOSSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588527603 1092954413 /nfs/dbraw/zinc/95/44/13/1092954413.db2.gz PTFFNFJWMAPFRT-CYBMUJFWSA-N -1 3 329.429 2.526 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588527603 1092954422 /nfs/dbraw/zinc/95/44/22/1092954422.db2.gz PTFFNFJWMAPFRT-CYBMUJFWSA-N -1 3 329.429 2.526 20 30 EFEDHM C=CCC(C)(C)COC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588539319 1092954517 /nfs/dbraw/zinc/95/45/17/1092954517.db2.gz GRNOYRJJSALUJY-LBPRGKRZSA-N -1 3 330.388 2.780 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588539311 1092954763 /nfs/dbraw/zinc/95/47/63/1092954763.db2.gz GLNZYDXMFACZAK-GFCCVEGCSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588539311 1092954767 /nfs/dbraw/zinc/95/47/67/1092954767.db2.gz GLNZYDXMFACZAK-GFCCVEGCSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CC1(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588527290 1092954831 /nfs/dbraw/zinc/95/48/31/1092954831.db2.gz FZWNRKWWRINLOR-UHFFFAOYSA-N -1 3 328.372 2.678 20 30 EFEDHM C=CC1(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588527290 1092954838 /nfs/dbraw/zinc/95/48/38/1092954838.db2.gz FZWNRKWWRINLOR-UHFFFAOYSA-N -1 3 328.372 2.678 20 30 EFEDHM C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588539174 1092955498 /nfs/dbraw/zinc/95/54/98/1092955498.db2.gz AVTRCKMFAZQUTJ-ZDUSSCGKSA-N -1 3 327.432 2.764 20 30 EFEDHM C=CCC(C)(C)CNC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588539174 1092955506 /nfs/dbraw/zinc/95/55/06/1092955506.db2.gz AVTRCKMFAZQUTJ-ZDUSSCGKSA-N -1 3 327.432 2.764 20 30 EFEDHM C=CC[C@@H](C=C)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001588539271 1092955946 /nfs/dbraw/zinc/95/59/46/1092955946.db2.gz DQUWMCYKRYZOTQ-HZPDHXFCSA-N -1 3 339.399 2.509 20 30 EFEDHM C=CC[C@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)c1ccncc1 ZINC001588549701 1092956979 /nfs/dbraw/zinc/95/69/79/1092956979.db2.gz URSXRDFKGGUARS-INIZCTEOSA-N -1 3 348.410 2.926 20 30 EFEDHM C=CC[C@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)c1ccncc1 ZINC001588549701 1092956991 /nfs/dbraw/zinc/95/69/91/1092956991.db2.gz URSXRDFKGGUARS-INIZCTEOSA-N -1 3 348.410 2.926 20 30 EFEDHM C=CCC(F)(F)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588545922 1092958254 /nfs/dbraw/zinc/95/82/54/1092958254.db2.gz RNSYIWYBJJGOIR-UHFFFAOYSA-N -1 3 347.369 2.784 20 30 EFEDHM C=CCC(F)(F)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588545922 1092958261 /nfs/dbraw/zinc/95/82/61/1092958261.db2.gz RNSYIWYBJJGOIR-UHFFFAOYSA-N -1 3 347.369 2.784 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588561288 1092959736 /nfs/dbraw/zinc/95/97/36/1092959736.db2.gz ZATWJTXPLAAULO-HNNXBMFYSA-N -1 3 325.416 2.614 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588561288 1092959746 /nfs/dbraw/zinc/95/97/46/1092959746.db2.gz ZATWJTXPLAAULO-HNNXBMFYSA-N -1 3 325.416 2.614 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588559360 1092960366 /nfs/dbraw/zinc/96/03/66/1092960366.db2.gz JQTVSULTASIJKD-ZBFHGGJFSA-N -1 3 339.443 2.860 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588559360 1092960379 /nfs/dbraw/zinc/96/03/79/1092960379.db2.gz JQTVSULTASIJKD-ZBFHGGJFSA-N -1 3 339.443 2.860 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)C1 ZINC001588559318 1092961988 /nfs/dbraw/zinc/96/19/88/1092961988.db2.gz JBYMWVBTTDVVCV-CQSZACIVSA-N -1 3 325.416 2.912 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)C1 ZINC001588559318 1092961997 /nfs/dbraw/zinc/96/19/97/1092961997.db2.gz JBYMWVBTTDVVCV-CQSZACIVSA-N -1 3 325.416 2.912 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588558576 1092962133 /nfs/dbraw/zinc/96/21/33/1092962133.db2.gz AMRGZTNPICVKMJ-SWLSCSKDSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588558576 1092962139 /nfs/dbraw/zinc/96/21/39/1092962139.db2.gz AMRGZTNPICVKMJ-SWLSCSKDSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588560551 1092962262 /nfs/dbraw/zinc/96/22/62/1092962262.db2.gz SJPIMHREUCLAEQ-LLVKDONJSA-N -1 3 331.807 2.948 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588560551 1092962265 /nfs/dbraw/zinc/96/22/65/1092962265.db2.gz SJPIMHREUCLAEQ-LLVKDONJSA-N -1 3 331.807 2.948 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588564026 1092963026 /nfs/dbraw/zinc/96/30/26/1092963026.db2.gz IDDCUMBXBYLOCU-HNNXBMFYSA-N -1 3 341.415 2.593 20 30 EFEDHM C=CC[C@H]1CCN1C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588564026 1092963036 /nfs/dbraw/zinc/96/30/36/1092963036.db2.gz IDDCUMBXBYLOCU-HNNXBMFYSA-N -1 3 341.415 2.593 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588582936 1092964208 /nfs/dbraw/zinc/96/42/08/1092964208.db2.gz RRZQJFIMZIVHKR-ZDUSSCGKSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588582936 1092964214 /nfs/dbraw/zinc/96/42/14/1092964214.db2.gz RRZQJFIMZIVHKR-ZDUSSCGKSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001588578989 1092964946 /nfs/dbraw/zinc/96/49/46/1092964946.db2.gz IDPCXDWDHGOQSK-GFCCVEGCSA-N -1 3 347.369 2.916 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001588578989 1092964953 /nfs/dbraw/zinc/96/49/53/1092964953.db2.gz IDPCXDWDHGOQSK-GFCCVEGCSA-N -1 3 347.369 2.916 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588593520 1092965295 /nfs/dbraw/zinc/96/52/95/1092965295.db2.gz DNISHXSHQTZEQP-NSHDSACASA-N -1 3 334.449 2.814 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588593520 1092965301 /nfs/dbraw/zinc/96/53/01/1092965301.db2.gz DNISHXSHQTZEQP-NSHDSACASA-N -1 3 334.449 2.814 20 30 EFEDHM C=CCCC[C@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588594043 1092966841 /nfs/dbraw/zinc/96/68/41/1092966841.db2.gz KAYSHSZBVVSCAY-XJKSGUPXSA-N -1 3 339.399 2.837 20 30 EFEDHM C=CCCC[C@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588594043 1092966850 /nfs/dbraw/zinc/96/68/50/1092966850.db2.gz KAYSHSZBVVSCAY-XJKSGUPXSA-N -1 3 339.399 2.837 20 30 EFEDHM C=CCCCCSc1nc(C(=O)OCC)ccc1-c1nnn[n-]1 ZINC001588601496 1092966920 /nfs/dbraw/zinc/96/69/20/1092966920.db2.gz OJADCIHCCOHPNC-UHFFFAOYSA-N -1 3 333.417 2.887 20 30 EFEDHM C=CCCCCSc1nc(C(=O)OCC)ccc1-c1nn[n-]n1 ZINC001588601496 1092966925 /nfs/dbraw/zinc/96/69/25/1092966925.db2.gz OJADCIHCCOHPNC-UHFFFAOYSA-N -1 3 333.417 2.887 20 30 EFEDHM C=CCCCNc1c(-c2nnn[n-]2)cnc2c(F)c(F)c(F)cc21 ZINC001588600436 1092967139 /nfs/dbraw/zinc/96/71/39/1092967139.db2.gz BDSGITSZTJWVSH-UHFFFAOYSA-N -1 3 334.305 2.632 20 30 EFEDHM C=CCCCNc1c(-c2nn[n-]n2)cnc2c(F)c(F)c(F)cc21 ZINC001588600436 1092967148 /nfs/dbraw/zinc/96/71/48/1092967148.db2.gz BDSGITSZTJWVSH-UHFFFAOYSA-N -1 3 334.305 2.632 20 30 EFEDHM C=CCCCN(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588601452 1092968148 /nfs/dbraw/zinc/96/81/48/1092968148.db2.gz MEBKPGJCPALNHD-UHFFFAOYSA-N -1 3 332.383 2.504 20 30 EFEDHM C=CCCCN(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588601452 1092968155 /nfs/dbraw/zinc/96/81/55/1092968155.db2.gz MEBKPGJCPALNHD-UHFFFAOYSA-N -1 3 332.383 2.504 20 30 EFEDHM C=CCCCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588601976 1092968345 /nfs/dbraw/zinc/96/83/45/1092968345.db2.gz XLIFUUQDYYCIOA-JKSUJKDBSA-N -1 3 325.416 2.785 20 30 EFEDHM C=CCCCN(CC)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588601976 1092968355 /nfs/dbraw/zinc/96/83/55/1092968355.db2.gz XLIFUUQDYYCIOA-JKSUJKDBSA-N -1 3 325.416 2.785 20 30 EFEDHM C=CCCN(Cc1cncc(-c2nnn[n-]2)c1)OCc1ccccc1 ZINC001588603368 1092968532 /nfs/dbraw/zinc/96/85/32/1092968532.db2.gz MBBFSZOSRNUQKE-UHFFFAOYSA-N -1 3 336.399 2.772 20 30 EFEDHM C=CCCN(Cc1cncc(-c2nn[n-]n2)c1)OCc1ccccc1 ZINC001588603368 1092968543 /nfs/dbraw/zinc/96/85/43/1092968543.db2.gz MBBFSZOSRNUQKE-UHFFFAOYSA-N -1 3 336.399 2.772 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588627626 1092969055 /nfs/dbraw/zinc/96/90/55/1092969055.db2.gz CJSDWAMKISNPCM-CYBMUJFWSA-N -1 3 343.456 2.856 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588627626 1092969062 /nfs/dbraw/zinc/96/90/62/1092969062.db2.gz CJSDWAMKISNPCM-CYBMUJFWSA-N -1 3 343.456 2.856 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588627627 1092969200 /nfs/dbraw/zinc/96/92/00/1092969200.db2.gz CJSDWAMKISNPCM-ZDUSSCGKSA-N -1 3 343.456 2.856 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588627627 1092969214 /nfs/dbraw/zinc/96/92/14/1092969214.db2.gz CJSDWAMKISNPCM-ZDUSSCGKSA-N -1 3 343.456 2.856 20 30 EFEDHM C=CCCSCCNC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001588618017 1092969637 /nfs/dbraw/zinc/96/96/37/1092969637.db2.gz NVXAHQBLCIYMRP-UHFFFAOYSA-N -1 3 332.433 2.606 20 30 EFEDHM C=CCCSCCNC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588618017 1092969643 /nfs/dbraw/zinc/96/96/43/1092969643.db2.gz NVXAHQBLCIYMRP-UHFFFAOYSA-N -1 3 332.433 2.606 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1cccc(F)c1-c1nnn[n-]1 ZINC001588631378 1092972015 /nfs/dbraw/zinc/97/20/15/1092972015.db2.gz BYEKOZVUXPQICM-LLVKDONJSA-N -1 3 347.419 2.687 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C1(C)CC1 ZINC001588640594 1092973420 /nfs/dbraw/zinc/97/34/20/1092973420.db2.gz VLFWIJPXFRNSRL-CYBMUJFWSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C1(C)CC1 ZINC001588640594 1092973428 /nfs/dbraw/zinc/97/34/28/1092973428.db2.gz VLFWIJPXFRNSRL-CYBMUJFWSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)c(C)c2)SC1=S ZINC001588654875 1092974521 /nfs/dbraw/zinc/97/45/21/1092974521.db2.gz QFCUMSPNCNXLDK-XYOKQWHBSA-N -1 3 343.437 2.562 20 30 EFEDHM C=CCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)c(C)c2)SC1=S ZINC001588654875 1092974534 /nfs/dbraw/zinc/97/45/34/1092974534.db2.gz QFCUMSPNCNXLDK-XYOKQWHBSA-N -1 3 343.437 2.562 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1c(F)cncc1F ZINC001588649374 1092975472 /nfs/dbraw/zinc/97/54/72/1092975472.db2.gz ZKONGJHSBUPFES-UHFFFAOYSA-N -1 3 342.353 2.728 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1c(F)cncc1F ZINC001588649374 1092975481 /nfs/dbraw/zinc/97/54/81/1092975481.db2.gz ZKONGJHSBUPFES-UHFFFAOYSA-N -1 3 342.353 2.728 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1C[C@H]1CC ZINC001588641830 1092976226 /nfs/dbraw/zinc/97/62/26/1092976226.db2.gz NEIXKZLYDRVTAB-ZBFHGGJFSA-N -1 3 340.431 2.610 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1C[C@H]1CC ZINC001588641830 1092976236 /nfs/dbraw/zinc/97/62/36/1092976236.db2.gz NEIXKZLYDRVTAB-ZBFHGGJFSA-N -1 3 340.431 2.610 20 30 EFEDHM C=CCN(Cc1ccnn1CCC)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588649201 1092976862 /nfs/dbraw/zinc/97/68/62/1092976862.db2.gz WODNZXWZRAAODN-UHFFFAOYSA-N -1 3 337.431 2.661 20 30 EFEDHM C=CCN(Cc1ccnn1CCC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588649201 1092976865 /nfs/dbraw/zinc/97/68/65/1092976865.db2.gz WODNZXWZRAAODN-UHFFFAOYSA-N -1 3 337.431 2.661 20 30 EFEDHM C=CCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC001588665388 1092977750 /nfs/dbraw/zinc/97/77/50/1092977750.db2.gz KHOSYVGNJORJMH-NSHDSACASA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC001588665388 1092977755 /nfs/dbraw/zinc/97/77/55/1092977755.db2.gz KHOSYVGNJORJMH-NSHDSACASA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC001588689145 1092977784 /nfs/dbraw/zinc/97/77/84/1092977784.db2.gz GWFYIRJBGJSEJM-UHFFFAOYSA-N -1 3 349.394 2.921 20 30 EFEDHM C=CCOc1ccc(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC001588689145 1092977786 /nfs/dbraw/zinc/97/77/86/1092977786.db2.gz GWFYIRJBGJSEJM-UHFFFAOYSA-N -1 3 349.394 2.921 20 30 EFEDHM C=CCNC(=O)c1ccccc1N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588663916 1092978149 /nfs/dbraw/zinc/97/81/49/1092978149.db2.gz QPNNXGNOZPEHFL-CYBMUJFWSA-N -1 3 348.410 2.956 20 30 EFEDHM C=CCNC(=O)c1ccccc1N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588663916 1092978162 /nfs/dbraw/zinc/97/81/62/1092978162.db2.gz QPNNXGNOZPEHFL-CYBMUJFWSA-N -1 3 348.410 2.956 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588726091 1092979614 /nfs/dbraw/zinc/97/96/14/1092979614.db2.gz SHAMTPNWMFSDGO-KOLCDFICSA-N -1 3 347.444 2.755 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588726091 1092979617 /nfs/dbraw/zinc/97/96/17/1092979617.db2.gz SHAMTPNWMFSDGO-KOLCDFICSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCc1cc(OC)ccc1OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588695295 1092980188 /nfs/dbraw/zinc/98/01/88/1092980188.db2.gz TVQVVOGEWHDGNA-UHFFFAOYSA-N -1 3 336.351 2.823 20 30 EFEDHM C=CCc1cc(OC)ccc1OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588695295 1092980198 /nfs/dbraw/zinc/98/01/98/1092980198.db2.gz TVQVVOGEWHDGNA-UHFFFAOYSA-N -1 3 336.351 2.823 20 30 EFEDHM C=CCn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1C1CC1 ZINC001588711611 1092980484 /nfs/dbraw/zinc/98/04/84/1092980484.db2.gz SYLBLURABKXIAQ-UHFFFAOYSA-N -1 3 339.428 2.814 20 30 EFEDHM C=CCn1c(SCc2cccc(-c3nn[n-]n3)c2)nnc1C1CC1 ZINC001588711611 1092980492 /nfs/dbraw/zinc/98/04/92/1092980492.db2.gz SYLBLURABKXIAQ-UHFFFAOYSA-N -1 3 339.428 2.814 20 30 EFEDHM C=CCOc1ccc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588689486 1092981715 /nfs/dbraw/zinc/98/17/15/1092981715.db2.gz LAKGJHMPQMFEQZ-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCOc1ccc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588689486 1092981721 /nfs/dbraw/zinc/98/17/21/1092981721.db2.gz LAKGJHMPQMFEQZ-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM CC#CCCCCOC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588746200 1092983404 /nfs/dbraw/zinc/98/34/04/1092983404.db2.gz NKCAJWIZAPUMNG-UHFFFAOYSA-N -1 3 342.374 2.774 20 30 EFEDHM CC#CCCCCOC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588746200 1092983412 /nfs/dbraw/zinc/98/34/12/1092983412.db2.gz NKCAJWIZAPUMNG-UHFFFAOYSA-N -1 3 342.374 2.774 20 30 EFEDHM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588781046 1092991928 /nfs/dbraw/zinc/99/19/28/1092991928.db2.gz ZLESUMABIRJOKN-UHFFFAOYSA-N -1 3 345.366 2.544 20 30 EFEDHM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588781046 1092991940 /nfs/dbraw/zinc/99/19/40/1092991940.db2.gz ZLESUMABIRJOKN-UHFFFAOYSA-N -1 3 345.366 2.544 20 30 EFEDHM CC(N=Nc1ncncc1Cl)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588781363 1092992617 /nfs/dbraw/zinc/99/26/17/1092992617.db2.gz WZZGLSUGDBJALN-UHFFFAOYSA-N -1 3 349.185 2.800 20 30 EFEDHM CC(N=Nc1ncncc1Cl)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588781363 1092992624 /nfs/dbraw/zinc/99/26/24/1092992624.db2.gz WZZGLSUGDBJALN-UHFFFAOYSA-N -1 3 349.185 2.800 20 30 EFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nccc2ccccc21 ZINC001588777100 1092992727 /nfs/dbraw/zinc/99/27/27/1092992727.db2.gz DRBXKSUTKQJYGM-UHFFFAOYSA-N -1 3 343.394 2.929 20 30 EFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1nccc2ccccc21 ZINC001588777100 1092992734 /nfs/dbraw/zinc/99/27/34/1092992734.db2.gz DRBXKSUTKQJYGM-UHFFFAOYSA-N -1 3 343.394 2.929 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1nc2ccccc2n1C ZINC001588780939 1092993167 /nfs/dbraw/zinc/99/31/67/1092993167.db2.gz UOZNVLXBMBFXII-UHFFFAOYSA-N -1 3 332.371 2.590 20 30 EFEDHM CC(N=Nc1cnc2ccccc2n1)c1ccccc1-c1nnn[n-]1 ZINC001588781394 1092993643 /nfs/dbraw/zinc/99/36/43/1092993643.db2.gz ZQNCAEKOELOTDM-UHFFFAOYSA-N -1 3 330.355 2.646 20 30 EFEDHM CC(N=Nc1cnc2ccccc2n1)c1ccccc1-c1nn[n-]n1 ZINC001588781394 1092993652 /nfs/dbraw/zinc/99/36/52/1092993652.db2.gz ZQNCAEKOELOTDM-UHFFFAOYSA-N -1 3 330.355 2.646 20 30 EFEDHM CC(=O)Nc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cc1 ZINC001588875840 1092996898 /nfs/dbraw/zinc/99/68/98/1092996898.db2.gz BFGASRGBYBZDGM-NVNXTCNLSA-N -1 3 345.362 2.648 20 30 EFEDHM CC(=O)Nc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cc1 ZINC001588875840 1092996906 /nfs/dbraw/zinc/99/69/06/1092996906.db2.gz BFGASRGBYBZDGM-NVNXTCNLSA-N -1 3 345.362 2.648 20 30 EFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588881725 1092998886 /nfs/dbraw/zinc/99/88/86/1092998886.db2.gz FKJPTGQAQXGBLI-JXMROGBWSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588881725 1092998899 /nfs/dbraw/zinc/99/88/99/1092998899.db2.gz FKJPTGQAQXGBLI-JXMROGBWSA-N -1 3 333.351 2.721 20 30 EFEDHM C[C@H](C#N)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001588930717 1093013980 /nfs/dbraw/zinc/01/39/80/1093013980.db2.gz IJTDDDIULDEJKM-CYBMUJFWSA-N -1 3 346.394 2.765 20 30 EFEDHM C[C@H](C#N)CN(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001588930717 1093013987 /nfs/dbraw/zinc/01/39/87/1093013987.db2.gz IJTDDDIULDEJKM-CYBMUJFWSA-N -1 3 346.394 2.765 20 30 EFEDHM CC(C)(C)SCCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001589208824 1093048119 /nfs/dbraw/zinc/04/81/19/1093048119.db2.gz BDRQOOVMFAAUEZ-UHFFFAOYSA-N -1 3 349.489 2.729 20 30 EFEDHM CC(C)(C)SCCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001589208824 1093048127 /nfs/dbraw/zinc/04/81/27/1093048127.db2.gz BDRQOOVMFAAUEZ-UHFFFAOYSA-N -1 3 349.489 2.729 20 30 EFEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2Cc3ccc(C#N)cc3C2)n1 ZINC001589222420 1093050789 /nfs/dbraw/zinc/05/07/89/1093050789.db2.gz YFDNKBABVWILFA-UHFFFAOYSA-N -1 3 345.410 2.951 20 30 EFEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2Cc3ccc(C#N)cc3C2)n1 ZINC001589222420 1093050795 /nfs/dbraw/zinc/05/07/95/1093050795.db2.gz YFDNKBABVWILFA-UHFFFAOYSA-N -1 3 345.410 2.951 20 30 EFEDHM CC(C)(CC#N)CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001589267051 1093059488 /nfs/dbraw/zinc/05/94/88/1093059488.db2.gz GQSLDMAWCANJBL-UHFFFAOYSA-N -1 3 333.783 2.581 20 30 EFEDHM CC(C)(CC#N)CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001589267051 1093059496 /nfs/dbraw/zinc/05/94/96/1093059496.db2.gz GQSLDMAWCANJBL-UHFFFAOYSA-N -1 3 333.783 2.581 20 30 EFEDHM CC(C)C#CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001589394117 1093080460 /nfs/dbraw/zinc/08/04/60/1093080460.db2.gz PLVMOEVWXOUFAW-UHFFFAOYSA-N -1 3 348.366 2.652 20 30 EFEDHM C[C@H](CC#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001589785981 1093146679 /nfs/dbraw/zinc/14/66/79/1093146679.db2.gz BSVPOEAOZHFHHQ-LLVKDONJSA-N -1 3 349.354 2.542 20 30 EFEDHM C[C@H](CC#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001589785981 1093146683 /nfs/dbraw/zinc/14/66/83/1093146683.db2.gz BSVPOEAOZHFHHQ-LLVKDONJSA-N -1 3 349.354 2.542 20 30 EFEDHM C[C@H](CC#N)Nc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001589788204 1093148970 /nfs/dbraw/zinc/14/89/70/1093148970.db2.gz UWXKGSJRGTZEJU-LLVKDONJSA-N -1 3 336.403 2.506 20 30 EFEDHM C[C@H](CC#N)Nc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589788204 1093148973 /nfs/dbraw/zinc/14/89/73/1093148973.db2.gz UWXKGSJRGTZEJU-LLVKDONJSA-N -1 3 336.403 2.506 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC001589891176 1093168608 /nfs/dbraw/zinc/16/86/08/1093168608.db2.gz CDODVDUJZKEFDC-CYBMUJFWSA-N -1 3 346.394 2.750 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC001589891176 1093168616 /nfs/dbraw/zinc/16/86/16/1093168616.db2.gz CDODVDUJZKEFDC-CYBMUJFWSA-N -1 3 346.394 2.750 20 30 EFEDHM C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589920153 1093178404 /nfs/dbraw/zinc/17/84/04/1093178404.db2.gz UUBSAMKXIAOTRV-CXAGYDPISA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589920153 1093178406 /nfs/dbraw/zinc/17/84/06/1093178406.db2.gz UUBSAMKXIAOTRV-CXAGYDPISA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001589918002 1093178541 /nfs/dbraw/zinc/17/85/41/1093178541.db2.gz IIAJRDBVUOAZQL-SUMWQHHRSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001589918002 1093178546 /nfs/dbraw/zinc/17/85/46/1093178546.db2.gz IIAJRDBVUOAZQL-SUMWQHHRSA-N -1 3 346.394 2.741 20 30 EFEDHM C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589935947 1093184981 /nfs/dbraw/zinc/18/49/81/1093184981.db2.gz CNBQMXZPZAUYFQ-LLVKDONJSA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@@H](NC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589935947 1093184988 /nfs/dbraw/zinc/18/49/88/1093184988.db2.gz CNBQMXZPZAUYFQ-LLVKDONJSA-N -1 3 333.355 2.621 20 30 EFEDHM C[C@@H](NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccncc1 ZINC001589975215 1093204453 /nfs/dbraw/zinc/20/44/53/1093204453.db2.gz BCJHKIWBVACVJQ-GFCCVEGCSA-N -1 3 333.399 2.653 20 30 EFEDHM C[C@@H](NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)c1ccncc1 ZINC001589975215 1093204461 /nfs/dbraw/zinc/20/44/61/1093204461.db2.gz BCJHKIWBVACVJQ-GFCCVEGCSA-N -1 3 333.399 2.653 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589984254 1093208078 /nfs/dbraw/zinc/20/80/78/1093208078.db2.gz LNDFJIWDWLCIBK-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589984254 1093208085 /nfs/dbraw/zinc/20/80/85/1093208085.db2.gz LNDFJIWDWLCIBK-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001589984255 1093209806 /nfs/dbraw/zinc/20/98/06/1093209806.db2.gz LNDFJIWDWLCIBK-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001589984255 1093209811 /nfs/dbraw/zinc/20/98/11/1093209811.db2.gz LNDFJIWDWLCIBK-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](O)C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001589996541 1093213401 /nfs/dbraw/zinc/21/34/01/1093213401.db2.gz HTZBEAQPFQUGMV-XJKSGUPXSA-N -1 3 348.410 2.705 20 30 EFEDHM C[C@H](O)C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001589996541 1093213406 /nfs/dbraw/zinc/21/34/06/1093213406.db2.gz HTZBEAQPFQUGMV-XJKSGUPXSA-N -1 3 348.410 2.705 20 30 EFEDHM C[C@@H](OC(=O)c1cscc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001590015974 1093223359 /nfs/dbraw/zinc/22/33/59/1093223359.db2.gz OIYYROCRUJKPOA-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](OC(=O)c1cscc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001590015974 1093223367 /nfs/dbraw/zinc/22/33/67/1093223367.db2.gz OIYYROCRUJKPOA-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCC(C)(C)C#N ZINC001590022841 1093224767 /nfs/dbraw/zinc/22/47/67/1093224767.db2.gz OXXFEQHENJWPKV-LBPRGKRZSA-N -1 3 343.387 2.507 20 30 EFEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccccc1F ZINC001590038015 1093233670 /nfs/dbraw/zinc/23/36/70/1093233670.db2.gz WNSWXUKBLJFCPH-QMMMGPOBSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccccc1F ZINC001590038015 1093233677 /nfs/dbraw/zinc/23/36/77/1093233677.db2.gz WNSWXUKBLJFCPH-QMMMGPOBSA-N -1 3 341.375 2.708 20 30 EFEDHM CC1(C)CCC[C@H]1OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590094786 1093264899 /nfs/dbraw/zinc/26/48/99/1093264899.db2.gz KPUJIIDBEXGRCS-LSDHHAIUSA-N -1 3 339.399 2.671 20 30 EFEDHM CC1(C)CCC[C@H]1OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590094786 1093264906 /nfs/dbraw/zinc/26/49/06/1093264906.db2.gz KPUJIIDBEXGRCS-LSDHHAIUSA-N -1 3 339.399 2.671 20 30 EFEDHM CC1(C)CCc2onc(CNc3c(C#N)cccc3-c3nnn[n-]3)c2C1 ZINC001590099864 1093269712 /nfs/dbraw/zinc/26/97/12/1093269712.db2.gz IKQLKOOZXLXJDT-UHFFFAOYSA-N -1 3 349.398 2.853 20 30 EFEDHM CC1(C)CCc2onc(CNc3c(C#N)cccc3-c3nn[n-]n3)c2C1 ZINC001590099864 1093269714 /nfs/dbraw/zinc/26/97/14/1093269714.db2.gz IKQLKOOZXLXJDT-UHFFFAOYSA-N -1 3 349.398 2.853 20 30 EFEDHM CC1(C)COCC1N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001590110601 1093271802 /nfs/dbraw/zinc/27/18/02/1093271802.db2.gz BGQOSVUXFNURJC-UHFFFAOYSA-N -1 3 340.309 2.710 20 30 EFEDHM CC1(C)COCC1N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001590110601 1093271806 /nfs/dbraw/zinc/27/18/06/1093271806.db2.gz BGQOSVUXFNURJC-UHFFFAOYSA-N -1 3 340.309 2.710 20 30 EFEDHM C[C@]12CCN(c3c(C#N)cccc3-c3nnn[n-]3)C[C@H]1C2(Cl)Cl ZINC001590156648 1093288839 /nfs/dbraw/zinc/28/88/39/1093288839.db2.gz NQHROJMSGWSADU-RISCZKNCSA-N -1 3 349.225 2.758 20 30 EFEDHM C[C@]12CCN(c3c(C#N)cccc3-c3nn[n-]n3)C[C@H]1C2(Cl)Cl ZINC001590156648 1093288845 /nfs/dbraw/zinc/28/88/45/1093288845.db2.gz NQHROJMSGWSADU-RISCZKNCSA-N -1 3 349.225 2.758 20 30 EFEDHM CC1=CCN(c2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)CC1 ZINC001590160796 1093289514 /nfs/dbraw/zinc/28/95/14/1093289514.db2.gz GTYNTRYHKYINGE-UHFFFAOYSA-N -1 3 349.442 2.949 20 30 EFEDHM CC1=CCN(c2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)CC1 ZINC001590160796 1093289519 /nfs/dbraw/zinc/28/95/19/1093289519.db2.gz GTYNTRYHKYINGE-UHFFFAOYSA-N -1 3 349.442 2.949 20 30 EFEDHM C[C@@H]1CCC[C@H](OC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590251729 1093339902 /nfs/dbraw/zinc/33/99/02/1093339902.db2.gz HRWRKEAYJTUREC-KCXAZCMYSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@@H]1CCC[C@H](OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590251729 1093339911 /nfs/dbraw/zinc/33/99/11/1093339911.db2.gz HRWRKEAYJTUREC-KCXAZCMYSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@@H]1CCC[C@@H](OC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590251728 1093341273 /nfs/dbraw/zinc/34/12/73/1093341273.db2.gz HRWRKEAYJTUREC-DAXOMENPSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@@H]1CCC[C@@H](OC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590251728 1093341277 /nfs/dbraw/zinc/34/12/77/1093341277.db2.gz HRWRKEAYJTUREC-DAXOMENPSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@H]1CCN(c2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)C1 ZINC001590277498 1093357654 /nfs/dbraw/zinc/35/76/54/1093357654.db2.gz SCVBOUGCFASIBX-LBPRGKRZSA-N -1 3 337.431 2.639 20 30 EFEDHM C[C@H]1CCN(c2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)C1 ZINC001590277498 1093357664 /nfs/dbraw/zinc/35/76/64/1093357664.db2.gz SCVBOUGCFASIBX-LBPRGKRZSA-N -1 3 337.431 2.639 20 30 EFEDHM C[C@@H]1CCc2nc(C=NNc3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC001590280700 1093360749 /nfs/dbraw/zinc/36/07/49/1093360749.db2.gz DKONHMYSRQLGKX-SNVBAGLBSA-N -1 3 339.428 2.894 20 30 EFEDHM C[C@H]1Cc2ccccc2N1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590330866 1093379537 /nfs/dbraw/zinc/37/95/37/1093379537.db2.gz GDEPFBVQTBJWNS-ZDUSSCGKSA-N -1 3 345.410 2.601 20 30 EFEDHM C[C@H]1Cc2ccccc2N1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590330866 1093379543 /nfs/dbraw/zinc/37/95/43/1093379543.db2.gz GDEPFBVQTBJWNS-ZDUSSCGKSA-N -1 3 345.410 2.601 20 30 EFEDHM CCC(=NN1CCc2ccccc2C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590358883 1093389549 /nfs/dbraw/zinc/38/95/49/1093389549.db2.gz JHQYZBRARGKMTC-UHFFFAOYSA-N -1 3 346.394 2.679 20 30 EFEDHM CCC(=NN1CCc2ccccc2C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358883 1093389560 /nfs/dbraw/zinc/38/95/60/1093389560.db2.gz JHQYZBRARGKMTC-UHFFFAOYSA-N -1 3 346.394 2.679 20 30 EFEDHM CCC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(C#N)cc1 ZINC001590367034 1093392474 /nfs/dbraw/zinc/39/24/74/1093392474.db2.gz YDMMPUPAPHLSBY-UHFFFAOYSA-N -1 3 333.351 2.910 20 30 EFEDHM CCC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(C#N)cc1 ZINC001590367034 1093392481 /nfs/dbraw/zinc/39/24/81/1093392481.db2.gz YDMMPUPAPHLSBY-UHFFFAOYSA-N -1 3 333.351 2.910 20 30 EFEDHM CCC(C#N)(CC)C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590367608 1093393839 /nfs/dbraw/zinc/39/38/39/1093393839.db2.gz VFCLJBKIBUFJBC-LBPRGKRZSA-N -1 3 326.404 2.716 20 30 EFEDHM CCC(C#N)(CC)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590367608 1093393844 /nfs/dbraw/zinc/39/38/44/1093393844.db2.gz VFCLJBKIBUFJBC-LBPRGKRZSA-N -1 3 326.404 2.716 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001590371503 1093393959 /nfs/dbraw/zinc/39/39/59/1093393959.db2.gz BSKJRGXHUJFGEK-CYBMUJFWSA-N -1 3 349.192 2.508 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001590371503 1093393965 /nfs/dbraw/zinc/39/39/65/1093393965.db2.gz BSKJRGXHUJFGEK-CYBMUJFWSA-N -1 3 349.192 2.508 20 30 EFEDHM CC[C@H](C)Cc1noc([C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001590409574 1093407591 /nfs/dbraw/zinc/40/75/91/1093407591.db2.gz LVPRBSRXBCBAMD-FZMZJTMJSA-N -1 3 337.387 2.688 20 30 EFEDHM CC[C@H](C)Cc1noc([C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001590409574 1093407596 /nfs/dbraw/zinc/40/75/96/1093407596.db2.gz LVPRBSRXBCBAMD-FZMZJTMJSA-N -1 3 337.387 2.688 20 30 EFEDHM CCC1(c2ccccc2)CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590499571 1093456956 /nfs/dbraw/zinc/45/69/56/1093456956.db2.gz IMJUUEDAWQCTKH-UHFFFAOYSA-N -1 3 330.395 2.906 20 30 EFEDHM CCC1(c2ccccc2)CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590499571 1093456960 /nfs/dbraw/zinc/45/69/60/1093456960.db2.gz IMJUUEDAWQCTKH-UHFFFAOYSA-N -1 3 330.395 2.906 20 30 EFEDHM CCCC[C@@H](ON=C(C)C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC001590582892 1093500616 /nfs/dbraw/zinc/50/06/16/1093500616.db2.gz YWABECONLXDUQY-OAHLLOKOSA-N -1 3 345.403 2.881 20 30 EFEDHM CCCC[C@@H](ON=C(C)C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC001590582892 1093500623 /nfs/dbraw/zinc/50/06/23/1093500623.db2.gz YWABECONLXDUQY-OAHLLOKOSA-N -1 3 345.403 2.881 20 30 EFEDHM CCCCCCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590592339 1093502281 /nfs/dbraw/zinc/50/22/81/1093502281.db2.gz NWYUNBMVAPIDOO-INIZCTEOSA-N -1 3 340.431 2.636 20 30 EFEDHM CCCCCCCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001590592266 1093503107 /nfs/dbraw/zinc/50/31/07/1093503107.db2.gz KOYRXSJDONNRPS-UHFFFAOYSA-N -1 3 346.435 2.645 20 30 EFEDHM CCCCCCCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001590592266 1093503114 /nfs/dbraw/zinc/50/31/14/1093503114.db2.gz KOYRXSJDONNRPS-UHFFFAOYSA-N -1 3 346.435 2.645 20 30 EFEDHM CCCCCCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001590594956 1093506681 /nfs/dbraw/zinc/50/66/81/1093506681.db2.gz YEPXPOJAGLOSQH-UHFFFAOYSA-N -1 3 338.433 2.854 20 30 EFEDHM CCCCCCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001590594956 1093506687 /nfs/dbraw/zinc/50/66/87/1093506687.db2.gz YEPXPOJAGLOSQH-UHFFFAOYSA-N -1 3 338.433 2.854 20 30 EFEDHM CCCOc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001590646652 1093531340 /nfs/dbraw/zinc/53/13/40/1093531340.db2.gz VZWPKYPSEBFCCC-UHFFFAOYSA-N -1 3 335.371 2.534 20 30 EFEDHM CCCOc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001590646652 1093531343 /nfs/dbraw/zinc/53/13/43/1093531343.db2.gz VZWPKYPSEBFCCC-UHFFFAOYSA-N -1 3 335.371 2.534 20 30 EFEDHM CCOCc1ccccc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590816479 1093578851 /nfs/dbraw/zinc/57/88/51/1093578851.db2.gz KPNQKUZTGLSBSK-UHFFFAOYSA-N -1 3 334.383 2.887 20 30 EFEDHM CCOCc1ccccc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590816479 1093578858 /nfs/dbraw/zinc/57/88/58/1093578858.db2.gz KPNQKUZTGLSBSK-UHFFFAOYSA-N -1 3 334.383 2.887 20 30 EFEDHM CCOc1cc(Nc2c(C#N)cccc2-c2nnn[n-]2)ccc1OC ZINC001590828196 1093586350 /nfs/dbraw/zinc/58/63/50/1093586350.db2.gz JGOOSRHOSOXXAG-UHFFFAOYSA-N -1 3 336.355 2.889 20 30 EFEDHM CCOc1cc(Nc2c(C#N)cccc2-c2nn[n-]n2)ccc1OC ZINC001590828196 1093586356 /nfs/dbraw/zinc/58/63/56/1093586356.db2.gz JGOOSRHOSOXXAG-UHFFFAOYSA-N -1 3 336.355 2.889 20 30 EFEDHM CCOc1ccc(C#N)cc1NCc1csc(-c2nnn[n-]2)c1 ZINC001590834529 1093590323 /nfs/dbraw/zinc/59/03/23/1093590323.db2.gz LIZICZCHJHNAKC-UHFFFAOYSA-N -1 3 326.385 2.811 20 30 EFEDHM CCOc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1F ZINC001590843295 1093594294 /nfs/dbraw/zinc/59/42/94/1093594294.db2.gz XCKTZANVTMXJAF-UHFFFAOYSA-N -1 3 341.346 2.955 20 30 EFEDHM CCOc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)cc1F ZINC001590843295 1093594300 /nfs/dbraw/zinc/59/43/00/1093594300.db2.gz XCKTZANVTMXJAF-UHFFFAOYSA-N -1 3 341.346 2.955 20 30 EFEDHM CCOc1cccc(C=Nc2cc(-c3nnn[n-]3)ccc2OC)c1O ZINC001590842958 1093595243 /nfs/dbraw/zinc/59/52/43/1093595243.db2.gz OTNGZIMKGZDMSN-UHFFFAOYSA-N -1 3 339.355 2.730 20 30 EFEDHM CCOc1cccc(C=Nc2cc(-c3nn[n-]n3)ccc2OC)c1O ZINC001590842958 1093595247 /nfs/dbraw/zinc/59/52/47/1093595247.db2.gz OTNGZIMKGZDMSN-UHFFFAOYSA-N -1 3 339.355 2.730 20 30 EFEDHM CCc1ccc(C#CC(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)cc1 ZINC001590884564 1093615529 /nfs/dbraw/zinc/61/55/29/1093615529.db2.gz IVWNSNFQVVRNCT-UHFFFAOYSA-N -1 3 331.379 2.728 20 30 EFEDHM CCc1ccc(C#CC(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)cc1 ZINC001590884564 1093615531 /nfs/dbraw/zinc/61/55/31/1093615531.db2.gz IVWNSNFQVVRNCT-UHFFFAOYSA-N -1 3 331.379 2.728 20 30 EFEDHM CCc1ccc(C#CC(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)cc1 ZINC001590884484 1093616390 /nfs/dbraw/zinc/61/63/90/1093616390.db2.gz DTQDYYKNKOJJII-UHFFFAOYSA-N -1 3 349.369 2.867 20 30 EFEDHM CCc1ccc(C#CC(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)cc1 ZINC001590884484 1093616396 /nfs/dbraw/zinc/61/63/96/1093616396.db2.gz DTQDYYKNKOJJII-UHFFFAOYSA-N -1 3 349.369 2.867 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(CC#N)c1 ZINC001591135160 1093667573 /nfs/dbraw/zinc/66/75/73/1093667573.db2.gz HTLPJSCFPBFZKH-UHFFFAOYSA-N -1 3 347.382 2.597 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(CC#N)c1 ZINC001591135160 1093667581 /nfs/dbraw/zinc/66/75/81/1093667581.db2.gz HTLPJSCFPBFZKH-UHFFFAOYSA-N -1 3 347.382 2.597 20 30 EFEDHM CN(Cc1cn2ccccc2c1C#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591144791 1093672522 /nfs/dbraw/zinc/67/25/22/1093672522.db2.gz CVHFYELDHHHJBM-UHFFFAOYSA-N -1 3 343.394 2.623 20 30 EFEDHM COC(=O)N(C)c1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001591273256 1093684048 /nfs/dbraw/zinc/68/40/48/1093684048.db2.gz YEAIUONHGVDWDE-UHFFFAOYSA-N -1 3 349.354 2.685 20 30 EFEDHM COC(=O)N(C)c1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001591273256 1093684053 /nfs/dbraw/zinc/68/40/53/1093684053.db2.gz YEAIUONHGVDWDE-UHFFFAOYSA-N -1 3 349.354 2.685 20 30 EFEDHM CO[C@@H]1CCCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC001591352928 1093702311 /nfs/dbraw/zinc/70/23/11/1093702311.db2.gz DCDXZEIVMFRUNO-LLVKDONJSA-N -1 3 335.799 2.662 20 30 EFEDHM CO[C@@H]1CCCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC001591352928 1093702316 /nfs/dbraw/zinc/70/23/16/1093702316.db2.gz DCDXZEIVMFRUNO-LLVKDONJSA-N -1 3 335.799 2.662 20 30 EFEDHM COCCC1(C=NNCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001591400796 1093715611 /nfs/dbraw/zinc/71/56/11/1093715611.db2.gz VFHPJRUHEOKWNK-UHFFFAOYSA-N -1 3 342.447 2.929 20 30 EFEDHM COCCC1(C=NNCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001591400796 1093715614 /nfs/dbraw/zinc/71/56/14/1093715614.db2.gz VFHPJRUHEOKWNK-UHFFFAOYSA-N -1 3 342.447 2.929 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)c1c(C)cc(C#N)cc1C ZINC001591494593 1093742085 /nfs/dbraw/zinc/74/20/85/1093742085.db2.gz LOKVAUUGRMVNCV-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)c1c(C)cc(C#N)cc1C ZINC001591494593 1093742090 /nfs/dbraw/zinc/74/20/90/1093742090.db2.gz LOKVAUUGRMVNCV-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1cc(C=NNc2ccc(-c3nn[nH]n3)cc2)cc(Cl)c1[O-] ZINC001591523637 1093752160 /nfs/dbraw/zinc/75/21/60/1093752160.db2.gz YTSVJSVUKXJRKV-UHFFFAOYSA-N -1 3 344.762 2.680 20 30 EFEDHM COc1cc(OCc2ccc(C#N)cc2Cl)cc(-c2nnn[n-]2)c1 ZINC001591553182 1093766938 /nfs/dbraw/zinc/76/69/38/1093766938.db2.gz YUHQBNLTDBHZOA-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1cc(OCc2ccc(C#N)cc2Cl)cc(-c2nn[n-]n2)c1 ZINC001591553182 1093766948 /nfs/dbraw/zinc/76/69/48/1093766948.db2.gz YUHQBNLTDBHZOA-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1C#N ZINC001591582707 1093780861 /nfs/dbraw/zinc/78/08/61/1093780861.db2.gz KPBQQGDZWDELEJ-SOFGYWHQSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1C#N ZINC001591582707 1093780870 /nfs/dbraw/zinc/78/08/70/1093780870.db2.gz KPBQQGDZWDELEJ-SOFGYWHQSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2C#N)cc1-c1nnn[n-]1 ZINC001591582561 1093781343 /nfs/dbraw/zinc/78/13/43/1093781343.db2.gz CQYQRMJELDLTCK-VURMDHGXSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccccc2C#N)cc1-c1nn[n-]n1 ZINC001591582561 1093781348 /nfs/dbraw/zinc/78/13/48/1093781348.db2.gz CQYQRMJELDLTCK-VURMDHGXSA-N -1 3 331.335 2.643 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c(OC)c1 ZINC001591582884 1093781363 /nfs/dbraw/zinc/78/13/63/1093781363.db2.gz RQKCSMSWTWHENI-RIYZIHGNSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c(OC)c1 ZINC001591582884 1093781368 /nfs/dbraw/zinc/78/13/68/1093781368.db2.gz RQKCSMSWTWHENI-RIYZIHGNSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc2c(c1)OC(=Cc1cccc(F)c1-c1nnn[n-]1)C2=O ZINC001591627787 1093805238 /nfs/dbraw/zinc/80/52/38/1093805238.db2.gz JHHLMIKCMXNHAG-AUWJEWJLSA-N -1 3 338.298 2.631 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001591655983 1093820267 /nfs/dbraw/zinc/82/02/67/1093820267.db2.gz KMYLULJNEXUNCN-WAYWQWQTSA-N -1 3 330.344 2.972 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001591655983 1093820274 /nfs/dbraw/zinc/82/02/74/1093820274.db2.gz KMYLULJNEXUNCN-WAYWQWQTSA-N -1 3 330.344 2.972 20 30 EFEDHM C[C@H](Nc1c(C#N)cccc1-c1nnn[n-]1)c1nc2ccccc2[nH]1 ZINC001591770887 1093853820 /nfs/dbraw/zinc/85/38/20/1093853820.db2.gz NTGMMXHVVQGVRG-JTQLQIEISA-N -1 3 330.355 2.788 20 30 EFEDHM C[C@H](Nc1c(C#N)cccc1-c1nn[n-]n1)c1nc2ccccc2[nH]1 ZINC001591770887 1093853825 /nfs/dbraw/zinc/85/38/25/1093853825.db2.gz NTGMMXHVVQGVRG-JTQLQIEISA-N -1 3 330.355 2.788 20 30 EFEDHM C[C@H](OC(=O)c1cscc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001591771000 1093855099 /nfs/dbraw/zinc/85/50/99/1093855099.db2.gz HGGUEHFHQMGOPY-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](OC(=O)c1cscc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001591771000 1093855104 /nfs/dbraw/zinc/85/51/04/1093855104.db2.gz HGGUEHFHQMGOPY-VIFPVBQESA-N -1 3 325.353 2.718 20 30 EFEDHM Cc1c2ccccc2nc(N2CCC[C@H](CC#N)C2)c1-c1nnn[n-]1 ZINC001591794779 1093861250 /nfs/dbraw/zinc/86/12/50/1093861250.db2.gz DMJZMAPCHSDBBV-CYBMUJFWSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1c2ccccc2nc(N2CCC[C@H](CC#N)C2)c1-c1nn[n-]n1 ZINC001591794779 1093861253 /nfs/dbraw/zinc/86/12/53/1093861253.db2.gz DMJZMAPCHSDBBV-CYBMUJFWSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001591789399 1093861738 /nfs/dbraw/zinc/86/17/38/1093861738.db2.gz SRDWUPIUEVKHEH-UHFFFAOYSA-N -1 3 333.355 2.505 20 30 EFEDHM Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001591789399 1093861747 /nfs/dbraw/zinc/86/17/47/1093861747.db2.gz SRDWUPIUEVKHEH-UHFFFAOYSA-N -1 3 333.355 2.505 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001591799757 1093863589 /nfs/dbraw/zinc/86/35/89/1093863589.db2.gz OBMFSWDTNNSTMK-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001591799757 1093863591 /nfs/dbraw/zinc/86/35/91/1093863591.db2.gz OBMFSWDTNNSTMK-UHFFFAOYSA-N -1 3 344.378 2.640 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)OCC1(C#N)CCCC1 ZINC001591838525 1093877998 /nfs/dbraw/zinc/87/79/98/1093877998.db2.gz CGJXLRSJYWJKGX-UHFFFAOYSA-N -1 3 325.372 2.724 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)OCC1(C#N)CCCC1 ZINC001591838525 1093878003 /nfs/dbraw/zinc/87/80/03/1093878003.db2.gz CGJXLRSJYWJKGX-UHFFFAOYSA-N -1 3 325.372 2.724 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)Nc1ccc(CC#N)cc1 ZINC001591844333 1093880907 /nfs/dbraw/zinc/88/09/07/1093880907.db2.gz HSLQYPYYUBSQGN-UHFFFAOYSA-N -1 3 346.394 2.731 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)Nc1ccc(CC#N)cc1 ZINC001591844333 1093880913 /nfs/dbraw/zinc/88/09/13/1093880913.db2.gz HSLQYPYYUBSQGN-UHFFFAOYSA-N -1 3 346.394 2.731 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)OCCCCC1(C#N)CCC1 ZINC001591882336 1093908300 /nfs/dbraw/zinc/90/83/00/1093908300.db2.gz QOFHSQVDKXJZQG-UHFFFAOYSA-N -1 3 340.387 2.591 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)OCCCCC1(C#N)CCC1 ZINC001591882336 1093908305 /nfs/dbraw/zinc/90/83/05/1093908305.db2.gz QOFHSQVDKXJZQG-UHFFFAOYSA-N -1 3 340.387 2.591 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc(C)c1-c1nnn[n-]1 ZINC001591919463 1093917466 /nfs/dbraw/zinc/91/74/66/1093917466.db2.gz FHXCTQIIVNVFQW-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C)c2cccc(C#N)c2)cc(C)c1-c1nn[n-]n1 ZINC001591919463 1093917472 /nfs/dbraw/zinc/91/74/72/1093917472.db2.gz FHXCTQIIVNVFQW-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)OCCCC(C)(C)C#N)cc(C)c1-c1nnn[n-]1 ZINC001591937801 1093923307 /nfs/dbraw/zinc/92/33/07/1093923307.db2.gz ZWQQTCSJOLCCPJ-UHFFFAOYSA-N -1 3 327.388 2.970 20 30 EFEDHM Cc1cc(C(=O)OCCCC(C)(C)C#N)cc(C)c1-c1nn[n-]n1 ZINC001591937801 1093923312 /nfs/dbraw/zinc/92/33/12/1093923312.db2.gz ZWQQTCSJOLCCPJ-UHFFFAOYSA-N -1 3 327.388 2.970 20 30 EFEDHM Cc1cc(C=CC(=O)c2cc3n(n2)CCCC3)ccc1-c1nnn[n-]1 ZINC001591960058 1093932968 /nfs/dbraw/zinc/93/29/68/1093932968.db2.gz YPFVAQAZJQTJQL-VURMDHGXSA-N -1 3 334.383 2.604 20 30 EFEDHM Cc1cc(C=CC(=O)c2cc3n(n2)CCCC3)ccc1-c1nn[n-]n1 ZINC001591960058 1093932972 /nfs/dbraw/zinc/93/29/72/1093932972.db2.gz YPFVAQAZJQTJQL-VURMDHGXSA-N -1 3 334.383 2.604 20 30 EFEDHM Cc1cc(C=NNCCCOc2ccccc2)ccc1-c1nnn[n-]1 ZINC001591958690 1093933532 /nfs/dbraw/zinc/93/35/32/1093933532.db2.gz KCBCAZIRLQDLBA-UHFFFAOYSA-N -1 3 336.399 2.568 20 30 EFEDHM Cc1cc(C=NNCCCOc2ccccc2)ccc1-c1nn[n-]n1 ZINC001591958690 1093933535 /nfs/dbraw/zinc/93/35/35/1093933535.db2.gz KCBCAZIRLQDLBA-UHFFFAOYSA-N -1 3 336.399 2.568 20 30 EFEDHM Cc1cc(OCCCOc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001592058666 1093970640 /nfs/dbraw/zinc/97/06/40/1093970640.db2.gz AXZCMUWXQZAGJU-UHFFFAOYSA-N -1 3 335.367 2.895 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592113207 1093984241 /nfs/dbraw/zinc/98/42/41/1093984241.db2.gz IVAOHQJJGUBQDY-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592113207 1093984243 /nfs/dbraw/zinc/98/42/43/1093984243.db2.gz IVAOHQJJGUBQDY-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(Br)c(N2CCC[C@@H](C#N)C2)c1-c1nnn[n-]1 ZINC001592112488 1093984605 /nfs/dbraw/zinc/98/46/05/1093984605.db2.gz QKVNBPAAWNEXBR-JTQLQIEISA-N -1 3 347.220 2.678 20 30 EFEDHM Cc1ccc(Br)c(N2CCC[C@@H](C#N)C2)c1-c1nn[n-]n1 ZINC001592112488 1093984609 /nfs/dbraw/zinc/98/46/09/1093984609.db2.gz QKVNBPAAWNEXBR-JTQLQIEISA-N -1 3 347.220 2.678 20 30 EFEDHM Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC001592117982 1093986548 /nfs/dbraw/zinc/98/65/48/1093986548.db2.gz PHQJGYPNZVGYGE-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1ccc(C(=O)N(C)[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC001592117982 1093986552 /nfs/dbraw/zinc/98/65/52/1093986552.db2.gz PHQJGYPNZVGYGE-CYBMUJFWSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001592132238 1093990301 /nfs/dbraw/zinc/99/03/01/1093990301.db2.gz BWGVSLLEHAFWFZ-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C(=O)O[C@@H](C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001592132238 1093990303 /nfs/dbraw/zinc/99/03/03/1093990303.db2.gz BWGVSLLEHAFWFZ-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)cc1C#N ZINC001592133651 1093992416 /nfs/dbraw/zinc/99/24/16/1093992416.db2.gz RCPUMXZSKRGABT-UHFFFAOYSA-N -1 3 333.351 2.712 20 30 EFEDHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)cc1C#N ZINC001592133651 1093992421 /nfs/dbraw/zinc/99/24/21/1093992421.db2.gz RCPUMXZSKRGABT-UHFFFAOYSA-N -1 3 333.351 2.712 20 30 EFEDHM Cc1ccc(CNc2nc3ncccc3cc2C#N)cc1-c1nnn[n-]1 ZINC001592167926 1094012142 /nfs/dbraw/zinc/01/21/42/1094012142.db2.gz WNVLBSCCEGCZSD-UHFFFAOYSA-N -1 3 342.366 2.602 20 30 EFEDHM Cc1ccc(CNc2nc3ncccc3cc2C#N)cc1-c1nn[n-]n1 ZINC001592167926 1094012145 /nfs/dbraw/zinc/01/21/45/1094012145.db2.gz WNVLBSCCEGCZSD-UHFFFAOYSA-N -1 3 342.366 2.602 20 30 EFEDHM Cc1ccc(CSc2nnc(C)c(C)c2-c2nnn[n-]2)cc1C#N ZINC001592168673 1094012885 /nfs/dbraw/zinc/01/28/85/1094012885.db2.gz CXDIFHPYLFOCFI-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1ccc(CSc2nnc(C)c(C)c2-c2nn[n-]n2)cc1C#N ZINC001592168673 1094012890 /nfs/dbraw/zinc/01/28/90/1094012890.db2.gz CXDIFHPYLFOCFI-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1ccc(F)cc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001592173290 1094016120 /nfs/dbraw/zinc/01/61/20/1094016120.db2.gz IQTMLNPSRVSUQV-KPKJPENVSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc(F)cc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001592173290 1094016123 /nfs/dbraw/zinc/01/61/23/1094016123.db2.gz IQTMLNPSRVSUQV-KPKJPENVSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc(OC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001592186323 1094023726 /nfs/dbraw/zinc/02/37/26/1094023726.db2.gz JIQPWDJZSIMWCP-MRXNPFEDSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1ccc(OC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001592186323 1094023731 /nfs/dbraw/zinc/02/37/31/1094023731.db2.gz JIQPWDJZSIMWCP-MRXNPFEDSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(NCC3(C#N)CCCC3)c2c1 ZINC001592208873 1094032344 /nfs/dbraw/zinc/03/23/44/1094032344.db2.gz OCAHBMIUWYJNTK-UHFFFAOYSA-N -1 3 333.399 2.641 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(NCC3(C#N)CCCC3)c2c1 ZINC001592208873 1094032349 /nfs/dbraw/zinc/03/23/49/1094032349.db2.gz OCAHBMIUWYJNTK-UHFFFAOYSA-N -1 3 333.399 2.641 20 30 EFEDHM Cc1ccc2ncc(C=CC(=O)c3ccccc3-c3nnn[n-]3)n2c1 ZINC001592209911 1094033111 /nfs/dbraw/zinc/03/31/11/1094033111.db2.gz JPFIPGOVAQOMGL-BQYQJAHWSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccc2ncc(C=CC(=O)c3ccccc3-c3nn[n-]n3)n2c1 ZINC001592209911 1094033113 /nfs/dbraw/zinc/03/31/13/1094033113.db2.gz JPFIPGOVAQOMGL-BQYQJAHWSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cn(Cc2cc(-c3nnn[n-]3)ccc2Br)cc1C#N ZINC001592287194 1094065918 /nfs/dbraw/zinc/06/59/18/1094065918.db2.gz ALARKKXBYLMRRB-UHFFFAOYSA-N -1 3 343.188 2.659 20 30 EFEDHM Cc1cn(Cc2cc(-c3nn[n-]n3)ccc2Br)cc1C#N ZINC001592287194 1094065925 /nfs/dbraw/zinc/06/59/25/1094065925.db2.gz ALARKKXBYLMRRB-UHFFFAOYSA-N -1 3 343.188 2.659 20 30 EFEDHM Cc1csc([C@@H](C)CNc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001592313940 1094073935 /nfs/dbraw/zinc/07/39/35/1094073935.db2.gz CTRXZELRAMIROX-VIFPVBQESA-N -1 3 325.401 2.719 20 30 EFEDHM Cc1csc([C@@H](C)CNc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001592313940 1094073942 /nfs/dbraw/zinc/07/39/42/1094073942.db2.gz CTRXZELRAMIROX-VIFPVBQESA-N -1 3 325.401 2.719 20 30 EFEDHM Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001592353414 1094085325 /nfs/dbraw/zinc/08/53/25/1094085325.db2.gz KPGUWXJDLYUVCA-UHFFFAOYSA-N -1 3 347.382 2.818 20 30 EFEDHM Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001592353414 1094085331 /nfs/dbraw/zinc/08/53/31/1094085331.db2.gz KPGUWXJDLYUVCA-UHFFFAOYSA-N -1 3 347.382 2.818 20 30 EFEDHM Cc1cc(C#N)ccc1CSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC001592353849 1094086154 /nfs/dbraw/zinc/08/61/54/1094086154.db2.gz YHQDGSNQOLEJIS-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1cc(C#N)ccc1CSc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC001592353849 1094086156 /nfs/dbraw/zinc/08/61/56/1094086156.db2.gz YHQDGSNQOLEJIS-UHFFFAOYSA-N -1 3 337.412 2.746 20 30 EFEDHM Cc1nc(NCc2ccc(C#N)c(F)c2)c(Cl)cc1-c1nnn[n-]1 ZINC001592395283 1094099020 /nfs/dbraw/zinc/09/90/20/1094099020.db2.gz DHZPUMGRGCGALO-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1nc(NCc2ccc(C#N)c(F)c2)c(Cl)cc1-c1nn[n-]n1 ZINC001592395283 1094099025 /nfs/dbraw/zinc/09/90/25/1094099025.db2.gz DHZPUMGRGCGALO-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1nsc(NCc2ccc(C#N)c(Cl)c2)c1-c1nnn[n-]1 ZINC001592493203 1094112407 /nfs/dbraw/zinc/11/24/07/1094112407.db2.gz REWPBJCBHBCLFP-UHFFFAOYSA-N -1 3 331.792 2.769 20 30 EFEDHM Cc1sc(NC(=O)c2sccc2CC#N)c(-c2nnn[n-]2)c1C ZINC001592520097 1094118216 /nfs/dbraw/zinc/11/82/16/1094118216.db2.gz PQGLEAQWPDASIB-UHFFFAOYSA-N -1 3 344.425 2.925 20 30 EFEDHM Cc1sc(NC(=O)c2sccc2CC#N)c(-c2nn[n-]n2)c1C ZINC001592520097 1094118217 /nfs/dbraw/zinc/11/82/17/1094118217.db2.gz PQGLEAQWPDASIB-UHFFFAOYSA-N -1 3 344.425 2.925 20 30 EFEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1C=NNCC1CCCC1 ZINC001592618201 1094139936 /nfs/dbraw/zinc/13/99/36/1094139936.db2.gz OPYOHVPVXWVTEY-UHFFFAOYSA-N -1 3 338.337 2.999 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1C=NNCC1CCCC1 ZINC001592618201 1094139938 /nfs/dbraw/zinc/13/99/38/1094139938.db2.gz OPYOHVPVXWVTEY-UHFFFAOYSA-N -1 3 338.337 2.999 20 30 EFEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1C=NO[C@H]1CCCCO1 ZINC001592617669 1094140609 /nfs/dbraw/zinc/14/06/09/1094140609.db2.gz AKUKEIPYJRGJRX-LBPRGKRZSA-N -1 3 341.293 2.763 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1C=NO[C@H]1CCCCO1 ZINC001592617669 1094140613 /nfs/dbraw/zinc/14/06/13/1094140613.db2.gz AKUKEIPYJRGJRX-LBPRGKRZSA-N -1 3 341.293 2.763 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NN=Cc1nccs1 ZINC001592621527 1094143094 /nfs/dbraw/zinc/14/30/94/1094143094.db2.gz XOZNVELOQRQEEO-UHFFFAOYSA-N -1 3 339.306 2.788 20 30 EFEDHM N#CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCCC1 ZINC001592667464 1094172816 /nfs/dbraw/zinc/17/28/16/1094172816.db2.gz WQVFUEVRKCCHRI-UHFFFAOYSA-N -1 3 330.779 2.933 20 30 EFEDHM N#CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCCC1 ZINC001592667464 1094172821 /nfs/dbraw/zinc/17/28/21/1094172821.db2.gz WQVFUEVRKCCHRI-UHFFFAOYSA-N -1 3 330.779 2.933 20 30 EFEDHM N#C[C@@]1(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CC12CCCC2 ZINC001592667061 1094173096 /nfs/dbraw/zinc/17/30/96/1094173096.db2.gz OHZHUMFYHVNQHN-QGZVFWFLSA-N -1 3 341.346 2.523 20 30 EFEDHM N#C[C@@]1(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CC12CCCC2 ZINC001592667061 1094173101 /nfs/dbraw/zinc/17/31/01/1094173101.db2.gz OHZHUMFYHVNQHN-QGZVFWFLSA-N -1 3 341.346 2.523 20 30 EFEDHM N#C[C@]1(F)CCN(c2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)C1 ZINC001592670546 1094174049 /nfs/dbraw/zinc/17/40/49/1094174049.db2.gz FNNKVQXUDYMBLQ-OAHLLOKOSA-N -1 3 343.753 2.510 20 30 EFEDHM N#C[C@]1(F)CCN(c2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)C1 ZINC001592670546 1094174056 /nfs/dbraw/zinc/17/40/56/1094174056.db2.gz FNNKVQXUDYMBLQ-OAHLLOKOSA-N -1 3 343.753 2.510 20 30 EFEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001592672032 1094174122 /nfs/dbraw/zinc/17/41/22/1094174122.db2.gz BCFWJYPPQUDSHG-KOLCDFICSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001592672032 1094174128 /nfs/dbraw/zinc/17/41/28/1094174128.db2.gz BCFWJYPPQUDSHG-KOLCDFICSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@]1(F)CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC001592670933 1094174184 /nfs/dbraw/zinc/17/41/84/1094174184.db2.gz VPVSSQNPJLAGKF-OAHLLOKOSA-N -1 3 343.753 2.510 20 30 EFEDHM N#C[C@]1(F)CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC001592670933 1094174190 /nfs/dbraw/zinc/17/41/90/1094174190.db2.gz VPVSSQNPJLAGKF-OAHLLOKOSA-N -1 3 343.753 2.510 20 30 EFEDHM N#C[C@@]1(F)CCN(c2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)C1 ZINC001592670545 1094174233 /nfs/dbraw/zinc/17/42/33/1094174233.db2.gz FNNKVQXUDYMBLQ-HNNXBMFYSA-N -1 3 343.753 2.510 20 30 EFEDHM N#C[C@@]1(F)CCN(c2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)C1 ZINC001592670545 1094174239 /nfs/dbraw/zinc/17/42/39/1094174239.db2.gz FNNKVQXUDYMBLQ-HNNXBMFYSA-N -1 3 343.753 2.510 20 30 EFEDHM N#C[C@H]1CCC[C@H](OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592672292 1094174324 /nfs/dbraw/zinc/17/43/24/1094174324.db2.gz GSJKPWJVLKFUAE-AAEUAGOBSA-N -1 3 343.412 2.584 20 30 EFEDHM N#C[C@H]1CCC[C@H](OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592672292 1094174329 /nfs/dbraw/zinc/17/43/29/1094174329.db2.gz GSJKPWJVLKFUAE-AAEUAGOBSA-N -1 3 343.412 2.584 20 30 EFEDHM N#CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC001592673847 1094174398 /nfs/dbraw/zinc/17/43/98/1094174398.db2.gz QGURTDKNKKJRJI-JTQLQIEISA-N -1 3 347.220 2.759 20 30 EFEDHM N#CCC[C@H](NC(=O)c1cscc1-c1nnn[n-]1)c1ccccc1 ZINC001592675402 1094174521 /nfs/dbraw/zinc/17/45/21/1094174521.db2.gz SVVARHXEBHNOEE-AWEZNQCLSA-N -1 3 338.396 2.703 20 30 EFEDHM N#CCC[C@H](NC(=O)c1cscc1-c1nn[n-]n1)c1ccccc1 ZINC001592675402 1094174526 /nfs/dbraw/zinc/17/45/26/1094174526.db2.gz SVVARHXEBHNOEE-AWEZNQCLSA-N -1 3 338.396 2.703 20 30 EFEDHM N#CCCCCCC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001592675090 1094174715 /nfs/dbraw/zinc/17/47/15/1094174715.db2.gz QPSPDPDGKREDJT-UHFFFAOYSA-N -1 3 338.371 2.637 20 30 EFEDHM N#CCCCCCC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001592675090 1094174717 /nfs/dbraw/zinc/17/47/17/1094174717.db2.gz QPSPDPDGKREDJT-UHFFFAOYSA-N -1 3 338.371 2.637 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC001592681245 1094176218 /nfs/dbraw/zinc/17/62/18/1094176218.db2.gz NHTSUIFXOMYCFT-WCBMZHEXSA-N -1 3 341.325 2.797 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC001592681245 1094176219 /nfs/dbraw/zinc/17/62/19/1094176219.db2.gz NHTSUIFXOMYCFT-WCBMZHEXSA-N -1 3 341.325 2.797 20 30 EFEDHM N#CCc1cccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC001592679949 1094176524 /nfs/dbraw/zinc/17/65/24/1094176524.db2.gz HKPLCQCNHXEMRR-UHFFFAOYSA-N -1 3 343.394 2.621 20 30 EFEDHM N#CCc1cccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001592679949 1094176526 /nfs/dbraw/zinc/17/65/26/1094176526.db2.gz HKPLCQCNHXEMRR-UHFFFAOYSA-N -1 3 343.394 2.621 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592678788 1094176625 /nfs/dbraw/zinc/17/66/25/1094176625.db2.gz QMOXDJDNELMNRQ-KMKOMSMNSA-N -1 3 331.335 2.665 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592678788 1094176630 /nfs/dbraw/zinc/17/66/30/1094176630.db2.gz QMOXDJDNELMNRQ-KMKOMSMNSA-N -1 3 331.335 2.665 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cs1 ZINC001592688023 1094177335 /nfs/dbraw/zinc/17/73/35/1094177335.db2.gz SZUFBHXCEMHRHP-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cs1 ZINC001592688023 1094177337 /nfs/dbraw/zinc/17/73/37/1094177337.db2.gz SZUFBHXCEMHRHP-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(Cl)cc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592688205 1094177394 /nfs/dbraw/zinc/17/73/94/1094177394.db2.gz HZPXFBZDUKYXQR-HNNXBMFYSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1cc(Cl)cc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592688205 1094177396 /nfs/dbraw/zinc/17/73/96/1094177396.db2.gz HZPXFBZDUKYXQR-HNNXBMFYSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1cc(F)cc(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c1 ZINC001592689512 1094177515 /nfs/dbraw/zinc/17/75/15/1094177515.db2.gz IEVURSVILYBSSY-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)ccc1F ZINC001592687700 1094177924 /nfs/dbraw/zinc/17/79/24/1094177924.db2.gz ACFHETGUXLIKRZ-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)ccc1F ZINC001592687700 1094177926 /nfs/dbraw/zinc/17/79/26/1094177926.db2.gz ACFHETGUXLIKRZ-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC001592695294 1094178831 /nfs/dbraw/zinc/17/88/31/1094178831.db2.gz POPWFRWRJIZSDV-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1Cl ZINC001592695294 1094178836 /nfs/dbraw/zinc/17/88/36/1094178836.db2.gz POPWFRWRJIZSDV-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)cc1 ZINC001592691871 1094178953 /nfs/dbraw/zinc/17/89/53/1094178953.db2.gz GLEUNNALKYDDDC-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)cc1 ZINC001592691871 1094178955 /nfs/dbraw/zinc/17/89/55/1094178955.db2.gz GLEUNNALKYDDDC-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001592696172 1094180119 /nfs/dbraw/zinc/18/01/19/1094180119.db2.gz MNACKUGWJMHTBF-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001592696172 1094180121 /nfs/dbraw/zinc/18/01/21/1094180121.db2.gz MNACKUGWJMHTBF-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)cc1C#N ZINC001592695466 1094180460 /nfs/dbraw/zinc/18/04/60/1094180460.db2.gz WCTDJXMHXJNAAK-UHFFFAOYSA-N -1 3 349.741 2.516 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)cc1C#N ZINC001592695466 1094180463 /nfs/dbraw/zinc/18/04/63/1094180463.db2.gz WCTDJXMHXJNAAK-UHFFFAOYSA-N -1 3 349.741 2.516 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001592697862 1094180485 /nfs/dbraw/zinc/18/04/85/1094180485.db2.gz VZZWRRULCZUYJL-AWEZNQCLSA-N -1 3 337.774 2.886 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001592697862 1094180489 /nfs/dbraw/zinc/18/04/89/1094180489.db2.gz VZZWRRULCZUYJL-AWEZNQCLSA-N -1 3 337.774 2.886 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(F)(c2ccccn2)CC1 ZINC001592698231 1094180674 /nfs/dbraw/zinc/18/06/74/1094180674.db2.gz PWZDZAAKFZNWDF-UHFFFAOYSA-N -1 3 349.373 2.599 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(F)(c2ccccn2)CC1 ZINC001592698231 1094180675 /nfs/dbraw/zinc/18/06/75/1094180675.db2.gz PWZDZAAKFZNWDF-UHFFFAOYSA-N -1 3 349.373 2.599 20 30 EFEDHM N#Cc1ccc(Oc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c(F)c1 ZINC001592696463 1094180692 /nfs/dbraw/zinc/18/06/92/1094180692.db2.gz JVPHPLSTQBBHCD-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1ccc(Oc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c(F)c1 ZINC001592696463 1094180694 /nfs/dbraw/zinc/18/06/94/1094180694.db2.gz JVPHPLSTQBBHCD-UHFFFAOYSA-N -1 3 326.247 2.578 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1-c1nnn[n-]1 ZINC001592696151 1094180707 /nfs/dbraw/zinc/18/07/07/1094180707.db2.gz KZMCKORAFQPPJU-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3cnccc3c2)cc1-c1nn[n-]n1 ZINC001592696151 1094180708 /nfs/dbraw/zinc/18/07/08/1094180708.db2.gz KZMCKORAFQPPJU-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC[C@@H]1OCCc2ccccc21 ZINC001592699966 1094181534 /nfs/dbraw/zinc/18/15/34/1094181534.db2.gz UXHMXLWIBWZFMA-KRWDZBQOSA-N -1 3 346.394 2.854 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC[C@@H]1OCCc2ccccc21 ZINC001592699966 1094181536 /nfs/dbraw/zinc/18/15/36/1094181536.db2.gz UXHMXLWIBWZFMA-KRWDZBQOSA-N -1 3 346.394 2.854 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc(N2CCCC2=O)cc1 ZINC001592700000 1094181607 /nfs/dbraw/zinc/18/16/07/1094181607.db2.gz WMZXUKLXUBQDOW-UHFFFAOYSA-N -1 3 345.366 2.609 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc(N2CCCC2=O)cc1 ZINC001592700000 1094181610 /nfs/dbraw/zinc/18/16/10/1094181610.db2.gz WMZXUKLXUBQDOW-UHFFFAOYSA-N -1 3 345.366 2.609 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H](O)c1ccc(Cl)cc1 ZINC001592700061 1094181626 /nfs/dbraw/zinc/18/16/26/1094181626.db2.gz ZFNIKUTVBXTZNI-CQSZACIVSA-N -1 3 340.774 2.537 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H](O)c1ccc(Cl)cc1 ZINC001592700061 1094181628 /nfs/dbraw/zinc/18/16/28/1094181628.db2.gz ZFNIKUTVBXTZNI-CQSZACIVSA-N -1 3 340.774 2.537 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1c(F)cc(F)c(F)c1F ZINC001592699495 1094181764 /nfs/dbraw/zinc/18/17/64/1094181764.db2.gz BYKNXJPEMQLWMT-UHFFFAOYSA-N -1 3 348.263 2.907 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1c(F)cc(F)c(F)c1F ZINC001592699495 1094181768 /nfs/dbraw/zinc/18/17/68/1094181768.db2.gz BYKNXJPEMQLWMT-UHFFFAOYSA-N -1 3 348.263 2.907 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccccc1OC(F)F ZINC001592699496 1094181869 /nfs/dbraw/zinc/18/18/69/1094181869.db2.gz BYVNGFBOVAVJBT-UHFFFAOYSA-N -1 3 342.309 2.952 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccccc1OC(F)F ZINC001592699496 1094181876 /nfs/dbraw/zinc/18/18/76/1094181876.db2.gz BYVNGFBOVAVJBT-UHFFFAOYSA-N -1 3 342.309 2.952 20 30 EFEDHM N#Cc1cccc(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001592700773 1094182018 /nfs/dbraw/zinc/18/20/18/1094182018.db2.gz UWUYHWRMTNPIMX-QGZVFWFLSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1cccc(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001592700773 1094182021 /nfs/dbraw/zinc/18/20/21/1094182021.db2.gz UWUYHWRMTNPIMX-QGZVFWFLSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H](O)c1ccccc1Cl ZINC001592699349 1094182027 /nfs/dbraw/zinc/18/20/27/1094182027.db2.gz WPONMAJNRDFUSU-CQSZACIVSA-N -1 3 340.774 2.537 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H](O)c1ccccc1Cl ZINC001592699349 1094182031 /nfs/dbraw/zinc/18/20/31/1094182031.db2.gz WPONMAJNRDFUSU-CQSZACIVSA-N -1 3 340.774 2.537 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCn1cnc2ccccc21 ZINC001592699996 1094182076 /nfs/dbraw/zinc/18/20/76/1094182076.db2.gz WGJLIBAMLFAILO-UHFFFAOYSA-N -1 3 344.382 2.590 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCn1cnc2ccccc21 ZINC001592699996 1094182078 /nfs/dbraw/zinc/18/20/78/1094182078.db2.gz WGJLIBAMLFAILO-UHFFFAOYSA-N -1 3 344.382 2.590 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cccc(-n2cccn2)c1 ZINC001592700808 1094182090 /nfs/dbraw/zinc/18/20/90/1094182090.db2.gz XAFMXVVMPMLOMU-UHFFFAOYSA-N -1 3 329.323 2.716 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cccc(-n2cccn2)c1 ZINC001592700808 1094182092 /nfs/dbraw/zinc/18/20/92/1094182092.db2.gz XAFMXVVMPMLOMU-UHFFFAOYSA-N -1 3 329.323 2.716 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001592706562 1094182725 /nfs/dbraw/zinc/18/27/25/1094182725.db2.gz XNHFODTZCZWLMB-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001592706562 1094182729 /nfs/dbraw/zinc/18/27/29/1094182729.db2.gz XNHFODTZCZWLMB-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ncn(Cc2ccc(-c3ccsc3)cc2)c1-c1nnn[n-]1 ZINC001592710486 1094183025 /nfs/dbraw/zinc/18/30/25/1094183025.db2.gz ZZDDXEAVEAACOH-UHFFFAOYSA-N -1 3 333.380 2.712 20 30 EFEDHM N#Cc1ccccc1CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001592703441 1094183310 /nfs/dbraw/zinc/18/33/10/1094183310.db2.gz WMWKWKBXUOMVBI-UHFFFAOYSA-N -1 3 330.395 2.903 20 30 EFEDHM N#Cc1cnc(NCc2ccc(-c3nnn[n-]3)cc2)c2sccc21 ZINC001592704768 1094183390 /nfs/dbraw/zinc/18/33/90/1094183390.db2.gz VHGARXWYFQQYKP-UHFFFAOYSA-N -1 3 333.380 2.960 20 30 EFEDHM N#Cc1cnc(NCc2ccc(-c3nn[n-]n3)cc2)c2sccc21 ZINC001592704768 1094183391 /nfs/dbraw/zinc/18/33/91/1094183391.db2.gz VHGARXWYFQQYKP-UHFFFAOYSA-N -1 3 333.380 2.960 20 30 EFEDHM O=C(C=Cc1ccnn1CC1CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001592802158 1094190353 /nfs/dbraw/zinc/19/03/53/1094190353.db2.gz OUNAMFXYNNGBFK-FPLPWBNLSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1ccnn1CC1CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001592802158 1094190356 /nfs/dbraw/zinc/19/03/56/1094190356.db2.gz OUNAMFXYNNGBFK-FPLPWBNLSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1nccn1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001592803310 1094192517 /nfs/dbraw/zinc/19/25/17/1094192517.db2.gz LAMJRRUBWMHKBP-MDZDMXLPSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1nccn1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC001592803310 1094192519 /nfs/dbraw/zinc/19/25/19/1094192519.db2.gz LAMJRRUBWMHKBP-MDZDMXLPSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1csc([N+](=O)[O-])c1 ZINC001593380461 1094302511 /nfs/dbraw/zinc/30/25/11/1094302511.db2.gz QKNCYYPNNTUAJE-QDEBKDIKSA-N -1 3 339.336 2.659 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1csc([N+](=O)[O-])c1 ZINC001593380461 1094302514 /nfs/dbraw/zinc/30/25/14/1094302514.db2.gz QKNCYYPNNTUAJE-QDEBKDIKSA-N -1 3 339.336 2.659 20 30 EFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2cc(F)ccc21 ZINC001593376571 1094304563 /nfs/dbraw/zinc/30/45/63/1094304563.db2.gz VWMSLMQNBBOCGS-BAQGIRSFSA-N -1 3 328.328 2.726 20 30 EFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2cc(F)ccc21 ZINC001593376571 1094304570 /nfs/dbraw/zinc/30/45/70/1094304570.db2.gz VWMSLMQNBBOCGS-BAQGIRSFSA-N -1 3 328.328 2.726 20 30 EFEDHM Cc1cc(C#N)ccc1CN1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001600075458 1094755154 /nfs/dbraw/zinc/75/51/54/1094755154.db2.gz ZERJURYARGEIOT-KGLIPLIRSA-N -1 3 326.318 2.952 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)C(=O)Cc3ccccc3C(=O)[O-])nc21 ZINC001600555303 1095160245 /nfs/dbraw/zinc/16/02/45/1095160245.db2.gz PPMSPHSVTBMNHT-CQSZACIVSA-N -1 3 333.347 2.989 20 30 EFEDHM Cn1c(Cl)cnc1C(C#N)C(=O)CCc1ccccc1C(=O)[O-] ZINC001600917840 1095428936 /nfs/dbraw/zinc/42/89/36/1095428936.db2.gz KGFINCUXKXGWFS-LBPRGKRZSA-N -1 3 331.759 2.581 20 30 EFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(C(=O)[O-])co1 ZINC001601046767 1095478202 /nfs/dbraw/zinc/47/82/02/1095478202.db2.gz BQOWFIBXNAUNMN-LLVKDONJSA-N -1 3 332.699 2.592 20 30 EFEDHM N#CC1(C(=O)[O-])CCN(C[C@@H]2CCC[C@@H](c3ccccc3)O2)CC1 ZINC001601053303 1095483427 /nfs/dbraw/zinc/48/34/27/1095483427.db2.gz UEVDRCQXUDMRAI-IRXDYDNUSA-N -1 3 328.412 2.987 20 30 EFEDHM N#Cc1cccc([C@H](C(=O)[O-])N2Cc3cccnc3N3CCC[C@H]3C2)c1 ZINC001601117917 1095523471 /nfs/dbraw/zinc/52/34/71/1095523471.db2.gz GKCKRBFHJXRESA-ZWKOTPCHSA-N -1 3 348.406 2.564 20 30 EFEDHM C#C[C@H](C)NCc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001602670915 1096345387 /nfs/dbraw/zinc/34/53/87/1096345387.db2.gz LNHOSHVJPNTMAV-LBPRGKRZSA-N -1 3 329.352 2.677 20 30 EFEDHM C#CC1(O)CCN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001602676861 1096346056 /nfs/dbraw/zinc/34/60/56/1096346056.db2.gz KWPRLLMFNLRITP-UHFFFAOYSA-N -1 3 325.364 2.605 20 30 EFEDHM C#C[C@H](NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001602689775 1096350749 /nfs/dbraw/zinc/35/07/49/1096350749.db2.gz VNCIYDSONPMGCQ-SFHVURJKSA-N -1 3 345.406 2.517 20 30 EFEDHM C#C[C@H](NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001602689775 1096350754 /nfs/dbraw/zinc/35/07/54/1096350754.db2.gz VNCIYDSONPMGCQ-SFHVURJKSA-N -1 3 345.406 2.517 20 30 EFEDHM C#C[C@H](Cc1ccccc1)OC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602688787 1096350912 /nfs/dbraw/zinc/35/09/12/1096350912.db2.gz LZWIRBVGMFQSIK-MRXNPFEDSA-N -1 3 332.363 2.576 20 30 EFEDHM C#C[C@H](Cc1ccccc1)OC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602688787 1096350917 /nfs/dbraw/zinc/35/09/17/1096350917.db2.gz LZWIRBVGMFQSIK-MRXNPFEDSA-N -1 3 332.363 2.576 20 30 EFEDHM C#CCC1(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001602700318 1096352749 /nfs/dbraw/zinc/35/27/49/1096352749.db2.gz VKXAXOFZTUDRMP-UHFFFAOYSA-N -1 3 339.399 2.788 20 30 EFEDHM C#CCC1(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001602700318 1096352756 /nfs/dbraw/zinc/35/27/56/1096352756.db2.gz VKXAXOFZTUDRMP-UHFFFAOYSA-N -1 3 339.399 2.788 20 30 EFEDHM C#CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC001602697852 1096353418 /nfs/dbraw/zinc/35/34/18/1096353418.db2.gz UEVGDWXTIGCOJT-QGZVFWFLSA-N -1 3 331.379 2.670 20 30 EFEDHM C#CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC001602697852 1096353426 /nfs/dbraw/zinc/35/34/26/1096353426.db2.gz UEVGDWXTIGCOJT-QGZVFWFLSA-N -1 3 331.379 2.670 20 30 EFEDHM C#CC[C@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602697494 1096353938 /nfs/dbraw/zinc/35/39/38/1096353938.db2.gz NREGIRDOPZQLJX-INIZCTEOSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CC[C@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602697494 1096353946 /nfs/dbraw/zinc/35/39/46/1096353946.db2.gz NREGIRDOPZQLJX-INIZCTEOSA-N -1 3 335.342 2.500 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC001602696894 1096354228 /nfs/dbraw/zinc/35/42/28/1096354228.db2.gz HCFDQTXURXTNDC-OAHLLOKOSA-N -1 3 343.394 2.561 20 30 EFEDHM C#CC[C@H](Cc1ccccc1)Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC001602696894 1096354237 /nfs/dbraw/zinc/35/42/37/1096354237.db2.gz HCFDQTXURXTNDC-OAHLLOKOSA-N -1 3 343.394 2.561 20 30 EFEDHM C#CC[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)C1 ZINC001602702424 1096354846 /nfs/dbraw/zinc/35/48/46/1096354846.db2.gz GTZXDDARDXUXQV-NSHDSACASA-N -1 3 338.802 2.918 20 30 EFEDHM C#CC[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)C1 ZINC001602702424 1096354853 /nfs/dbraw/zinc/35/48/53/1096354853.db2.gz GTZXDDARDXUXQV-NSHDSACASA-N -1 3 338.802 2.918 20 30 EFEDHM C#CCN(CC)C(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001602720278 1096356761 /nfs/dbraw/zinc/35/67/61/1096356761.db2.gz RXLBDUAKQWMQLN-UHFFFAOYSA-N -1 3 332.433 2.713 20 30 EFEDHM C#CCN(CC)C(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001602720278 1096356765 /nfs/dbraw/zinc/35/67/65/1096356765.db2.gz RXLBDUAKQWMQLN-UHFFFAOYSA-N -1 3 332.433 2.713 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602718253 1096357326 /nfs/dbraw/zinc/35/73/26/1096357326.db2.gz PUCBZQFXDJBOQL-SEYXRHQNSA-N -1 3 343.390 2.542 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602718253 1096357333 /nfs/dbraw/zinc/35/73/33/1096357333.db2.gz PUCBZQFXDJBOQL-SEYXRHQNSA-N -1 3 343.390 2.542 20 30 EFEDHM C#C[C@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001602735478 1096358196 /nfs/dbraw/zinc/35/81/96/1096358196.db2.gz HKZSOPMSYYUMFC-HAQNSBGRSA-N -1 3 326.360 2.687 20 30 EFEDHM C#C[C@H]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001602735478 1096358204 /nfs/dbraw/zinc/35/82/04/1096358204.db2.gz HKZSOPMSYYUMFC-HAQNSBGRSA-N -1 3 326.360 2.687 20 30 EFEDHM C#CCOc1ccccc1NC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001602732754 1096358557 /nfs/dbraw/zinc/35/85/57/1096358557.db2.gz HUZQLRSCJCJPIO-UHFFFAOYSA-N -1 3 340.368 2.584 20 30 EFEDHM C#CCOc1ccccc1NC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001602732754 1096358562 /nfs/dbraw/zinc/35/85/62/1096358562.db2.gz HUZQLRSCJCJPIO-UHFFFAOYSA-N -1 3 340.368 2.584 20 30 EFEDHM C#Cc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001602741730 1096359357 /nfs/dbraw/zinc/35/93/57/1096359357.db2.gz XMMFCGUBQJZDSK-UHFFFAOYSA-N -1 3 349.419 2.720 20 30 EFEDHM C#Cc1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602741730 1096359364 /nfs/dbraw/zinc/35/93/64/1096359364.db2.gz XMMFCGUBQJZDSK-UHFFFAOYSA-N -1 3 349.419 2.720 20 30 EFEDHM C#Cc1cccc(NC(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)c1 ZINC001602741693 1096359479 /nfs/dbraw/zinc/35/94/79/1096359479.db2.gz VPHKIBSFZKPKEL-UHFFFAOYSA-N -1 3 347.353 2.657 20 30 EFEDHM C#Cc1cccc(NC(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)c1 ZINC001602741693 1096359485 /nfs/dbraw/zinc/35/94/85/1096359485.db2.gz VPHKIBSFZKPKEL-UHFFFAOYSA-N -1 3 347.353 2.657 20 30 EFEDHM C#Cc1ccc(NC(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001602741229 1096360262 /nfs/dbraw/zinc/36/02/62/1096360262.db2.gz AJLXWRUWUPCZJB-CYBMUJFWSA-N -1 3 331.379 2.665 20 30 EFEDHM C#Cc1ccc(NC(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602741229 1096360269 /nfs/dbraw/zinc/36/02/69/1096360269.db2.gz AJLXWRUWUPCZJB-CYBMUJFWSA-N -1 3 331.379 2.665 20 30 EFEDHM C#Cc1cccc(CNC(=O)Nc2scc(C)c2-c2nnn[n-]2)c1 ZINC001602741695 1096360395 /nfs/dbraw/zinc/36/03/95/1096360395.db2.gz VUWBYIBRIQWZQM-UHFFFAOYSA-N -1 3 338.396 2.540 20 30 EFEDHM C#Cc1cccc(CNC(=O)Nc2scc(C)c2-c2nn[n-]n2)c1 ZINC001602741695 1096360405 /nfs/dbraw/zinc/36/04/05/1096360405.db2.gz VUWBYIBRIQWZQM-UHFFFAOYSA-N -1 3 338.396 2.540 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC001602753379 1096362967 /nfs/dbraw/zinc/36/29/67/1096362967.db2.gz OXEINQOWKAMFSD-LLVKDONJSA-N -1 3 339.403 2.777 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC001602753379 1096362972 /nfs/dbraw/zinc/36/29/72/1096362972.db2.gz OXEINQOWKAMFSD-LLVKDONJSA-N -1 3 339.403 2.777 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001602752069 1096363115 /nfs/dbraw/zinc/36/31/15/1096363115.db2.gz XWIFJYHZRKZOET-NSHDSACASA-N -1 3 346.410 2.525 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001602752069 1096363119 /nfs/dbraw/zinc/36/31/19/1096363119.db2.gz XWIFJYHZRKZOET-NSHDSACASA-N -1 3 346.410 2.525 20 30 EFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)SC1=S ZINC001602762832 1096365772 /nfs/dbraw/zinc/36/57/72/1096365772.db2.gz KHLCGAGXYKEBNB-KPKJPENVSA-N -1 3 343.437 2.644 20 30 EFEDHM C=C(C)CN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)SC1=S ZINC001602762832 1096365779 /nfs/dbraw/zinc/36/57/79/1096365779.db2.gz KHLCGAGXYKEBNB-KPKJPENVSA-N -1 3 343.437 2.644 20 30 EFEDHM C=C(C)CNC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001602762948 1096366236 /nfs/dbraw/zinc/36/62/36/1096366236.db2.gz PMZKGRDRBSVUDZ-UHFFFAOYSA-N -1 3 344.488 2.775 20 30 EFEDHM C=C(C)CNC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001602762948 1096366243 /nfs/dbraw/zinc/36/62/43/1096366243.db2.gz PMZKGRDRBSVUDZ-UHFFFAOYSA-N -1 3 344.488 2.775 20 30 EFEDHM C=C(CC)CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001602767719 1096367194 /nfs/dbraw/zinc/36/71/94/1096367194.db2.gz LUEIZBAKKHFUOZ-UHFFFAOYSA-N -1 3 326.187 2.870 20 30 EFEDHM C=C(CC)CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001602767719 1096367201 /nfs/dbraw/zinc/36/72/01/1096367201.db2.gz LUEIZBAKKHFUOZ-UHFFFAOYSA-N -1 3 326.187 2.870 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602769968 1096367273 /nfs/dbraw/zinc/36/72/73/1096367273.db2.gz PPKTUJCXXYTQQF-HOCLYGCPSA-N -1 3 339.399 2.664 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602769968 1096367280 /nfs/dbraw/zinc/36/72/80/1096367280.db2.gz PPKTUJCXXYTQQF-HOCLYGCPSA-N -1 3 339.399 2.664 20 30 EFEDHM C=C(C)c1cccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001602770439 1096367617 /nfs/dbraw/zinc/36/76/17/1096367617.db2.gz ZPHXTEWDTGDZGS-MRXNPFEDSA-N -1 3 335.367 2.572 20 30 EFEDHM C=C(C)c1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602770439 1096367624 /nfs/dbraw/zinc/36/76/24/1096367624.db2.gz ZPHXTEWDTGDZGS-MRXNPFEDSA-N -1 3 335.367 2.572 20 30 EFEDHM C=C(CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001602767550 1096368247 /nfs/dbraw/zinc/36/82/47/1096368247.db2.gz ITOCFPZLRYOLSH-UHFFFAOYSA-N -1 3 341.321 2.588 20 30 EFEDHM C=C(CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001602767550 1096368254 /nfs/dbraw/zinc/36/82/54/1096368254.db2.gz ITOCFPZLRYOLSH-UHFFFAOYSA-N -1 3 341.321 2.588 20 30 EFEDHM C=C(CC)CNC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001602767292 1096368307 /nfs/dbraw/zinc/36/83/07/1096368307.db2.gz DAANWZNCTDLPSC-UHFFFAOYSA-N -1 3 326.404 2.511 20 30 EFEDHM C=C(CC)CNC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001602767292 1096368314 /nfs/dbraw/zinc/36/83/14/1096368314.db2.gz DAANWZNCTDLPSC-UHFFFAOYSA-N -1 3 326.404 2.511 20 30 EFEDHM C=C1CCC(CNC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602776281 1096368858 /nfs/dbraw/zinc/36/88/58/1096368858.db2.gz YWSZRNKVHXUOET-ZDUSSCGKSA-N -1 3 340.431 2.973 20 30 EFEDHM C=C1CCC(CNC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602776281 1096368869 /nfs/dbraw/zinc/36/88/69/1096368869.db2.gz YWSZRNKVHXUOET-ZDUSSCGKSA-N -1 3 340.431 2.973 20 30 EFEDHM C=C[C@H](C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001602780976 1096369448 /nfs/dbraw/zinc/36/94/48/1096369448.db2.gz VBNLBEFRHVIPSB-WMZOPIPTSA-N -1 3 345.406 2.940 20 30 EFEDHM C=C[C@H](C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001602780976 1096369453 /nfs/dbraw/zinc/36/94/53/1096369453.db2.gz VBNLBEFRHVIPSB-WMZOPIPTSA-N -1 3 345.406 2.940 20 30 EFEDHM C=C[C@@H](CC)CC(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001602801215 1096371629 /nfs/dbraw/zinc/37/16/29/1096371629.db2.gz SGTZZKUPDBNDST-LBPRGKRZSA-N -1 3 326.404 2.668 20 30 EFEDHM C=C[C@@H](CC)CC(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001602801215 1096371637 /nfs/dbraw/zinc/37/16/37/1096371637.db2.gz SGTZZKUPDBNDST-LBPRGKRZSA-N -1 3 326.404 2.668 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001602803086 1096373999 /nfs/dbraw/zinc/37/39/99/1096373999.db2.gz GXMICANNWNCKON-NSHDSACASA-N -1 3 333.342 2.526 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001602803086 1096374007 /nfs/dbraw/zinc/37/40/07/1096374007.db2.gz GXMICANNWNCKON-NSHDSACASA-N -1 3 333.342 2.526 20 30 EFEDHM C=C[C@@H](NCc1ccc(CNC(=O)OC(C)(C)C)cc1F)C(=O)[O-] ZINC001602818510 1096375402 /nfs/dbraw/zinc/37/54/02/1096375402.db2.gz AHXYQVUDNBJDLM-CQSZACIVSA-N -1 3 338.379 2.579 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602811803 1096375446 /nfs/dbraw/zinc/37/54/46/1096375446.db2.gz PXZYWVSFSVUSLV-ZFWWWQNUSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CC[C@H](CC)NC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602811803 1096375454 /nfs/dbraw/zinc/37/54/54/1096375454.db2.gz PXZYWVSFSVUSLV-ZFWWWQNUSA-N -1 3 326.404 2.508 20 30 EFEDHM C=CC[C@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001602812257 1096375737 /nfs/dbraw/zinc/37/57/37/1096375737.db2.gz ZOWOHRLVWRHPJY-LBPRGKRZSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CC[C@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001602812257 1096375742 /nfs/dbraw/zinc/37/57/42/1096375742.db2.gz ZOWOHRLVWRHPJY-LBPRGKRZSA-N -1 3 330.392 2.742 20 30 EFEDHM C=C[C@@H](NCc1cccc(NC(=O)c2cccc(F)c2)c1)C(=O)[O-] ZINC001602819384 1096378238 /nfs/dbraw/zinc/37/82/38/1096378238.db2.gz UJGTYKBFYBQRIE-MRXNPFEDSA-N -1 3 328.343 2.807 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602833533 1096378994 /nfs/dbraw/zinc/37/89/94/1096378994.db2.gz PKZHVVAYKLHNRO-KHPPLWFESA-N -1 3 325.416 2.989 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602833533 1096379004 /nfs/dbraw/zinc/37/90/04/1096379004.db2.gz PKZHVVAYKLHNRO-KHPPLWFESA-N -1 3 325.416 2.989 20 30 EFEDHM C=CCCC(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602833583 1096379140 /nfs/dbraw/zinc/37/91/40/1096379140.db2.gz QZNFBYKWQNKUBS-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCC(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602833583 1096379149 /nfs/dbraw/zinc/37/91/49/1096379149.db2.gz QZNFBYKWQNKUBS-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602833337 1096379247 /nfs/dbraw/zinc/37/92/47/1096379247.db2.gz KDAZMIJQFAHXKB-LBPRGKRZSA-N -1 3 330.367 2.968 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602833337 1096379255 /nfs/dbraw/zinc/37/92/55/1096379255.db2.gz KDAZMIJQFAHXKB-LBPRGKRZSA-N -1 3 330.367 2.968 20 30 EFEDHM C=CCCCCCNC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001602837829 1096380509 /nfs/dbraw/zinc/38/05/09/1096380509.db2.gz IGRSTPKHZHDBHK-UHFFFAOYSA-N -1 3 342.447 2.797 20 30 EFEDHM C=CCCCCCNC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001602837829 1096380519 /nfs/dbraw/zinc/38/05/19/1096380519.db2.gz IGRSTPKHZHDBHK-UHFFFAOYSA-N -1 3 342.447 2.797 20 30 EFEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602849471 1096384044 /nfs/dbraw/zinc/38/40/44/1096384044.db2.gz AKGCIMDHUCYMDS-UHFFFAOYSA-N -1 3 340.431 2.779 20 30 EFEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602849471 1096384048 /nfs/dbraw/zinc/38/40/48/1096384048.db2.gz AKGCIMDHUCYMDS-UHFFFAOYSA-N -1 3 340.431 2.779 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(C)cc1 ZINC001602856454 1096385368 /nfs/dbraw/zinc/38/53/68/1096385368.db2.gz LFJGLRZTXWISNO-UHFFFAOYSA-N -1 3 347.422 2.932 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(C)cc1 ZINC001602856454 1096385377 /nfs/dbraw/zinc/38/53/77/1096385377.db2.gz LFJGLRZTXWISNO-UHFFFAOYSA-N -1 3 347.422 2.932 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)c1sccc1-c1nnn[n-]1 ZINC001602852480 1096385947 /nfs/dbraw/zinc/38/59/47/1096385947.db2.gz QZLLVWSGSMEIDI-UHFFFAOYSA-N -1 3 339.424 2.799 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)c1sccc1-c1nn[n-]n1 ZINC001602852480 1096385955 /nfs/dbraw/zinc/38/59/55/1096385955.db2.gz QZLLVWSGSMEIDI-UHFFFAOYSA-N -1 3 339.424 2.799 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC(C)(C)C=C ZINC001602853475 1096386357 /nfs/dbraw/zinc/38/63/57/1096386357.db2.gz AYMQZYQVVRTMJE-UHFFFAOYSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC(C)(C)C=C ZINC001602853475 1096386365 /nfs/dbraw/zinc/38/63/65/1096386365.db2.gz AYMQZYQVVRTMJE-UHFFFAOYSA-N -1 3 325.416 2.984 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1cnc(C)cn1 ZINC001602858343 1096387268 /nfs/dbraw/zinc/38/72/68/1096387268.db2.gz OYWXXJIOFUIFBI-AWEZNQCLSA-N -1 3 335.415 2.714 20 30 EFEDHM C=CCCC[C@@H](C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC001602860579 1096388323 /nfs/dbraw/zinc/38/83/23/1096388323.db2.gz IFSRJRACBNUUHN-QZTJIDSGSA-N -1 3 344.455 2.601 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@H](C)CC2 ZINC001602869839 1096389423 /nfs/dbraw/zinc/38/94/23/1096389423.db2.gz DYJSAOHGPTXFET-NXEZZACHSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@H](C)CC2 ZINC001602869839 1096389432 /nfs/dbraw/zinc/38/94/32/1096389432.db2.gz DYJSAOHGPTXFET-NXEZZACHSA-N -1 3 347.444 2.755 20 30 EFEDHM CC#CCCCC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@@H](C)CC2 ZINC001602894131 1096392890 /nfs/dbraw/zinc/39/28/90/1096392890.db2.gz QFEJPHGEWBETHH-LBPRGKRZSA-N -1 3 338.415 2.519 20 30 EFEDHM CC#CCCCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@@H](C)CC2 ZINC001602894131 1096392900 /nfs/dbraw/zinc/39/29/00/1096392900.db2.gz QFEJPHGEWBETHH-LBPRGKRZSA-N -1 3 338.415 2.519 20 30 EFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC001602908118 1096397366 /nfs/dbraw/zinc/39/73/66/1096397366.db2.gz LLSFKDNBVKXXCZ-UHFFFAOYSA-N -1 3 344.382 2.889 20 30 EFEDHM CC(N=Nc1nncc2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC001602908111 1096397604 /nfs/dbraw/zinc/39/76/04/1096397604.db2.gz KRAFMNXWCLDBSD-UHFFFAOYSA-N -1 3 330.355 2.646 20 30 EFEDHM CC(N=Nc1nncc2ccccc21)c1ccccc1-c1nn[n-]n1 ZINC001602908111 1096397608 /nfs/dbraw/zinc/39/76/08/1096397608.db2.gz KRAFMNXWCLDBSD-UHFFFAOYSA-N -1 3 330.355 2.646 20 30 EFEDHM CC(=NNC1CCC(F)(F)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602906381 1096397800 /nfs/dbraw/zinc/39/78/00/1096397800.db2.gz NDFYXUGHENAJIF-UHFFFAOYSA-N -1 3 338.337 2.897 20 30 EFEDHM CC(=NNC1CCC(F)(F)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602906381 1096397803 /nfs/dbraw/zinc/39/78/03/1096397803.db2.gz NDFYXUGHENAJIF-UHFFFAOYSA-N -1 3 338.337 2.897 20 30 EFEDHM CC(N=Nc1nccnc1C1CCC1)c1ccccc1-c1nnn[n-]1 ZINC001602907883 1096397840 /nfs/dbraw/zinc/39/78/40/1096397840.db2.gz BIDOBDBMKJTEAQ-UHFFFAOYSA-N -1 3 334.387 2.760 20 30 EFEDHM CC(N=Nc1nccnc1C1CCC1)c1ccccc1-c1nn[n-]n1 ZINC001602907883 1096397844 /nfs/dbraw/zinc/39/78/44/1096397844.db2.gz BIDOBDBMKJTEAQ-UHFFFAOYSA-N -1 3 334.387 2.760 20 30 EFEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccccc1-c1nnn[n-]1 ZINC001602907885 1096398395 /nfs/dbraw/zinc/39/83/95/1096398395.db2.gz BIXOTTHJTKTPDO-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccccc1-c1nn[n-]n1 ZINC001602907885 1096398401 /nfs/dbraw/zinc/39/84/01/1096398401.db2.gz BIXOTTHJTKTPDO-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM C=CCOc1ccc(CNCc2cc(C(=O)[O-])c(C)n2C)cc1OC ZINC001602921839 1096401320 /nfs/dbraw/zinc/40/13/20/1096401320.db2.gz VQLKEPFSPAEUJX-UHFFFAOYSA-N -1 3 344.411 2.895 20 30 EFEDHM C=CCc1cc(CNCc2cc(C(=O)[O-])c(C)n2C)cc(OC)c1O ZINC001602926779 1096402476 /nfs/dbraw/zinc/40/24/76/1096402476.db2.gz NMKFSTWFXMOIEU-UHFFFAOYSA-N -1 3 344.411 2.764 20 30 EFEDHM CC(C)(C(=O)O[C@H]1CC[C@@H](C#N)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603048355 1096425111 /nfs/dbraw/zinc/42/51/11/1096425111.db2.gz GIOQCIZCLADCGC-YGRLFVJLSA-N -1 3 343.362 2.519 20 30 EFEDHM CC(C)(C(=O)O[C@H]1CC[C@@H](C#N)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603048355 1096425114 /nfs/dbraw/zinc/42/51/14/1096425114.db2.gz GIOQCIZCLADCGC-YGRLFVJLSA-N -1 3 343.362 2.519 20 30 EFEDHM CC(C)(C)Oc1ccc(NCc2ccnc(C#N)c2)cc1-c1nnn[n-]1 ZINC001603108509 1096446278 /nfs/dbraw/zinc/44/62/78/1096446278.db2.gz RXBFHVVWVKPDJX-UHFFFAOYSA-N -1 3 349.398 2.923 20 30 EFEDHM CC(C)(C)Oc1ccc(NCc2ccnc(C#N)c2)cc1-c1nn[n-]n1 ZINC001603108509 1096446282 /nfs/dbraw/zinc/44/62/82/1096446282.db2.gz RXBFHVVWVKPDJX-UHFFFAOYSA-N -1 3 349.398 2.923 20 30 EFEDHM CC(C)(C)c1csc(NC(=O)c2coc(C#N)c2)c1-c1nnn[n-]1 ZINC001603122760 1096451032 /nfs/dbraw/zinc/45/10/32/1096451032.db2.gz TZKPWFSDTGRNGS-UHFFFAOYSA-N -1 3 342.384 2.943 20 30 EFEDHM CC(C)(C)c1csc(NC(=O)c2coc(C#N)c2)c1-c1nn[n-]n1 ZINC001603122760 1096451038 /nfs/dbraw/zinc/45/10/38/1096451038.db2.gz TZKPWFSDTGRNGS-UHFFFAOYSA-N -1 3 342.384 2.943 20 30 EFEDHM CC(C)(C)c1ncc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001603125903 1096453433 /nfs/dbraw/zinc/45/34/33/1096453433.db2.gz WVLYCOIDCJDEFJ-FPLPWBNLSA-N -1 3 334.383 2.850 20 30 EFEDHM CC(C)(C)c1ncc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001603125903 1096453436 /nfs/dbraw/zinc/45/34/36/1096453436.db2.gz WVLYCOIDCJDEFJ-FPLPWBNLSA-N -1 3 334.383 2.850 20 30 EFEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCCC#N ZINC001603237475 1096481267 /nfs/dbraw/zinc/48/12/67/1096481267.db2.gz OTHMEOSAVRHWFQ-OAHLLOKOSA-N -1 3 343.387 2.507 20 30 EFEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCCC#N ZINC001603237475 1096481270 /nfs/dbraw/zinc/48/12/70/1096481270.db2.gz OTHMEOSAVRHWFQ-OAHLLOKOSA-N -1 3 343.387 2.507 20 30 EFEDHM CC(C)C[C@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603263570 1096488540 /nfs/dbraw/zinc/48/85/40/1096488540.db2.gz QFBTVHFXFICGRB-SWLSCSKDSA-N -1 3 327.388 2.527 20 30 EFEDHM CC(C)C[C@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603263570 1096488542 /nfs/dbraw/zinc/48/85/42/1096488542.db2.gz QFBTVHFXFICGRB-SWLSCSKDSA-N -1 3 327.388 2.527 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001603283131 1096494281 /nfs/dbraw/zinc/49/42/81/1096494281.db2.gz IQTKCYHRIVFEGH-UHFFFAOYSA-N -1 3 346.822 2.922 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001603283131 1096494287 /nfs/dbraw/zinc/49/42/87/1096494287.db2.gz IQTKCYHRIVFEGH-UHFFFAOYSA-N -1 3 346.822 2.922 20 30 EFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001603330092 1096506704 /nfs/dbraw/zinc/50/67/04/1096506704.db2.gz HFIVNEGRTKMZBS-UHFFFAOYSA-N -1 3 346.394 2.789 20 30 EFEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001603330092 1096506712 /nfs/dbraw/zinc/50/67/12/1096506712.db2.gz HFIVNEGRTKMZBS-UHFFFAOYSA-N -1 3 346.394 2.789 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1ccccc1C#N ZINC001603572598 1096554642 /nfs/dbraw/zinc/55/46/42/1096554642.db2.gz PSHHQEIWOZOQMM-CYBMUJFWSA-N -1 3 346.394 2.580 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1ccccc1C#N ZINC001603572598 1096554647 /nfs/dbraw/zinc/55/46/47/1096554647.db2.gz PSHHQEIWOZOQMM-CYBMUJFWSA-N -1 3 346.394 2.580 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001603578147 1096556538 /nfs/dbraw/zinc/55/65/38/1096556538.db2.gz KUDHPEQTIUKNRE-ZDUSSCGKSA-N -1 3 346.394 2.580 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001603578147 1096556543 /nfs/dbraw/zinc/55/65/43/1096556543.db2.gz KUDHPEQTIUKNRE-ZDUSSCGKSA-N -1 3 346.394 2.580 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H](C#N)C(C)(C)C ZINC001603576640 1096557296 /nfs/dbraw/zinc/55/72/96/1096557296.db2.gz LKZZTRJYFZXTHT-BXUZGUMPSA-N -1 3 327.388 2.527 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C#N)C(C)(C)C ZINC001603576640 1096557304 /nfs/dbraw/zinc/55/73/04/1096557304.db2.gz LKZZTRJYFZXTHT-BXUZGUMPSA-N -1 3 327.388 2.527 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCC(C)(C)C#N ZINC001603578156 1096557435 /nfs/dbraw/zinc/55/74/35/1096557435.db2.gz LKBHDOPIEIBMCN-CYBMUJFWSA-N -1 3 341.415 2.918 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCC(C)(C)C#N ZINC001603578156 1096557442 /nfs/dbraw/zinc/55/74/42/1096557442.db2.gz LKBHDOPIEIBMCN-CYBMUJFWSA-N -1 3 341.415 2.918 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C1(C#N)CCCCC1 ZINC001603728836 1096605071 /nfs/dbraw/zinc/60/50/71/1096605071.db2.gz INWJBHQPGKESPJ-CYBMUJFWSA-N -1 3 338.415 2.860 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C1(C#N)CCCCC1 ZINC001603728836 1096605074 /nfs/dbraw/zinc/60/50/74/1096605074.db2.gz INWJBHQPGKESPJ-CYBMUJFWSA-N -1 3 338.415 2.860 20 30 EFEDHM C[C@@]1(C#N)CCN(Cc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC001603737584 1096608928 /nfs/dbraw/zinc/60/89/28/1096608928.db2.gz URQMNESCDPZRNL-AWEZNQCLSA-N -1 3 336.321 2.621 20 30 EFEDHM C[C@@]1(C#N)CCN(Cc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001603737584 1096608935 /nfs/dbraw/zinc/60/89/35/1096608935.db2.gz URQMNESCDPZRNL-AWEZNQCLSA-N -1 3 336.321 2.621 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001603735725 1096608957 /nfs/dbraw/zinc/60/89/57/1096608957.db2.gz VUIMHOAUOXGZGG-ZDUSSCGKSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603735725 1096608962 /nfs/dbraw/zinc/60/89/62/1096608962.db2.gz VUIMHOAUOXGZGG-ZDUSSCGKSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC001603879969 1096653407 /nfs/dbraw/zinc/65/34/07/1096653407.db2.gz CWZRKWXAOWGZDN-QFYYESIMSA-N -1 3 344.806 2.722 20 30 EFEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC001603879969 1096653411 /nfs/dbraw/zinc/65/34/11/1096653411.db2.gz CWZRKWXAOWGZDN-QFYYESIMSA-N -1 3 344.806 2.722 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001603980522 1096686800 /nfs/dbraw/zinc/68/68/00/1096686800.db2.gz SZNJIRZIYXWHHQ-KRWDZBQOSA-N -1 3 342.403 2.922 20 30 EFEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001603980522 1096686802 /nfs/dbraw/zinc/68/68/02/1096686802.db2.gz SZNJIRZIYXWHHQ-KRWDZBQOSA-N -1 3 342.403 2.922 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001603980523 1096687673 /nfs/dbraw/zinc/68/76/73/1096687673.db2.gz SZNJIRZIYXWHHQ-QGZVFWFLSA-N -1 3 342.403 2.922 20 30 EFEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001603980523 1096687677 /nfs/dbraw/zinc/68/76/77/1096687677.db2.gz SZNJIRZIYXWHHQ-QGZVFWFLSA-N -1 3 342.403 2.922 20 30 EFEDHM CCC(CC)CN(CCC#N)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001604025788 1096702491 /nfs/dbraw/zinc/70/24/91/1096702491.db2.gz NWTZEPBOLMOKOW-KRWDZBQOSA-N -1 3 342.447 2.552 20 30 EFEDHM CCC(CC)NN=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001604027639 1096704327 /nfs/dbraw/zinc/70/43/27/1096704327.db2.gz KKAARCFWHWPSBN-UHFFFAOYSA-N -1 3 337.431 2.829 20 30 EFEDHM CCC(CC)NN=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001604027639 1096704330 /nfs/dbraw/zinc/70/43/30/1096704330.db2.gz KKAARCFWHWPSBN-UHFFFAOYSA-N -1 3 337.431 2.829 20 30 EFEDHM CCCCCCCNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001604176318 1096761435 /nfs/dbraw/zinc/76/14/35/1096761435.db2.gz NFVISVUIIYMNPQ-UHFFFAOYSA-N -1 3 327.432 2.985 20 30 EFEDHM CCCCCCCNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001604176318 1096761442 /nfs/dbraw/zinc/76/14/42/1096761442.db2.gz NFVISVUIIYMNPQ-UHFFFAOYSA-N -1 3 327.432 2.985 20 30 EFEDHM CCCCCCCC(=O)N(C)C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001604175638 1096761518 /nfs/dbraw/zinc/76/15/18/1096761518.db2.gz KQQDZTFSDPPIDH-INIZCTEOSA-N -1 3 345.447 2.719 20 30 EFEDHM CCCCCCCC(=O)N(C)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001604175638 1096761524 /nfs/dbraw/zinc/76/15/24/1096761524.db2.gz KQQDZTFSDPPIDH-INIZCTEOSA-N -1 3 345.447 2.719 20 30 EFEDHM CCCCO[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cn2)C1(C)C ZINC001604187756 1096767361 /nfs/dbraw/zinc/76/73/61/1096767361.db2.gz RPGRJRQGVKTSGT-ZDUSSCGKSA-N -1 3 329.408 2.645 20 30 EFEDHM CCCCO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cn2)C1(C)C ZINC001604187756 1096767366 /nfs/dbraw/zinc/76/73/66/1096767366.db2.gz RPGRJRQGVKTSGT-ZDUSSCGKSA-N -1 3 329.408 2.645 20 30 EFEDHM CCc1cccc(C)c1NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001604530430 1096894940 /nfs/dbraw/zinc/89/49/40/1096894940.db2.gz VUEMKXLIXOQMKM-UHFFFAOYSA-N -1 3 346.398 2.831 20 30 EFEDHM CCc1cccc(C)c1NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001604530430 1096894946 /nfs/dbraw/zinc/89/49/46/1096894946.db2.gz VUEMKXLIXOQMKM-UHFFFAOYSA-N -1 3 346.398 2.831 20 30 EFEDHM CO[C@@H](C(C)=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001604996089 1096996178 /nfs/dbraw/zinc/99/61/78/1096996178.db2.gz SQFCGJSBBLYMQL-KRWDZBQOSA-N -1 3 336.399 2.720 20 30 EFEDHM CO[C@@H](C(C)=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001604996089 1096996180 /nfs/dbraw/zinc/99/61/80/1096996180.db2.gz SQFCGJSBBLYMQL-KRWDZBQOSA-N -1 3 336.399 2.720 20 30 EFEDHM COc1cc(C=NN2CCC(C(C)(C)C)CC2)ccc1-c1nnn[n-]1 ZINC001605206372 1097051321 /nfs/dbraw/zinc/05/13/21/1097051321.db2.gz VGZSSYXMZSQXPW-UHFFFAOYSA-N -1 3 342.447 2.967 20 30 EFEDHM COc1cc(C=NN2CCC(C(C)(C)C)CC2)ccc1-c1nn[n-]n1 ZINC001605206372 1097051325 /nfs/dbraw/zinc/05/13/25/1097051325.db2.gz VGZSSYXMZSQXPW-UHFFFAOYSA-N -1 3 342.447 2.967 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(C)cc(C#N)cc1C ZINC001605248177 1097067731 /nfs/dbraw/zinc/06/77/31/1097067731.db2.gz CMCZYZNGEHIABA-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(C)cc(C#N)cc1C ZINC001605248177 1097067737 /nfs/dbraw/zinc/06/77/37/1097067737.db2.gz CMCZYZNGEHIABA-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001605270103 1097076310 /nfs/dbraw/zinc/07/63/10/1097076310.db2.gz OGNQWZUDCTZYTB-HWKANZROSA-N -1 3 342.380 2.842 20 30 EFEDHM COc1ccsc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001605270103 1097076318 /nfs/dbraw/zinc/07/63/18/1097076318.db2.gz OGNQWZUDCTZYTB-HWKANZROSA-N -1 3 342.380 2.842 20 30 EFEDHM COc1ccc(CCCNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001605271197 1097076415 /nfs/dbraw/zinc/07/64/15/1097076415.db2.gz BGAGQKQBNUDBIV-UHFFFAOYSA-N -1 3 334.383 2.792 20 30 EFEDHM COc1ccc(CCCNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001605271197 1097076419 /nfs/dbraw/zinc/07/64/19/1097076419.db2.gz BGAGQKQBNUDBIV-UHFFFAOYSA-N -1 3 334.383 2.792 20 30 EFEDHM COc1cccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1OC ZINC001605319715 1097095357 /nfs/dbraw/zinc/09/53/57/1097095357.db2.gz RGEYNESMDAGJBP-NTEUORMPSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1OC ZINC001605319715 1097095365 /nfs/dbraw/zinc/09/53/65/1097095365.db2.gz RGEYNESMDAGJBP-NTEUORMPSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccccc1CON=C(C)c1ccc(-c2nnn[n-]2)s1 ZINC001605333615 1097099184 /nfs/dbraw/zinc/09/91/84/1097099184.db2.gz MSZATXZCIPYBSA-UHFFFAOYSA-N -1 3 329.385 2.878 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CNc1ccc(OCC#N)cc1 ZINC001605523913 1097146582 /nfs/dbraw/zinc/14/65/82/1097146582.db2.gz OTQNCVGOHABIQZ-UHFFFAOYSA-N -1 3 334.383 2.998 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CNc1ccc(OCC#N)cc1 ZINC001605523913 1097146589 /nfs/dbraw/zinc/14/65/89/1097146589.db2.gz OTQNCVGOHABIQZ-UHFFFAOYSA-N -1 3 334.383 2.998 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC1CCC(C#N)CC1 ZINC001605539975 1097153013 /nfs/dbraw/zinc/15/30/13/1097153013.db2.gz HRJZOUYMHGKTER-UHFFFAOYSA-N -1 3 325.372 2.662 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC1CCC(C#N)CC1 ZINC001605539975 1097153017 /nfs/dbraw/zinc/15/30/17/1097153017.db2.gz HRJZOUYMHGKTER-UHFFFAOYSA-N -1 3 325.372 2.662 20 30 EFEDHM Cc1cc(C(=O)OCCC2(C#N)CCCCC2)ncc1-c1nnn[n-]1 ZINC001605629848 1097173373 /nfs/dbraw/zinc/17/33/73/1097173373.db2.gz GAXDPRSDFRDVHO-UHFFFAOYSA-N -1 3 340.387 2.591 20 30 EFEDHM Cc1cc(C(=O)OCCC2(C#N)CCCCC2)ncc1-c1nn[n-]n1 ZINC001605629848 1097173375 /nfs/dbraw/zinc/17/33/75/1097173375.db2.gz GAXDPRSDFRDVHO-UHFFFAOYSA-N -1 3 340.387 2.591 20 30 EFEDHM Cc1cc(C)cc([C@H](O)CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001605643961 1097177672 /nfs/dbraw/zinc/17/76/72/1097177672.db2.gz GTBWITKTWAMZCW-MRXNPFEDSA-N -1 3 334.383 2.501 20 30 EFEDHM Cc1cc(C)cc([C@H](O)CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001605643961 1097177676 /nfs/dbraw/zinc/17/76/76/1097177676.db2.gz GTBWITKTWAMZCW-MRXNPFEDSA-N -1 3 334.383 2.501 20 30 EFEDHM Cc1cc(C)cc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001605647129 1097179704 /nfs/dbraw/zinc/17/97/04/1097179704.db2.gz JYJMVINXGZYWTA-INIZCTEOSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1cc(C)cc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605647129 1097179707 /nfs/dbraw/zinc/17/97/07/1097179707.db2.gz JYJMVINXGZYWTA-INIZCTEOSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1cc(F)ccc1N(CC#N)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001605683262 1097194356 /nfs/dbraw/zinc/19/43/56/1097194356.db2.gz YWQIWECGULVPDY-UHFFFAOYSA-N -1 3 342.359 2.546 20 30 EFEDHM Cc1cc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1C#N ZINC001605745340 1097214131 /nfs/dbraw/zinc/21/41/31/1097214131.db2.gz WAEYNSDDLFDPLY-VQHVLOKHSA-N -1 3 331.335 2.666 20 30 EFEDHM Cc1cc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1C#N ZINC001605745340 1097214135 /nfs/dbraw/zinc/21/41/35/1097214135.db2.gz WAEYNSDDLFDPLY-VQHVLOKHSA-N -1 3 331.335 2.666 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001605805690 1097232538 /nfs/dbraw/zinc/23/25/38/1097232538.db2.gz DHIVECGUWICSRV-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001605805690 1097232544 /nfs/dbraw/zinc/23/25/44/1097232544.db2.gz DHIVECGUWICSRV-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001605806250 1097233425 /nfs/dbraw/zinc/23/34/25/1097233425.db2.gz ZOGCVFLUWQKNLS-UHFFFAOYSA-N -1 3 349.398 2.856 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001605806250 1097233432 /nfs/dbraw/zinc/23/34/32/1097233432.db2.gz ZOGCVFLUWQKNLS-UHFFFAOYSA-N -1 3 349.398 2.856 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(Cl)c1 ZINC001605823548 1097238970 /nfs/dbraw/zinc/23/89/70/1097238970.db2.gz MKSLLGMBAPLFSO-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(Cl)c1 ZINC001605823548 1097238973 /nfs/dbraw/zinc/23/89/73/1097238973.db2.gz MKSLLGMBAPLFSO-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(CN2CCCc3c(-c4nnn[n-]4)cccc32)cc1C#N ZINC001605847770 1097250640 /nfs/dbraw/zinc/25/06/40/1097250640.db2.gz MQMUSNSKNTVQEF-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1ccc(CN2CCCc3c(-c4nn[n-]n4)cccc32)cc1C#N ZINC001605847770 1097250644 /nfs/dbraw/zinc/25/06/44/1097250644.db2.gz MQMUSNSKNTVQEF-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1nc(N[C@H]2CCCc3cc(C#N)ccc32)ccc1-c1nnn[n-]1 ZINC001606066127 1097311861 /nfs/dbraw/zinc/31/18/61/1097311861.db2.gz CFARZQOLNOKCSE-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1nc(N[C@H]2CCCc3cc(C#N)ccc32)ccc1-c1nn[n-]n1 ZINC001606066127 1097311867 /nfs/dbraw/zinc/31/18/67/1097311867.db2.gz CFARZQOLNOKCSE-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1nc(NCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)cc1C#N ZINC001606077095 1097312218 /nfs/dbraw/zinc/31/22/18/1097312218.db2.gz OSVODTMMZRSCHU-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1nc(NCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)cc1C#N ZINC001606077095 1097312222 /nfs/dbraw/zinc/31/22/22/1097312222.db2.gz OSVODTMMZRSCHU-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM CN(Cc1ccc(C(=O)[O-])c(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC001606150328 1097329632 /nfs/dbraw/zinc/32/96/32/1097329632.db2.gz NNIRQFUZTVWFPH-KRWDZBQOSA-N -1 3 328.343 2.561 20 30 EFEDHM Cc1occc1-c1noc([C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001606175336 1097338098 /nfs/dbraw/zinc/33/80/98/1097338098.db2.gz FZERYCLDEJEZFO-CYBMUJFWSA-N -1 3 347.338 2.668 20 30 EFEDHM Cc1occc1-c1noc([C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001606175336 1097338102 /nfs/dbraw/zinc/33/81/02/1097338102.db2.gz FZERYCLDEJEZFO-CYBMUJFWSA-N -1 3 347.338 2.668 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCOC3(CCCC3)C2)n1 ZINC001606184634 1097341501 /nfs/dbraw/zinc/34/15/01/1097341501.db2.gz JSKPPJKVVHOGIW-UHFFFAOYSA-N -1 3 347.810 2.806 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCOC3(CCCC3)C2)n1 ZINC001606184634 1097341503 /nfs/dbraw/zinc/34/15/03/1097341503.db2.gz JSKPPJKVVHOGIW-UHFFFAOYSA-N -1 3 347.810 2.806 20 30 EFEDHM Clc1cccc2c1C(=NNc1ccc(-c3nn[n-]n3)cc1)COC2 ZINC001606195927 1097348622 /nfs/dbraw/zinc/34/86/22/1097348622.db2.gz RVGMNLXHTUOOTK-UHFFFAOYSA-N -1 3 340.774 2.867 20 30 EFEDHM Clc1cccc2c1C(=NNc1cccc(-c3nnn[n-]3)c1)CO2 ZINC001606196544 1097349050 /nfs/dbraw/zinc/34/90/50/1097349050.db2.gz ZCDJOFXHPKCUIT-UHFFFAOYSA-N -1 3 326.747 2.729 20 30 EFEDHM Clc1cccc2c1C(=NNc1cccc(-c3nn[n-]n3)c1)CO2 ZINC001606196544 1097349055 /nfs/dbraw/zinc/34/90/55/1097349055.db2.gz ZCDJOFXHPKCUIT-UHFFFAOYSA-N -1 3 326.747 2.729 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NN=Cc1ccncc1 ZINC001606290424 1097362911 /nfs/dbraw/zinc/36/29/11/1097362911.db2.gz AFNFRJVEHMHXAO-UHFFFAOYSA-N -1 3 333.277 2.727 20 30 EFEDHM N#CC1(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCCC1 ZINC001606342929 1097389658 /nfs/dbraw/zinc/38/96/58/1097389658.db2.gz IETWZLHPGIFNAG-UHFFFAOYSA-N -1 3 337.309 2.776 20 30 EFEDHM N#CC1(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCCC1 ZINC001606342929 1097389664 /nfs/dbraw/zinc/38/96/64/1097389664.db2.gz IETWZLHPGIFNAG-UHFFFAOYSA-N -1 3 337.309 2.776 20 30 EFEDHM N#CCc1ccsc1C(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001606351852 1097390765 /nfs/dbraw/zinc/39/07/65/1097390765.db2.gz WBTKKQJFPCXWOZ-UHFFFAOYSA-N -1 3 344.787 2.900 20 30 EFEDHM N#CCc1ccsc1C(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001606351852 1097390768 /nfs/dbraw/zinc/39/07/68/1097390768.db2.gz WBTKKQJFPCXWOZ-UHFFFAOYSA-N -1 3 344.787 2.900 20 30 EFEDHM N#CCc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC001606351872 1097390967 /nfs/dbraw/zinc/39/09/67/1097390967.db2.gz XIZJCPOYSDKMBE-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC001606351872 1097390973 /nfs/dbraw/zinc/39/09/73/1097390973.db2.gz XIZJCPOYSDKMBE-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001606348029 1097391203 /nfs/dbraw/zinc/39/12/03/1097391203.db2.gz JDJCPPCJKHYVJQ-UHFFFAOYSA-N -1 3 330.417 2.829 20 30 EFEDHM N#CCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001606348029 1097391210 /nfs/dbraw/zinc/39/12/10/1097391210.db2.gz JDJCPPCJKHYVJQ-UHFFFAOYSA-N -1 3 330.417 2.829 20 30 EFEDHM N#CCc1cccc(-c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC001606351826 1097391521 /nfs/dbraw/zinc/39/15/21/1097391521.db2.gz ULWQIIZHNBJGID-UHFFFAOYSA-N -1 3 329.323 2.650 20 30 EFEDHM N#CCc1cccc(-c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC001606351826 1097391525 /nfs/dbraw/zinc/39/15/25/1097391525.db2.gz ULWQIIZHNBJGID-UHFFFAOYSA-N -1 3 329.323 2.650 20 30 EFEDHM N#CCCN(C(=O)c1csc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC001606348155 1097391678 /nfs/dbraw/zinc/39/16/78/1097391678.db2.gz MXPZGUMRULFFCY-UHFFFAOYSA-N -1 3 342.359 2.628 20 30 EFEDHM N#Cc1cc(NC(=O)C[C@@H]2CCCC2(F)F)ccc1-c1nnn[n-]1 ZINC001606361681 1097392144 /nfs/dbraw/zinc/39/21/44/1097392144.db2.gz XBEGHJVBIWTHJL-JTQLQIEISA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1cc(NC(=O)C[C@@H]2CCCC2(F)F)ccc1-c1nn[n-]n1 ZINC001606361681 1097392150 /nfs/dbraw/zinc/39/21/50/1097392150.db2.gz XBEGHJVBIWTHJL-JTQLQIEISA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1cc(NC(=O)C[C@H]2CCCC2(F)F)ccc1-c1nnn[n-]1 ZINC001606361684 1097393050 /nfs/dbraw/zinc/39/30/50/1097393050.db2.gz XBEGHJVBIWTHJL-SNVBAGLBSA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1cc(NC(=O)C[C@H]2CCCC2(F)F)ccc1-c1nn[n-]n1 ZINC001606361684 1097393056 /nfs/dbraw/zinc/39/30/56/1097393056.db2.gz XBEGHJVBIWTHJL-SNVBAGLBSA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1c(F)cccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001606356321 1097393077 /nfs/dbraw/zinc/39/30/77/1097393077.db2.gz ONDCCTQJWAJBIU-ALCCZGGFSA-N -1 3 337.289 2.913 20 30 EFEDHM N#Cc1c(F)cccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001606356321 1097393082 /nfs/dbraw/zinc/39/30/82/1097393082.db2.gz ONDCCTQJWAJBIU-ALCCZGGFSA-N -1 3 337.289 2.913 20 30 EFEDHM N#Cc1ccc(N(C(=O)c2ccc(-c3nnn[n-]3)cc2)C2CCC2)cc1 ZINC001606368718 1097394266 /nfs/dbraw/zinc/39/42/66/1097394266.db2.gz GCAXQQUTZYUNTQ-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1ccc(N(C(=O)c2ccc(-c3nn[n-]n3)cc2)C2CCC2)cc1 ZINC001606368718 1097394268 /nfs/dbraw/zinc/39/42/68/1097394268.db2.gz GCAXQQUTZYUNTQ-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3ccncc3c2)cc1-c1nnn[n-]1 ZINC001606377824 1097395392 /nfs/dbraw/zinc/39/53/92/1097395392.db2.gz QXRJUDGBQQAGJX-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc3ccncc3c2)cc1-c1nn[n-]n1 ZINC001606377824 1097395395 /nfs/dbraw/zinc/39/53/95/1097395395.db2.gz QXRJUDGBQQAGJX-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cccc(C3CC3)c2)cc1-c1nnn[n-]1 ZINC001606377899 1097395402 /nfs/dbraw/zinc/39/54/02/1097395402.db2.gz XHZNDOYEEMDUNA-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cccc(C3CC3)c2)cc1-c1nn[n-]n1 ZINC001606377899 1097395406 /nfs/dbraw/zinc/39/54/06/1097395406.db2.gz XHZNDOYEEMDUNA-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCOCCc1ccccc1 ZINC001606379735 1097395439 /nfs/dbraw/zinc/39/54/39/1097395439.db2.gz KUYXFUHZIFPJJC-UHFFFAOYSA-N -1 3 348.410 2.800 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCOCCc1ccccc1 ZINC001606379735 1097395442 /nfs/dbraw/zinc/39/54/42/1097395442.db2.gz KUYXFUHZIFPJJC-UHFFFAOYSA-N -1 3 348.410 2.800 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](c2cccnc2)C1 ZINC001606381381 1097396331 /nfs/dbraw/zinc/39/63/31/1097396331.db2.gz MSCBSALZEMSEJC-OAHLLOKOSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](c2cccnc2)C1 ZINC001606381381 1097396337 /nfs/dbraw/zinc/39/63/37/1097396337.db2.gz MSCBSALZEMSEJC-OAHLLOKOSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2CCc1ccc(-c2nnn[n-]2)cc1 ZINC001606381269 1097396374 /nfs/dbraw/zinc/39/63/74/1097396374.db2.gz LBSZLNKBSAVUAH-UHFFFAOYSA-N -1 3 330.395 2.734 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2CCc1ccc(-c2nn[n-]n2)cc1 ZINC001606381269 1097396381 /nfs/dbraw/zinc/39/63/81/1097396381.db2.gz LBSZLNKBSAVUAH-UHFFFAOYSA-N -1 3 330.395 2.734 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H](c2cccnc2)C1 ZINC001606381379 1097397127 /nfs/dbraw/zinc/39/71/27/1097397127.db2.gz MSCBSALZEMSEJC-HNNXBMFYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H](c2cccnc2)C1 ZINC001606381379 1097397131 /nfs/dbraw/zinc/39/71/31/1097397131.db2.gz MSCBSALZEMSEJC-HNNXBMFYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2Nc1ncc(-c2nnn[n-]2)cc1F ZINC001606381818 1097397148 /nfs/dbraw/zinc/39/71/48/1097397148.db2.gz VFZKEJQHCOBXES-OAHLLOKOSA-N -1 3 335.346 2.762 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2Nc1ncc(-c2nn[n-]n2)cc1F ZINC001606381818 1097397151 /nfs/dbraw/zinc/39/71/51/1097397151.db2.gz VFZKEJQHCOBXES-OAHLLOKOSA-N -1 3 335.346 2.762 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC1CC(OCc2ccccc2)C1 ZINC001606379895 1097397406 /nfs/dbraw/zinc/39/74/06/1097397406.db2.gz NRNUQMDSMRXGGW-UHFFFAOYSA-N -1 3 346.394 2.898 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC1CC(OCc2ccccc2)C1 ZINC001606379895 1097397413 /nfs/dbraw/zinc/39/74/13/1097397413.db2.gz NRNUQMDSMRXGGW-UHFFFAOYSA-N -1 3 346.394 2.898 20 30 EFEDHM N#Cc1cnc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c(F)c1 ZINC001606390087 1097398112 /nfs/dbraw/zinc/39/81/12/1097398112.db2.gz LUQGDPPEVLJLHJ-OAHLLOKOSA-N -1 3 335.346 2.762 20 30 EFEDHM N#Cc1cnc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c(F)c1 ZINC001606390087 1097398116 /nfs/dbraw/zinc/39/81/16/1097398116.db2.gz LUQGDPPEVLJLHJ-OAHLLOKOSA-N -1 3 335.346 2.762 20 30 EFEDHM N#Cc1cnc(N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC001606389610 1097398643 /nfs/dbraw/zinc/39/86/43/1097398643.db2.gz BMXLTPIGOVQRKU-UHFFFAOYSA-N -1 3 349.373 2.656 20 30 EFEDHM C#CCCCCCC(=O)N[C@@H](C)CCNC(=O)c1ccccc1[O-] ZINC001075673503 1097443714 /nfs/dbraw/zinc/44/37/14/1097443714.db2.gz LFRSJBKTQBWQSV-HNNXBMFYSA-N -1 3 330.428 2.601 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1nc(Cl)cs1 ZINC001607037426 1097501233 /nfs/dbraw/zinc/50/12/33/1097501233.db2.gz LQDYVQGPROCSAF-UITAMQMPSA-N -1 3 329.772 2.799 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1nc(Cl)cs1 ZINC001607037426 1097501238 /nfs/dbraw/zinc/50/12/38/1097501238.db2.gz LQDYVQGPROCSAF-UITAMQMPSA-N -1 3 329.772 2.799 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC001607036825 1097501546 /nfs/dbraw/zinc/50/15/46/1097501546.db2.gz NRLBQNLVSBZXQL-VZUCSPMQSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC001607036825 1097501552 /nfs/dbraw/zinc/50/15/52/1097501552.db2.gz NRLBQNLVSBZXQL-VZUCSPMQSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1ccc([N+](=O)[O-])cc1 ZINC001607037350 1097502015 /nfs/dbraw/zinc/50/20/15/1097502015.db2.gz YIICSASGCIENCP-NTUHNPAUSA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1ccc([N+](=O)[O-])cc1 ZINC001607037350 1097502017 /nfs/dbraw/zinc/50/20/17/1097502017.db2.gz YIICSASGCIENCP-NTUHNPAUSA-N -1 3 333.307 2.597 20 30 EFEDHM COc1ccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C#N ZINC001607251075 1097575389 /nfs/dbraw/zinc/57/53/89/1097575389.db2.gz UAEVJZYSYQYHKZ-UHFFFAOYSA-N -1 3 346.333 2.932 20 30 EFEDHM N#Cc1c(CN2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1C(=O)[O-] ZINC001608191196 1097856457 /nfs/dbraw/zinc/85/64/57/1097856457.db2.gz IMRQJUAFDICLQI-KBAYOESNSA-N -1 3 328.412 2.772 20 30 EFEDHM O=C([O-])[C@]1(NCC#Cc2ccccc2)CCCN(Cc2ccccc2)C1 ZINC001608575193 1097959481 /nfs/dbraw/zinc/95/94/81/1097959481.db2.gz GPJBUXHMNRDQLW-QFIPXVFZSA-N -1 3 348.446 2.747 20 30 EFEDHM O=C([O-])C[C@]1(NCC#Cc2ccc(C(F)(F)F)cc2)CCCOC1 ZINC001608686632 1097990212 /nfs/dbraw/zinc/99/02/12/1097990212.db2.gz OGVFPRKYIWNGBQ-MRXNPFEDSA-N -1 3 341.329 2.670 20 30 EFEDHM O=C([O-])C[C@@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001608696574 1097992892 /nfs/dbraw/zinc/99/28/92/1097992892.db2.gz IPKHGGLXTIZVOB-ZDUSSCGKSA-N -1 3 327.302 2.876 20 30 EFEDHM C#CCN(C(=O)c1cc(-c2nnn[n-]2)ccc1Cl)C1CCCCC1 ZINC001609020982 1098112950 /nfs/dbraw/zinc/11/29/50/1098112950.db2.gz WBZWRKHILUKTMQ-UHFFFAOYSA-N -1 3 343.818 2.928 20 30 EFEDHM C#CCN(C(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C1CCCCC1 ZINC001609020982 1098112953 /nfs/dbraw/zinc/11/29/53/1098112953.db2.gz WBZWRKHILUKTMQ-UHFFFAOYSA-N -1 3 343.818 2.928 20 30 EFEDHM C#C[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609018752 1098113331 /nfs/dbraw/zinc/11/33/31/1098113331.db2.gz FSYDBTDEFQDUGZ-GFCCVEGCSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609018752 1098113332 /nfs/dbraw/zinc/11/33/32/1098113332.db2.gz FSYDBTDEFQDUGZ-GFCCVEGCSA-N -1 3 348.366 2.802 20 30 EFEDHM C#CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609021716 1098114475 /nfs/dbraw/zinc/11/44/75/1098114475.db2.gz XGOIPCOSZPBLAV-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM C#CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609021716 1098114480 /nfs/dbraw/zinc/11/44/80/1098114480.db2.gz XGOIPCOSZPBLAV-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC001609022029 1098114719 /nfs/dbraw/zinc/11/47/19/1098114719.db2.gz RHLLVXIDYRIKND-UHFFFAOYSA-N -1 3 337.770 2.778 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC001609022029 1098114721 /nfs/dbraw/zinc/11/47/21/1098114721.db2.gz RHLLVXIDYRIKND-UHFFFAOYSA-N -1 3 337.770 2.778 20 30 EFEDHM C=C(C)CN(CC)C(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001609051296 1098122003 /nfs/dbraw/zinc/12/20/03/1098122003.db2.gz VEILDYIAEISIHY-UHFFFAOYSA-N -1 3 338.371 2.560 20 30 EFEDHM C=C(C)CN(CC)C(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001609051296 1098122005 /nfs/dbraw/zinc/12/20/05/1098122005.db2.gz VEILDYIAEISIHY-UHFFFAOYSA-N -1 3 338.371 2.560 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001609053880 1098122803 /nfs/dbraw/zinc/12/28/03/1098122803.db2.gz SKXNONIDNTYSGK-UHFFFAOYSA-N -1 3 329.379 2.759 20 30 EFEDHM C=CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001609053880 1098122808 /nfs/dbraw/zinc/12/28/08/1098122808.db2.gz SKXNONIDNTYSGK-UHFFFAOYSA-N -1 3 329.379 2.759 20 30 EFEDHM C=CC[C@@H]1N(C(=O)c2ccc(-c3nnn[n-]3)c(C)n2)CCCC1(C)C ZINC001609053144 1098123597 /nfs/dbraw/zinc/12/35/97/1098123597.db2.gz FGFGPLRBDSQFAC-HNNXBMFYSA-N -1 3 340.431 2.777 20 30 EFEDHM C=CC[C@@H]1N(C(=O)c2ccc(-c3nn[n-]n3)c(C)n2)CCCC1(C)C ZINC001609053144 1098123601 /nfs/dbraw/zinc/12/36/01/1098123601.db2.gz FGFGPLRBDSQFAC-HNNXBMFYSA-N -1 3 340.431 2.777 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CSC(C)(C)C ZINC001609056557 1098124102 /nfs/dbraw/zinc/12/41/02/1098124102.db2.gz PSQMWDKLKAZLGL-UHFFFAOYSA-N -1 3 345.472 2.913 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CSC(C)(C)C ZINC001609056557 1098124104 /nfs/dbraw/zinc/12/41/04/1098124104.db2.gz PSQMWDKLKAZLGL-UHFFFAOYSA-N -1 3 345.472 2.913 20 30 EFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609055756 1098124576 /nfs/dbraw/zinc/12/45/76/1098124576.db2.gz UHNMRNARGWJRSB-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609055756 1098124582 /nfs/dbraw/zinc/12/45/82/1098124582.db2.gz UHNMRNARGWJRSB-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCCCN(C)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609055359 1098124761 /nfs/dbraw/zinc/12/47/61/1098124761.db2.gz XPXCHQWODISGDS-MRXNPFEDSA-N -1 3 340.431 2.852 20 30 EFEDHM C=CCCCN(C)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609055359 1098124763 /nfs/dbraw/zinc/12/47/63/1098124763.db2.gz XPXCHQWODISGDS-MRXNPFEDSA-N -1 3 340.431 2.852 20 30 EFEDHM C=CCOc1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001609059053 1098125718 /nfs/dbraw/zinc/12/57/18/1098125718.db2.gz NCKODFDBZBUQPH-UHFFFAOYSA-N -1 3 335.367 2.992 20 30 EFEDHM C=CCOc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001609059053 1098125722 /nfs/dbraw/zinc/12/57/22/1098125722.db2.gz NCKODFDBZBUQPH-UHFFFAOYSA-N -1 3 335.367 2.992 20 30 EFEDHM C=CCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001609058627 1098126433 /nfs/dbraw/zinc/12/64/33/1098126433.db2.gz KVXAOYORGZAWOY-UHFFFAOYSA-N -1 3 336.355 2.967 20 30 EFEDHM C=CCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001609058627 1098126435 /nfs/dbraw/zinc/12/64/35/1098126435.db2.gz KVXAOYORGZAWOY-UHFFFAOYSA-N -1 3 336.355 2.967 20 30 EFEDHM C=CCOc1ccccc1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609058951 1098126442 /nfs/dbraw/zinc/12/64/42/1098126442.db2.gz GKKOMNMPYZDHIB-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCOc1ccccc1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609058951 1098126446 /nfs/dbraw/zinc/12/64/46/1098126446.db2.gz GKKOMNMPYZDHIB-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001609067335 1098128922 /nfs/dbraw/zinc/12/89/22/1098128922.db2.gz IAPGAJYNAFNVAS-NSHDSACASA-N -1 3 334.339 2.757 20 30 EFEDHM C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001609067335 1098128929 /nfs/dbraw/zinc/12/89/29/1098128929.db2.gz IAPGAJYNAFNVAS-NSHDSACASA-N -1 3 334.339 2.757 20 30 EFEDHM C[C@@H](C#N)OCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609068580 1098130778 /nfs/dbraw/zinc/13/07/78/1098130778.db2.gz SVEFSFFFUPKMOG-QMMMGPOBSA-N -1 3 343.334 2.906 20 30 EFEDHM C[C@@H](C#N)OCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609068580 1098130779 /nfs/dbraw/zinc/13/07/79/1098130779.db2.gz SVEFSFFFUPKMOG-QMMMGPOBSA-N -1 3 343.334 2.906 20 30 EFEDHM C[C@H](C#N)OCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609068579 1098131282 /nfs/dbraw/zinc/13/12/82/1098131282.db2.gz SVEFSFFFUPKMOG-MRVPVSSYSA-N -1 3 343.334 2.906 20 30 EFEDHM C[C@H](C#N)OCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609068579 1098131286 /nfs/dbraw/zinc/13/12/86/1098131286.db2.gz SVEFSFFFUPKMOG-MRVPVSSYSA-N -1 3 343.334 2.906 20 30 EFEDHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609074796 1098132000 /nfs/dbraw/zinc/13/20/00/1098132000.db2.gz ALASOBAPMNKGBN-BBRMVZONSA-N -1 3 340.431 2.992 20 30 EFEDHM CC(C)(C)[C@H]1OCCC[C@H]1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609074796 1098132003 /nfs/dbraw/zinc/13/20/03/1098132003.db2.gz ALASOBAPMNKGBN-BBRMVZONSA-N -1 3 340.431 2.992 20 30 EFEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001609081934 1098135625 /nfs/dbraw/zinc/13/56/25/1098135625.db2.gz WLDSNETXRGNKDT-WTKPLQERSA-N -1 3 334.383 2.850 20 30 EFEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001609081934 1098135628 /nfs/dbraw/zinc/13/56/28/1098135628.db2.gz WLDSNETXRGNKDT-WTKPLQERSA-N -1 3 334.383 2.850 20 30 EFEDHM CC(C)c1nc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cs1 ZINC001609106094 1098148343 /nfs/dbraw/zinc/14/83/43/1098148343.db2.gz KVRSOXBSOWUYDL-UHFFFAOYSA-N -1 3 348.823 2.941 20 30 EFEDHM C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609121254 1098155210 /nfs/dbraw/zinc/15/52/10/1098155210.db2.gz MJNBECGBTAHDDK-LBPRGKRZSA-N -1 3 347.382 2.815 20 30 EFEDHM C[C@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609121254 1098155214 /nfs/dbraw/zinc/15/52/14/1098155214.db2.gz MJNBECGBTAHDDK-LBPRGKRZSA-N -1 3 347.382 2.815 20 30 EFEDHM C[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC001609126414 1098158064 /nfs/dbraw/zinc/15/80/64/1098158064.db2.gz RKYGWYSGXQJFMD-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609130376 1098159856 /nfs/dbraw/zinc/15/98/56/1098159856.db2.gz POXDFBIULIDBAJ-KZULUSFZSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@@H](OC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609130376 1098159859 /nfs/dbraw/zinc/15/98/59/1098159859.db2.gz POXDFBIULIDBAJ-KZULUSFZSA-N -1 3 337.383 2.945 20 30 EFEDHM CC1(C)CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@H]1C#N ZINC001609145620 1098168348 /nfs/dbraw/zinc/16/83/48/1098168348.db2.gz UWNAFPGTVDZLRV-ZDUSSCGKSA-N -1 3 344.806 2.674 20 30 EFEDHM CC1(C)CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@H]1C#N ZINC001609145620 1098168349 /nfs/dbraw/zinc/16/83/49/1098168349.db2.gz UWNAFPGTVDZLRV-ZDUSSCGKSA-N -1 3 344.806 2.674 20 30 EFEDHM C[C@H]1C[C@H](c2cccnc2)N(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001609159621 1098174605 /nfs/dbraw/zinc/17/46/05/1098174605.db2.gz QNQOROIWYJOYMQ-BLLLJJGKSA-N -1 3 331.383 2.721 20 30 EFEDHM C[C@H]1C[C@H](c2cccnc2)N(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001609159621 1098174609 /nfs/dbraw/zinc/17/46/09/1098174609.db2.gz QNQOROIWYJOYMQ-BLLLJJGKSA-N -1 3 331.383 2.721 20 30 EFEDHM C#CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC001609167655 1098181860 /nfs/dbraw/zinc/18/18/60/1098181860.db2.gz PROKVHABPFHLTL-GOSISDBHSA-N -1 3 325.364 2.623 20 30 EFEDHM CCCC[C@H](ON=C(C)C)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC001609207988 1098201777 /nfs/dbraw/zinc/20/17/77/1098201777.db2.gz BELHBEBQFBEINH-HNNXBMFYSA-N -1 3 345.403 2.881 20 30 EFEDHM CCCC[C@H](ON=C(C)C)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC001609207988 1098201782 /nfs/dbraw/zinc/20/17/82/1098201782.db2.gz BELHBEBQFBEINH-HNNXBMFYSA-N -1 3 345.403 2.881 20 30 EFEDHM CCc1ccc(C#CC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC001609251876 1098225196 /nfs/dbraw/zinc/22/51/96/1098225196.db2.gz BPFYJRSFTZTWFQ-UHFFFAOYSA-N -1 3 331.379 2.728 20 30 EFEDHM CCc1ccc(C#CC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC001609251876 1098225200 /nfs/dbraw/zinc/22/52/00/1098225200.db2.gz BPFYJRSFTZTWFQ-UHFFFAOYSA-N -1 3 331.379 2.728 20 30 EFEDHM CN(C(=S)Nc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001609263035 1098231531 /nfs/dbraw/zinc/23/15/31/1098231531.db2.gz NMPAQGKBAAZQKU-UHFFFAOYSA-N -1 3 335.396 2.572 20 30 EFEDHM CN(C(=S)Nc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001609263035 1098231535 /nfs/dbraw/zinc/23/15/35/1098231535.db2.gz NMPAQGKBAAZQKU-UHFFFAOYSA-N -1 3 335.396 2.572 20 30 EFEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC001609262865 1098231699 /nfs/dbraw/zinc/23/16/99/1098231699.db2.gz YUIOBCOQJBMLSB-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC001609262865 1098231704 /nfs/dbraw/zinc/23/17/04/1098231704.db2.gz YUIOBCOQJBMLSB-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM COc1cc(C=CC(=O)c2cnn(C(C)C)c2)ccc1-c1nnn[n-]1 ZINC001609341535 1098255158 /nfs/dbraw/zinc/25/51/58/1098255158.db2.gz WJVGLVGUQJPGML-FNORWQNLSA-N -1 3 338.371 2.549 20 30 EFEDHM COc1cc(C=CC(=O)c2cnn(C(C)C)c2)ccc1-c1nn[n-]n1 ZINC001609341535 1098255164 /nfs/dbraw/zinc/25/51/64/1098255164.db2.gz WJVGLVGUQJPGML-FNORWQNLSA-N -1 3 338.371 2.549 20 30 EFEDHM COc1cc(CNc2cc(C(C)=O)ccc2-c2nnn[n-]2)ccc1C#N ZINC001609345667 1098258430 /nfs/dbraw/zinc/25/84/30/1098258430.db2.gz SSVYHZZGNOQERN-UHFFFAOYSA-N -1 3 348.366 2.562 20 30 EFEDHM COc1cc(CNc2cc(C(C)=O)ccc2-c2nn[n-]n2)ccc1C#N ZINC001609345667 1098258434 /nfs/dbraw/zinc/25/84/34/1098258434.db2.gz SSVYHZZGNOQERN-UHFFFAOYSA-N -1 3 348.366 2.562 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC001609352252 1098261343 /nfs/dbraw/zinc/26/13/43/1098261343.db2.gz TUVOAVNUQGZILN-YHYXMXQVSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC001609352252 1098261349 /nfs/dbraw/zinc/26/13/49/1098261349.db2.gz TUVOAVNUQGZILN-YHYXMXQVSA-N -1 3 336.351 2.780 20 30 EFEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCC(C)(C)CC#N)c2c1 ZINC001609397503 1098287266 /nfs/dbraw/zinc/28/72/66/1098287266.db2.gz DXXUNPJNTLANJT-UHFFFAOYSA-N -1 3 335.415 2.805 20 30 EFEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCC(C)(C)CC#N)c2c1 ZINC001609397503 1098287271 /nfs/dbraw/zinc/28/72/71/1098287271.db2.gz DXXUNPJNTLANJT-UHFFFAOYSA-N -1 3 335.415 2.805 20 30 EFEDHM Cc1cc(OC(=O)c2ccc(C#N)s2)c(C)c(C)c1-c1nn[n-]n1 ZINC001609411064 1098298549 /nfs/dbraw/zinc/29/85/49/1098298549.db2.gz NCRNYEWMESKHBX-UHFFFAOYSA-N -1 3 339.380 2.944 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001609417527 1098303292 /nfs/dbraw/zinc/30/32/92/1098303292.db2.gz XRWANLVMYOQSRV-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001609417527 1098303299 /nfs/dbraw/zinc/30/32/99/1098303299.db2.gz XRWANLVMYOQSRV-UHFFFAOYSA-N -1 3 332.367 2.618 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609417259 1098303374 /nfs/dbraw/zinc/30/33/74/1098303374.db2.gz CKDRXEJVCJILFM-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609417259 1098303379 /nfs/dbraw/zinc/30/33/79/1098303379.db2.gz CKDRXEJVCJILFM-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001609425334 1098311916 /nfs/dbraw/zinc/31/19/16/1098311916.db2.gz KODSFRUSAUHNIV-MRXNPFEDSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1ccc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001609425334 1098311919 /nfs/dbraw/zinc/31/19/19/1098311919.db2.gz KODSFRUSAUHNIV-MRXNPFEDSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1ccc(O[C@H](C)CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001609426988 1098313183 /nfs/dbraw/zinc/31/31/83/1098313183.db2.gz DCHDTBGIXYHULZ-CYBMUJFWSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1ccc(O[C@H](C)CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001609426988 1098313189 /nfs/dbraw/zinc/31/31/89/1098313189.db2.gz DCHDTBGIXYHULZ-CYBMUJFWSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@@](C)(C#N)C3)c2c1 ZINC001609429641 1098315140 /nfs/dbraw/zinc/31/51/40/1098315140.db2.gz SQZMQJRLWAWASU-SFHVURJKSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@@](C)(C#N)C3)c2c1 ZINC001609429641 1098315145 /nfs/dbraw/zinc/31/51/45/1098315145.db2.gz SQZMQJRLWAWASU-SFHVURJKSA-N -1 3 333.399 2.853 20 30 EFEDHM Cc1ccc2ncc(C#N)c(NCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC001609429815 1098316199 /nfs/dbraw/zinc/31/61/99/1098316199.db2.gz DNMNKZSSKSXBKE-UHFFFAOYSA-N -1 3 341.378 2.629 20 30 EFEDHM Cc1ccc2ncc(C#N)c(NCc3ccc(-c4nn[n-]n4)cc3)c2c1 ZINC001609429815 1098316203 /nfs/dbraw/zinc/31/62/03/1098316203.db2.gz DNMNKZSSKSXBKE-UHFFFAOYSA-N -1 3 341.378 2.629 20 30 EFEDHM Cc1ccccc1OCCN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001609437084 1098321802 /nfs/dbraw/zinc/32/18/02/1098321802.db2.gz JCNVIJSUSUYJHH-UHFFFAOYSA-N -1 3 334.383 2.562 20 30 EFEDHM Cc1ccccc1OCCN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001609437084 1098321808 /nfs/dbraw/zinc/32/18/08/1098321808.db2.gz JCNVIJSUSUYJHH-UHFFFAOYSA-N -1 3 334.383 2.562 20 30 EFEDHM Cc1nc(N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001609451954 1098330731 /nfs/dbraw/zinc/33/07/31/1098330731.db2.gz VVGCNGFSSJIPNH-DLBZAZTESA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1nc(N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001609451954 1098330738 /nfs/dbraw/zinc/33/07/38/1098330738.db2.gz VVGCNGFSSJIPNH-DLBZAZTESA-N -1 3 345.410 2.846 20 30 EFEDHM Cc1nc(NCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)cc1C#N ZINC001609453457 1098332840 /nfs/dbraw/zinc/33/28/40/1098332840.db2.gz DECAQJLGMVKMFX-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cc1nc(NCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)cc1C#N ZINC001609453457 1098332843 /nfs/dbraw/zinc/33/28/43/1098332843.db2.gz DECAQJLGMVKMFX-UHFFFAOYSA-N -1 3 343.753 2.846 20 30 EFEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c2cc(F)ccc21 ZINC001609478525 1098350273 /nfs/dbraw/zinc/35/02/73/1098350273.db2.gz GTABOWKDRBPIBX-UHFFFAOYSA-N -1 3 335.346 2.944 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)cc1[N+](=O)[O-] ZINC001609499163 1098362224 /nfs/dbraw/zinc/36/22/24/1098362224.db2.gz UNPXKSMWUWDWRQ-HNNXBMFYSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)cc1[N+](=O)[O-] ZINC001609499163 1098362231 /nfs/dbraw/zinc/36/22/31/1098362231.db2.gz UNPXKSMWUWDWRQ-HNNXBMFYSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc2c(c1)CCCN2CCOc1ccc(-c2nn[n-]n2)cc1 ZINC001609499272 1098362600 /nfs/dbraw/zinc/36/26/00/1098362600.db2.gz FNXLZRUPTQHIIP-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cn2)ccc1C(F)(F)F ZINC001609498014 1098362713 /nfs/dbraw/zinc/36/27/13/1098362713.db2.gz WYNIBNZWUGJUMJ-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cn2)ccc1C(F)(F)F ZINC001609498014 1098362718 /nfs/dbraw/zinc/36/27/18/1098362718.db2.gz WYNIBNZWUGJUMJ-UHFFFAOYSA-N -1 3 345.288 2.764 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1nc(-c2ccccc2)c[nH]1 ZINC001609500030 1098363255 /nfs/dbraw/zinc/36/32/55/1098363255.db2.gz VXUPOTTUQXAANG-UHFFFAOYSA-N -1 3 342.366 2.741 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1nc(-c2ccccc2)c[nH]1 ZINC001609500030 1098363260 /nfs/dbraw/zinc/36/32/60/1098363260.db2.gz VXUPOTTUQXAANG-UHFFFAOYSA-N -1 3 342.366 2.741 20 30 EFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccccc1[O-] ZINC001269683067 1098363350 /nfs/dbraw/zinc/36/33/50/1098363350.db2.gz YPOLKZMKQCGYOD-IBGZPJMESA-N -1 3 328.412 2.566 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCN(c2ccccc2F)C1 ZINC001609499665 1098363690 /nfs/dbraw/zinc/36/36/90/1098363690.db2.gz DAVVVCYRKFGSEN-CYBMUJFWSA-N -1 3 349.373 2.568 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCN(c2ccccc2F)C1 ZINC001609499665 1098363697 /nfs/dbraw/zinc/36/36/97/1098363697.db2.gz DAVVVCYRKFGSEN-CYBMUJFWSA-N -1 3 349.373 2.568 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001609499681 1098363910 /nfs/dbraw/zinc/36/39/10/1098363910.db2.gz DWBMULTZEXKOFA-BRWVUGGUSA-N -1 3 328.379 2.736 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001609499681 1098363914 /nfs/dbraw/zinc/36/39/14/1098363914.db2.gz DWBMULTZEXKOFA-BRWVUGGUSA-N -1 3 328.379 2.736 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccc2[nH]ccc2c1 ZINC001609499924 1098364142 /nfs/dbraw/zinc/36/41/42/1098364142.db2.gz POFCKICQZADDKK-UHFFFAOYSA-N -1 3 329.367 2.874 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1ccc2[nH]ccc2c1 ZINC001609499924 1098364149 /nfs/dbraw/zinc/36/41/49/1098364149.db2.gz POFCKICQZADDKK-UHFFFAOYSA-N -1 3 329.367 2.874 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1cccc2cccnc21 ZINC001609499846 1098364409 /nfs/dbraw/zinc/36/44/09/1098364409.db2.gz MLWDHGNLPPGCEL-UHFFFAOYSA-N -1 3 327.351 2.899 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1cccc2cccnc21 ZINC001609499846 1098364417 /nfs/dbraw/zinc/36/44/17/1098364417.db2.gz MLWDHGNLPPGCEL-UHFFFAOYSA-N -1 3 327.351 2.899 20 30 EFEDHM N#Cc1sc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)nc1Cl ZINC001609501589 1098364617 /nfs/dbraw/zinc/36/46/17/1098364617.db2.gz YFNYSSDJUHAJRR-SNVBAGLBSA-N -1 3 343.803 2.948 20 30 EFEDHM N#Cc1sc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)nc1Cl ZINC001609501589 1098364620 /nfs/dbraw/zinc/36/46/20/1098364620.db2.gz YFNYSSDJUHAJRR-SNVBAGLBSA-N -1 3 343.803 2.948 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc(-c2nnco2)cc1 ZINC001609499926 1098364724 /nfs/dbraw/zinc/36/47/24/1098364724.db2.gz PUDNWLHMIBJOKH-UHFFFAOYSA-N -1 3 331.295 2.581 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc(-c2nnco2)cc1 ZINC001609499926 1098364728 /nfs/dbraw/zinc/36/47/28/1098364728.db2.gz PUDNWLHMIBJOKH-UHFFFAOYSA-N -1 3 331.295 2.581 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC001609518016 1098365625 /nfs/dbraw/zinc/36/56/25/1098365625.db2.gz YTJJBLIHSGMSJE-FPYGCLRLSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC001609518016 1098365634 /nfs/dbraw/zinc/36/56/34/1098365634.db2.gz YTJJBLIHSGMSJE-FPYGCLRLSA-N -1 3 339.286 2.810 20 30 EFEDHM COC(=O)c1cccc([C@H](N[C@H](C)c2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001610219905 1098577613 /nfs/dbraw/zinc/57/76/13/1098577613.db2.gz XOVJPKSOJANAKI-PXAZEXFGSA-N -1 3 338.363 2.821 20 30 EFEDHM Cc1sc(C(=O)[O-])cc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC001610589866 1098770596 /nfs/dbraw/zinc/77/05/96/1098770596.db2.gz PJGTVTZUMUKAML-HNNXBMFYSA-N -1 3 330.409 2.792 20 30 EFEDHM O=C([O-])[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001610804482 1098899337 /nfs/dbraw/zinc/89/93/37/1098899337.db2.gz SJXFEOMJKCIVJN-ZDUSSCGKSA-N -1 3 327.302 2.733 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001643002140 1101263077 /nfs/dbraw/zinc/26/30/77/1101263077.db2.gz ZZKXUISXAYOENV-OAHLLOKOSA-N -1 3 335.342 2.776 20 30 EFEDHM CC(C)N(CCN(C)c1ncccc1C#N)C(=O)c1ccccc1[O-] ZINC001125445115 1101375610 /nfs/dbraw/zinc/37/56/10/1101375610.db2.gz OAXBMXPOMQCVPB-UHFFFAOYSA-N -1 3 338.411 2.646 20 30 EFEDHM CC1=C(Oc2cccc([O-])c2I)C(=O)[C@H](C)O1 ZINC001227379388 1101469793 /nfs/dbraw/zinc/46/97/93/1101469793.db2.gz GIIKPFSEGFZOKP-LURJTMIESA-N -1 3 346.120 2.595 20 30 EFEDHM CCOC(=O)Nc1ccc(C([O-])=C(C#N)c2nccn2CC)cc1 ZINC001649249556 1101681743 /nfs/dbraw/zinc/68/17/43/1101681743.db2.gz RJCLLDXROSWWGN-AWEZNQCLSA-N -1 3 326.356 2.961 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1sc([C@H]2CCOC2)nc1C ZINC001649251430 1102263661 /nfs/dbraw/zinc/26/36/61/1102263661.db2.gz XRFFLEZPDROXHB-RYUDHWBXSA-N -1 3 330.413 2.662 20 30 EFEDHM C=CCCC(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104374181 1102423101 /nfs/dbraw/zinc/42/31/01/1102423101.db2.gz NMCONSOPNFSEIW-UHFFFAOYSA-N -1 3 334.376 2.503 20 30 EFEDHM CCCCCCCS(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000799775580 1102651635 /nfs/dbraw/zinc/65/16/35/1102651635.db2.gz IVQRCOLQACISSO-CQSZACIVSA-N -1 3 335.416 2.888 20 30 EFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1CC#Cc1ccccc1 ZINC001088471319 1103829336 /nfs/dbraw/zinc/82/93/36/1103829336.db2.gz FVNBSHZPVDQANT-APWZRJJASA-N -1 3 334.419 2.637 20 30 EFEDHM C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])CC1 ZINC000897757146 1106073870 /nfs/dbraw/zinc/07/38/70/1106073870.db2.gz WTQBLMBTKJOMNT-OLZOCXBDSA-N -1 3 331.416 2.613 20 30 EFEDHM C=C1CCC(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])CC1 ZINC000897757147 1106074002 /nfs/dbraw/zinc/07/40/02/1106074002.db2.gz WTQBLMBTKJOMNT-QWHCGFSZSA-N -1 3 331.416 2.613 20 30 EFEDHM N#Cc1ccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142520635 1106109568 /nfs/dbraw/zinc/10/95/68/1106109568.db2.gz MUDAJQBDWJYCLO-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc(Cl)ccc1F ZINC001414236369 1106220238 /nfs/dbraw/zinc/22/02/38/1106220238.db2.gz DDDKJAXBTPUJDV-SECBINFHSA-N -1 3 339.779 2.785 20 30 EFEDHM C=CCCCN1CC(OC2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC001105687089 1106895925 /nfs/dbraw/zinc/89/59/25/1106895925.db2.gz BHXSOZYQPSCTJW-UHFFFAOYSA-N -1 3 344.455 2.664 20 30 EFEDHM CN(C)c1ccc(C#N)cc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000904007920 1107517277 /nfs/dbraw/zinc/51/72/77/1107517277.db2.gz WNAIEKUCQXIQGM-AWEZNQCLSA-N -1 3 329.425 2.991 20 30 EFEDHM CC(C)C[C@@H](C(N)=O)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904181275 1107675160 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EFEDHM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443077230 250158440 /nfs/dbraw/zinc/15/84/40/250158440.db2.gz ZXOQTMIISCNTSU-MRXNPFEDSA-N -1 3 332.400 2.997 20 30 EFEDHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443082575 250159049 /nfs/dbraw/zinc/15/90/49/250159049.db2.gz AMBZMFQKDMMKDQ-LBPRGKRZSA-N -1 3 339.417 2.961 20 30 EFEDHM CN(CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccccc1 ZINC000443093599 250159947 /nfs/dbraw/zinc/15/99/47/250159947.db2.gz MZDGKPNAFXLETM-UHFFFAOYSA-N -1 3 349.843 2.626 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccs1 ZINC000443097700 250160356 /nfs/dbraw/zinc/16/03/56/250160356.db2.gz LRNKTRKDSNYVPP-UHFFFAOYSA-N -1 3 326.830 2.794 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccc(F)c1 ZINC000443094011 250160443 /nfs/dbraw/zinc/16/04/43/250160443.db2.gz NRWJKZKGSKAMBN-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1cccs1 ZINC000443098343 250160662 /nfs/dbraw/zinc/16/06/62/250160662.db2.gz 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ZINC000445340363 250404633 /nfs/dbraw/zinc/40/46/33/250404633.db2.gz IDLIEGKOAWFFDQ-UHFFFAOYSA-N -1 3 349.390 2.878 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000174311936 207009676 /nfs/dbraw/zinc/00/96/76/207009676.db2.gz ZLLKSEMWORERIY-PBHICJAKSA-N -1 3 327.428 2.587 20 30 EFEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000174736871 207053028 /nfs/dbraw/zinc/05/30/28/207053028.db2.gz VCRSOHWVBBPVOE-AWEZNQCLSA-N -1 3 337.445 2.691 20 30 EFEDHM COC(=O)Nc1ccc(C(=O)OCc2cc(F)ccc2C#N)cc1[O-] ZINC000493628296 269702215 /nfs/dbraw/zinc/70/22/15/269702215.db2.gz GTXJKEIQCSZXFG-UHFFFAOYSA-N -1 3 344.298 2.938 20 30 EFEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)CCOC(C)C ZINC000176470924 207230511 /nfs/dbraw/zinc/23/05/11/207230511.db2.gz OOKPYJIAEZQUEX-UHFFFAOYSA-N -1 3 325.434 2.547 20 30 EFEDHM CCc1cc(=O)[n-]c(CSCCOc2ccc(C#N)cc2OC)n1 ZINC000268545349 252011064 /nfs/dbraw/zinc/01/10/64/252011064.db2.gz ASTATDROABTCRZ-UHFFFAOYSA-N -1 3 345.424 2.937 20 30 EFEDHM C=CCC[C@H](CO)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000454340209 252225593 /nfs/dbraw/zinc/22/55/93/252225593.db2.gz NETSASJLNJPBRE-OAHLLOKOSA-N -1 3 342.399 2.606 20 30 EFEDHM COc1cc(OC)cc(N2CC[C@@H](/N=C/c3ccccc3[O-])C2=O)c1 ZINC000175066478 533071683 /nfs/dbraw/zinc/07/16/83/533071683.db2.gz PFZGKQMRUNFZEQ-XNHPLOEXSA-N -1 3 340.379 2.634 20 30 EFEDHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1cccnc1C#N ZINC000408372473 292016276 /nfs/dbraw/zinc/01/62/76/292016276.db2.gz CFMGRZPKFZKAFV-ZDUSSCGKSA-N -1 3 345.424 2.847 20 30 EFEDHM N#Cc1ccc(N2CCC[C@H](NCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000263375724 141388708 /nfs/dbraw/zinc/38/87/08/141388708.db2.gz ALMMULOWKJPHFH-SFHVURJKSA-N -1 3 349.390 2.542 20 30 EFEDHM CC1(CC[N-]S(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000344762318 142074632 /nfs/dbraw/zinc/07/46/32/142074632.db2.gz DQFPFGMMNWYHKQ-UHFFFAOYSA-N -1 3 343.246 2.789 20 30 EFEDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000344919613 142097411 /nfs/dbraw/zinc/09/74/11/142097411.db2.gz OPGGIITWXQEJGW-UHFFFAOYSA-N -1 3 344.864 2.943 20 30 EFEDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000344952887 142102525 /nfs/dbraw/zinc/10/25/25/142102525.db2.gz RPLMOYHRROIPLD-UHFFFAOYSA-N -1 3 344.864 2.943 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c1 ZINC000344956428 142102994 /nfs/dbraw/zinc/10/29/94/142102994.db2.gz PJCFFGBBGNPFMO-UHFFFAOYSA-N -1 3 338.738 2.831 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1C(=O)NCc1cnc(C)[n-]c1=O ZINC000346355423 142193854 /nfs/dbraw/zinc/19/38/54/142193854.db2.gz WDUUMOBMGMOSGT-UHFFFAOYSA-N -1 3 338.392 2.815 20 30 EFEDHM CC1(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCCC1 ZINC000349875307 142371642 /nfs/dbraw/zinc/37/16/42/142371642.db2.gz GNGJHMQADXGJEQ-UHFFFAOYSA-N -1 3 337.401 2.715 20 30 EFEDHM N#Cc1cccc(C2([N-]S(=O)(=O)c3cc(F)ccc3F)CC2)c1 ZINC000341142294 145000279 /nfs/dbraw/zinc/00/02/79/145000279.db2.gz XCYKXXNHPZNGQL-UHFFFAOYSA-N -1 3 334.347 2.804 20 30 EFEDHM Cc1ccccc1-c1cc(=NC(=O)CNc2cccc(C#N)c2)[nH][n-]1 ZINC000342146656 145070995 /nfs/dbraw/zinc/07/09/95/145070995.db2.gz DTRSBTLESPIZGR-UHFFFAOYSA-N -1 3 331.379 2.729 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000342461248 145131135 /nfs/dbraw/zinc/13/11/35/145131135.db2.gz JSSGDJVAHODLQP-UHFFFAOYSA-N -1 3 340.364 2.843 20 30 EFEDHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000343907506 145321847 /nfs/dbraw/zinc/32/18/47/145321847.db2.gz AHANKGWORLVNIN-NEPJUHHUSA-N -1 3 342.848 2.695 20 30 EFEDHM CS[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)C(C)(C)C ZINC000343975899 145336876 /nfs/dbraw/zinc/33/68/76/145336876.db2.gz HOLOIRVDOHRSTI-ZDUSSCGKSA-N -1 3 330.450 2.753 20 30 EFEDHM COc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1O ZINC000352910432 146347355 /nfs/dbraw/zinc/34/73/55/146347355.db2.gz KTLAGICRNBSDMN-UHFFFAOYSA-N -1 3 341.367 2.561 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cncc(F)c1 ZINC000359208487 148023567 /nfs/dbraw/zinc/02/35/67/148023567.db2.gz TYRKYEMNFQMUSO-SECBINFHSA-N -1 3 339.779 2.785 20 30 EFEDHM Cc1ccc2[n-]cc(C(=O)N(C)Cc3ccc(C#N)cc3)c(=O)c2c1 ZINC000359430878 148083006 /nfs/dbraw/zinc/08/30/06/148083006.db2.gz VPWWEIDIQVOTCW-UHFFFAOYSA-N -1 3 331.375 2.980 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)c(F)c1 ZINC000360243870 148309627 /nfs/dbraw/zinc/30/96/27/148309627.db2.gz YCDJYULIHFJWSJ-NSHDSACASA-N -1 3 334.372 2.745 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CC(OCc3ccccc3)C2)s1 ZINC000373733967 151218332 /nfs/dbraw/zinc/21/83/32/151218332.db2.gz AHAFUDMOFQRMIX-UHFFFAOYSA-N -1 3 348.449 2.646 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)s1 ZINC000373820803 151231881 /nfs/dbraw/zinc/23/18/81/151231881.db2.gz ZRCFAUXBUAEZMJ-ZBFHGGJFSA-N -1 3 348.449 2.818 20 30 EFEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1C ZINC000135369333 544687257 /nfs/dbraw/zinc/68/72/57/544687257.db2.gz LMIOAPJOKDFPPB-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)c(OC)c2)c1 ZINC000417584405 269794693 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349.329 2.828 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccn(-c2ccc(F)cc2)n1 ZINC000053527236 472016571 /nfs/dbraw/zinc/01/65/71/472016571.db2.gz JUEMNUGGTXWWDY-UHFFFAOYSA-N -1 3 349.329 2.828 20 30 EFEDHM CCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000053528259 472016852 /nfs/dbraw/zinc/01/68/52/472016852.db2.gz XUPLCKWAFVJTLZ-UHFFFAOYSA-N -1 3 336.355 2.852 20 30 EFEDHM CCC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000053528259 472016856 /nfs/dbraw/zinc/01/68/56/472016856.db2.gz XUPLCKWAFVJTLZ-UHFFFAOYSA-N -1 3 336.355 2.852 20 30 EFEDHM CCC(=O)Nc1cccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000053528259 472016861 /nfs/dbraw/zinc/01/68/61/472016861.db2.gz XUPLCKWAFVJTLZ-UHFFFAOYSA-N -1 3 336.355 2.852 20 30 EFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000040363161 472030792 /nfs/dbraw/zinc/03/07/92/472030792.db2.gz AZUKTOQOTGFWAP-QMMMGPOBSA-N -1 3 337.626 2.683 20 30 EFEDHM CCOC(=O)c1cc(C(=O)[N-]c2sccc2C#N)cc([N+](=O)[O-])c1 ZINC000023995369 472041935 /nfs/dbraw/zinc/04/19/35/472041935.db2.gz KGAPUJLQZNDNHC-UHFFFAOYSA-N -1 3 345.336 2.957 20 30 EFEDHM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041495204 472066253 /nfs/dbraw/zinc/06/62/53/472066253.db2.gz MHLKUAGZZABBEX-JBEBIEQOSA-N -1 3 337.404 2.931 20 30 EFEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)cc(OC)c1OC ZINC000041520126 472067157 /nfs/dbraw/zinc/06/71/57/472067157.db2.gz XSCXSGIXRXTHHO-LLVKDONJSA-N -1 3 332.381 2.967 20 30 EFEDHM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1ccc(C(F)(F)F)cn1 ZINC000041552690 472068324 /nfs/dbraw/zinc/06/83/24/472068324.db2.gz OAENQNUBNBZHLR-GFCCVEGCSA-N -1 3 333.269 2.689 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2cccc(N3CCCCC3=O)c2)c1[O-] ZINC000024824868 472069484 /nfs/dbraw/zinc/06/94/84/472069484.db2.gz QHGHDHRRZWPZRY-SRZZPIQSSA-N -1 3 339.395 2.855 20 30 EFEDHM Cc1cc(N2CCN(C)CC2)ccc1/N=C/c1cccc([O-])c1O ZINC000025258548 472087093 /nfs/dbraw/zinc/08/70/93/472087093.db2.gz MKWTXXLTTXAIPZ-DEDYPNTBSA-N -1 3 325.412 2.909 20 30 EFEDHM Cn1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2ccccc21 ZINC000054726578 472111946 /nfs/dbraw/zinc/11/19/46/472111946.db2.gz JEXQROGHJDYWNX-AWEZNQCLSA-N -1 3 333.395 2.986 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(NC(=O)NC3CC3)c2)nc(C)n1 ZINC000054809049 472117686 /nfs/dbraw/zinc/11/76/86/472117686.db2.gz FKNCNRFWFOWQAH-MRXNPFEDSA-N -1 3 349.394 2.867 20 30 EFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cc(C#N)cs2)c1 ZINC000084302457 472166925 /nfs/dbraw/zinc/16/69/25/472166925.db2.gz SDVGQPYJRMIMHZ-UHFFFAOYSA-N -1 3 335.410 2.552 20 30 EFEDHM CC(=O)N[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)c1cccs1 ZINC000043751413 472259797 /nfs/dbraw/zinc/25/97/97/472259797.db2.gz CNJVCXVKXGNXAI-SSDOTTSWSA-N -1 3 347.322 2.741 20 30 EFEDHM CC(=O)N[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)c1cccs1 ZINC000043751413 472259800 /nfs/dbraw/zinc/25/98/00/472259800.db2.gz CNJVCXVKXGNXAI-SSDOTTSWSA-N -1 3 347.322 2.741 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000069355311 472328414 /nfs/dbraw/zinc/32/84/14/472328414.db2.gz ZCJSYKQNKFZIHW-ZDUSSCGKSA-N -1 3 341.411 2.919 20 30 EFEDHM C=CCN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000154149085 472394677 /nfs/dbraw/zinc/39/46/77/472394677.db2.gz CJALTIMOOMMRCY-SFHVURJKSA-N -1 3 338.407 2.898 20 30 EFEDHM CSc1nc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c2ccccn12 ZINC000076822457 472409859 /nfs/dbraw/zinc/40/98/59/472409859.db2.gz CJGCEYVUWRGTEZ-LBPRGKRZSA-N -1 3 337.408 2.953 20 30 EFEDHM N#CCCCOc1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000076936253 472427134 /nfs/dbraw/zinc/42/71/34/472427134.db2.gz MGUDEBGPJAKIOZ-INIZCTEOSA-N -1 3 338.429 2.680 20 30 EFEDHM N#CCCN(Cc1ccccn1)C(=O)Cc1ccc([O-])cc1Cl ZINC000097059258 472429920 /nfs/dbraw/zinc/42/99/20/472429920.db2.gz BJUCOTZCOJPNMM-UHFFFAOYSA-N -1 3 329.787 2.926 20 30 EFEDHM C=CCNC(=O)c1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000097699080 472503881 /nfs/dbraw/zinc/50/38/81/472503881.db2.gz BYLNGXAWECEEHD-UHFFFAOYSA-N -1 3 326.352 2.569 20 30 EFEDHM O=C(CSCc1ccccn1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000058190690 472516009 /nfs/dbraw/zinc/51/60/09/472516009.db2.gz QDAJJYNEKQBFIF-UHFFFAOYSA-N -1 3 326.385 2.783 20 30 EFEDHM O=C(CSCc1ccccn1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000058190690 472516014 /nfs/dbraw/zinc/51/60/14/472516014.db2.gz QDAJJYNEKQBFIF-UHFFFAOYSA-N -1 3 326.385 2.783 20 30 EFEDHM O=C(CSCc1ccccn1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000058190690 472516023 /nfs/dbraw/zinc/51/60/23/472516023.db2.gz QDAJJYNEKQBFIF-UHFFFAOYSA-N -1 3 326.385 2.783 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000130435510 472606655 /nfs/dbraw/zinc/60/66/55/472606655.db2.gz MBJGAQBOUKHJGT-WFASDCNBSA-N -1 3 337.401 2.654 20 30 EFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000060357691 472647353 /nfs/dbraw/zinc/64/73/53/472647353.db2.gz HQGGECQQYAAYCQ-SSDOTTSWSA-N -1 3 326.727 2.939 20 30 EFEDHM Cn1nnc2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)ccc21 ZINC000103796624 472648226 /nfs/dbraw/zinc/64/82/26/472648226.db2.gz KTQRTBQSUGOJNL-NSHDSACASA-N -1 3 345.284 2.872 20 30 EFEDHM C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)[n-]n2)cc1 ZINC000131128741 472650357 /nfs/dbraw/zinc/65/03/57/472650357.db2.gz HRLFFYYGCWWQIY-UHFFFAOYSA-N -1 3 336.351 2.838 20 30 EFEDHM C=CCNC(=O)c1ccc(NC(=O)c2cc(-c3ccco3)n[n-]2)cc1 ZINC000131128741 472650363 /nfs/dbraw/zinc/65/03/63/472650363.db2.gz HRLFFYYGCWWQIY-UHFFFAOYSA-N -1 3 336.351 2.838 20 30 EFEDHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(C)c1C#N)c1nccs1 ZINC000120420346 472685067 /nfs/dbraw/zinc/68/50/67/472685067.db2.gz ORBMFOAKSUMDAS-OAHLLOKOSA-N -1 3 335.454 2.927 20 30 EFEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nccs1 ZINC000120420622 472685790 /nfs/dbraw/zinc/68/57/90/472685790.db2.gz RFHYHZFIBFUXDO-CQSZACIVSA-N -1 3 339.417 2.758 20 30 EFEDHM C=CCn1c(=O)c2ccsc2nc1SCc1cc(=O)c([O-])co1 ZINC000072635218 472690865 /nfs/dbraw/zinc/69/08/65/472690865.db2.gz WQMXAEUTCIYGIX-UHFFFAOYSA-N -1 3 348.405 2.595 20 30 EFEDHM CC(C)(C#N)c1ccc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000104842931 472699020 /nfs/dbraw/zinc/69/90/20/472699020.db2.gz DTLNHTRFCDXXGX-UHFFFAOYSA-N -1 3 333.347 2.624 20 30 EFEDHM Cc1ccc(N2CCC[C@@H](/N=C/c3ccc(O)c([O-])c3O)C2=O)cc1 ZINC000132376759 472731667 /nfs/dbraw/zinc/73/16/67/472731667.db2.gz WRTVDQVCQMBKLI-PZUDMAOCSA-N -1 3 340.379 2.726 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000156729265 472745655 /nfs/dbraw/zinc/74/56/55/472745655.db2.gz AIVRZBRAZFKHIP-HNNXBMFYSA-N -1 3 334.347 2.802 20 30 EFEDHM Cc1cccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1[O-] ZINC000078688006 472753678 /nfs/dbraw/zinc/75/36/78/472753678.db2.gz IRGWLIRFRJZBTJ-UHFFFAOYSA-N -1 3 339.370 2.674 20 30 EFEDHM CCc1ccccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000120848854 472756751 /nfs/dbraw/zinc/75/67/51/472756751.db2.gz BREPAWFOYVBFPS-UHFFFAOYSA-N -1 3 345.380 2.507 20 30 EFEDHM CC(C)(C)OC(=O)N1CC(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000073028457 472760961 /nfs/dbraw/zinc/76/09/61/472760961.db2.gz ZRPLXJDUSKARTB-UHFFFAOYSA-N -1 3 349.313 2.669 20 30 EFEDHM CC(C)(C)OC(=O)N1CC(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000073028457 472760962 /nfs/dbraw/zinc/76/09/62/472760962.db2.gz ZRPLXJDUSKARTB-UHFFFAOYSA-N -1 3 349.313 2.669 20 30 EFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133056658 472771753 /nfs/dbraw/zinc/77/17/53/472771753.db2.gz OQONQTINAHEUTF-UHFFFAOYSA-N -1 3 344.390 2.507 20 30 EFEDHM COc1ccccc1-c1nc(NC(=O)CNC(=O)OC(C)(C)C)n[n-]1 ZINC000063466822 472778609 /nfs/dbraw/zinc/77/86/09/472778609.db2.gz PGYHXBSDBREOGL-UHFFFAOYSA-N -1 3 347.375 2.593 20 30 EFEDHM CC(=O)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000078956487 472794952 /nfs/dbraw/zinc/79/49/52/472794952.db2.gz XAQFNZDVLMUENE-UHFFFAOYSA-N -1 3 337.379 2.637 20 30 EFEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(C)nc2)C1=O ZINC000121128403 472803361 /nfs/dbraw/zinc/80/33/61/472803361.db2.gz DNTOVNZBITYJEA-SFHVURJKSA-N -1 3 346.431 2.706 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000063961325 472828187 /nfs/dbraw/zinc/82/81/87/472828187.db2.gz OMROINJNAWKCRU-UHFFFAOYSA-N -1 3 334.379 2.615 20 30 EFEDHM CCc1cc(C#N)c([N-]C(=O)c2c(C)oc3ncn(C)c(=O)c32)s1 ZINC000079263304 472838414 /nfs/dbraw/zinc/83/84/14/472838414.db2.gz ZGFUDABRXIOWCB-UHFFFAOYSA-N -1 3 342.380 2.583 20 30 EFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000064345115 472844916 /nfs/dbraw/zinc/84/49/16/472844916.db2.gz GXXCGQKKYRAMEI-SSDOTTSWSA-N -1 3 326.727 2.939 20 30 EFEDHM CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nccs1 ZINC000157661004 472845495 /nfs/dbraw/zinc/84/54/95/472845495.db2.gz KNKKNSBRMNDEML-UHFFFAOYSA-N -1 3 341.845 2.882 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000157685248 472848284 /nfs/dbraw/zinc/84/82/84/472848284.db2.gz LXWZAXRCDWMVGS-JTQLQIEISA-N -1 3 339.438 2.931 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000121555936 472871679 /nfs/dbraw/zinc/87/16/79/472871679.db2.gz UNZKMNGEHKWKMJ-KRWDZBQOSA-N -1 3 349.434 2.812 20 30 EFEDHM COC[C@](C)(C#N)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000092602415 472944590 /nfs/dbraw/zinc/94/45/90/472944590.db2.gz OAHRPNPZGHIVBP-IBGZPJMESA-N -1 3 340.379 2.630 20 30 EFEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2csc([C@H]3CCCO3)n2)n1 ZINC000121940831 472949534 /nfs/dbraw/zinc/94/95/34/472949534.db2.gz FRIINXAQSJIKEQ-GFCCVEGCSA-N -1 3 331.401 2.896 20 30 EFEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC000122238342 472991328 /nfs/dbraw/zinc/99/13/28/472991328.db2.gz RBPBIOLIUYVOJN-TZMCWYRMSA-N -1 3 349.412 2.714 20 30 EFEDHM N#Cc1ccc2nc(NCCNC(=O)c3ccc([O-])cc3)ccc2c1 ZINC000092891076 473002512 /nfs/dbraw/zinc/00/25/12/473002512.db2.gz YVCRAYBKZZRNRJ-UHFFFAOYSA-N -1 3 332.363 2.654 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1[C@H](C)CCC[C@H]1C ZINC000074502466 473017858 /nfs/dbraw/zinc/01/78/58/473017858.db2.gz VFHMJOXZBHQCHO-VXGBXAGGSA-N -1 3 329.444 2.737 20 30 EFEDHM COc1ccc(Cn2cc(C([O-])=C(C#N)c3ccccn3)cn2)cc1 ZINC000109413140 473100484 /nfs/dbraw/zinc/10/04/84/473100484.db2.gz SQUKQYZTWHSLMI-KRWDZBQOSA-N -1 3 332.363 2.825 20 30 EFEDHM CCCCOCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160324783 473108067 /nfs/dbraw/zinc/10/80/67/473108067.db2.gz VQSSNBMZBSJZRA-UHFFFAOYSA-N -1 3 330.837 2.697 20 30 EFEDHM C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)NC(=O)C1CCCCC1 ZINC000066629092 473128832 /nfs/dbraw/zinc/12/88/32/473128832.db2.gz BCXAGMVWPFTIMZ-QMMMGPOBSA-N -1 3 347.341 2.887 20 30 EFEDHM C[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)NC(=O)C1CCCCC1 ZINC000066629092 473128837 /nfs/dbraw/zinc/12/88/37/473128837.db2.gz BCXAGMVWPFTIMZ-QMMMGPOBSA-N -1 3 347.341 2.887 20 30 EFEDHM CCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)c1ccc(C#N)cc1 ZINC000110061180 473141368 /nfs/dbraw/zinc/14/13/68/473141368.db2.gz XCBCCSTUONYSPU-GFCCVEGCSA-N -1 3 347.374 2.665 20 30 EFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000094016313 473166476 /nfs/dbraw/zinc/16/64/76/473166476.db2.gz RNAMTEBSLMPRMY-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2n[nH]c3c2CCCCC3)c1 ZINC000190837378 473407252 /nfs/dbraw/zinc/40/72/52/473407252.db2.gz OFAGGPXPYFBCNX-OAHLLOKOSA-N -1 3 336.395 2.948 20 30 EFEDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)cs1 ZINC000151181714 473422466 /nfs/dbraw/zinc/42/24/66/473422466.db2.gz TUGAQSVUZCZHQG-SECBINFHSA-N -1 3 339.417 2.756 20 30 EFEDHM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185481289 473437288 /nfs/dbraw/zinc/43/72/88/473437288.db2.gz KIPKWSJOAPGBTC-AWEZNQCLSA-N -1 3 344.864 2.533 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151556573 473472866 /nfs/dbraw/zinc/47/28/66/473472866.db2.gz KRBKDZJDQNHMFN-JTQLQIEISA-N -1 3 328.206 2.752 20 30 EFEDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673373 473492362 /nfs/dbraw/zinc/49/23/62/473492362.db2.gz HQWASKGWCYQXNK-UHFFFAOYSA-N -1 3 347.371 2.765 20 30 EFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000114673446 473492474 /nfs/dbraw/zinc/49/24/74/473492474.db2.gz KZSBWPBWLLSFBC-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM C#CCCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000126595999 473529841 /nfs/dbraw/zinc/52/98/41/473529841.db2.gz IFCYFEVSZMTWHZ-UHFFFAOYSA-N -1 3 330.331 2.659 20 30 EFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000178731590 473549426 /nfs/dbraw/zinc/54/94/26/473549426.db2.gz BLSKPWNDGAJVPE-SSDOTTSWSA-N -1 3 337.626 2.540 20 30 EFEDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)ccc2O1 ZINC000178809441 473569961 /nfs/dbraw/zinc/56/99/61/473569961.db2.gz KRJNWGYINWRHDQ-JTQLQIEISA-N -1 3 332.356 2.822 20 30 EFEDHM N#CCCCC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000178878347 473582816 /nfs/dbraw/zinc/58/28/16/473582816.db2.gz KYWGJUNMBGBNSA-UHFFFAOYSA-N -1 3 335.198 2.560 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000186354491 473658794 /nfs/dbraw/zinc/65/87/94/473658794.db2.gz NNQOOLGKUSATFK-HNNXBMFYSA-N -1 3 335.407 2.783 20 30 EFEDHM C[C@H]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)c2c([O-])cccc21 ZINC000186392801 473666686 /nfs/dbraw/zinc/66/66/86/473666686.db2.gz YVPXWOIUCBLWSM-ZDUSSCGKSA-N -1 3 349.390 2.534 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cncc(N4CCCC4)n3)nc21 ZINC000633916468 480054164 /nfs/dbraw/zinc/05/41/64/480054164.db2.gz QPPLEBJAPBQMNN-ZDUSSCGKSA-N -1 3 346.394 2.752 20 30 EFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cncc(N4CCCC4)n3)[nH]c21 ZINC000633916468 480054170 /nfs/dbraw/zinc/05/41/70/480054170.db2.gz QPPLEBJAPBQMNN-ZDUSSCGKSA-N -1 3 346.394 2.752 20 30 EFEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)ccc1[O-] ZINC000179483952 473690274 /nfs/dbraw/zinc/69/02/74/473690274.db2.gz QKRSGCXXDXTMRI-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM C=CCCOCC[N-]S(=O)(=O)c1cc(C(=O)CC)ccc1Cl ZINC000281505744 473743920 /nfs/dbraw/zinc/74/39/20/473743920.db2.gz OZHVZXSEBXPDSX-UHFFFAOYSA-N -1 3 345.848 2.804 20 30 EFEDHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC)CC#N)c1 ZINC000281531830 473754173 /nfs/dbraw/zinc/75/41/73/473754173.db2.gz RDPRSPWCJFNSQM-NSHDSACASA-N -1 3 328.821 2.903 20 30 EFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1 ZINC000274280654 473774598 /nfs/dbraw/zinc/77/45/98/473774598.db2.gz BUNCXUUGRBINIR-CQSZACIVSA-N -1 3 330.837 2.955 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2ccc(OC(C)C)c(C#N)c2)c1[O-] ZINC000269369545 473789520 /nfs/dbraw/zinc/78/95/20/473789520.db2.gz LXMNJOQVTOBZSE-ZVBGSRNCSA-N -1 3 325.368 2.997 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000187651515 473898353 /nfs/dbraw/zinc/89/83/53/473898353.db2.gz BJSPFCXDUXLUHT-SNVBAGLBSA-N -1 3 346.380 2.766 20 30 EFEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1C ZINC000180669933 473936674 /nfs/dbraw/zinc/93/66/74/473936674.db2.gz XHYZOFWTFUVAJU-UHFFFAOYSA-N -1 3 337.401 2.716 20 30 EFEDHM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000274760636 473946251 /nfs/dbraw/zinc/94/62/51/473946251.db2.gz NJNMQLKRWWZIDW-RYUDHWBXSA-N -1 3 342.848 2.695 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000180846799 473976658 /nfs/dbraw/zinc/97/66/58/473976658.db2.gz BFGIAJAGTJNDER-NSHDSACASA-N -1 3 329.393 2.635 20 30 EFEDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000274831115 473978472 /nfs/dbraw/zinc/97/84/72/473978472.db2.gz ZIVWMQCIRLLNIE-JSGCOSHPSA-N -1 3 342.848 2.694 20 30 EFEDHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000274831114 473978519 /nfs/dbraw/zinc/97/85/19/473978519.db2.gz ZIVWMQCIRLLNIE-GXTWGEPZSA-N -1 3 342.848 2.694 20 30 EFEDHM C[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000188099938 473981132 /nfs/dbraw/zinc/98/11/32/473981132.db2.gz FSDLEQOEKMCARC-SNVBAGLBSA-N -1 3 328.821 2.709 20 30 EFEDHM C=C1CCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)CC1 ZINC000264440357 473992715 /nfs/dbraw/zinc/99/27/15/473992715.db2.gz FPAKYRJUVKAXEV-UHFFFAOYSA-N -1 3 333.413 2.644 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1[O-] ZINC000188221887 474024707 /nfs/dbraw/zinc/02/47/07/474024707.db2.gz HDGQVXWDTPTJNG-INIZCTEOSA-N -1 3 339.395 2.814 20 30 EFEDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccccc1C#N ZINC000188286135 474044945 /nfs/dbraw/zinc/04/49/45/474044945.db2.gz RUSVVWATMDMMTN-UHFFFAOYSA-N -1 3 336.800 2.699 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000181817244 474065065 /nfs/dbraw/zinc/06/50/65/474065065.db2.gz LGNXJHJYDDTJPJ-MRXNPFEDSA-N -1 3 333.409 2.549 20 30 EFEDHM Cc1ccc([C@H](CNC(=O)c2ccc(C#N)c([O-])c2)N2CCCC2)o1 ZINC000188413460 474086196 /nfs/dbraw/zinc/08/61/96/474086196.db2.gz AHFCRIPNIZUMRI-INIZCTEOSA-N -1 3 339.395 2.732 20 30 EFEDHM CC(C)Oc1cccc([C@@H](O)C/N=C/c2ccc(O)c([O-])c2O)c1 ZINC000265251643 474170014 /nfs/dbraw/zinc/17/00/14/474170014.db2.gz IEXPILIGHKSWSM-ARFNDINWSA-N -1 3 331.368 2.743 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(c3ccccc3F)C2)c1[O-] ZINC000270624015 474195795 /nfs/dbraw/zinc/19/57/95/474195795.db2.gz DYTBTOMDLOHZDQ-WPZNHYQYSA-N -1 3 343.402 2.815 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC000188922602 474235848 /nfs/dbraw/zinc/23/58/48/474235848.db2.gz RWWSPQJQUSFGAJ-IUODEOHRSA-N -1 3 329.444 2.881 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2ccc(N3CCOC[C@H]3C)cc2)c1[O-] ZINC000265549332 474251382 /nfs/dbraw/zinc/25/13/82/474251382.db2.gz GNZTVRGRAPVQDY-WVISFHDSSA-N -1 3 341.411 2.564 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCc2nc3c(s2)CCCC3)c1[O-] ZINC000270848669 474293981 /nfs/dbraw/zinc/29/39/81/474293981.db2.gz XLJWARFXUDZOPL-GIJQJNRQSA-N -1 3 331.441 2.585 20 30 EFEDHM N#Cc1cc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ccc1F ZINC000289617253 474348196 /nfs/dbraw/zinc/34/81/96/474348196.db2.gz YSVKZLQAOMPYLX-GFCCVEGCSA-N -1 3 343.324 2.588 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000183247072 474357826 /nfs/dbraw/zinc/35/78/26/474357826.db2.gz AMWQMZAFJZPYDX-GOSISDBHSA-N -1 3 325.387 2.914 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c(Cl)c1 ZINC000183372536 474376244 /nfs/dbraw/zinc/37/62/44/474376244.db2.gz GTKFBCQETLIAAT-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM C[C@@H](CON=C([O-])Nc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000271147934 474404403 /nfs/dbraw/zinc/40/44/03/474404403.db2.gz UISPDJQJHJNUAZ-NSHDSACASA-N -1 3 334.376 2.525 20 30 EFEDHM C[C@@H](CO[N-]C(=O)Nc1cccc(C#N)c1)NC(=O)OC(C)(C)C ZINC000271147934 474404408 /nfs/dbraw/zinc/40/44/08/474404408.db2.gz UISPDJQJHJNUAZ-NSHDSACASA-N -1 3 334.376 2.525 20 30 EFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@@](C)(C#N)CSC ZINC000289839275 474450405 /nfs/dbraw/zinc/45/04/05/474450405.db2.gz DQZWPVJYPPGQIN-AWEZNQCLSA-N -1 3 328.384 2.939 20 30 EFEDHM C=CCC1(NCC2=Nc3ccccc3S(=O)(=O)[N-]2)CCCCC1 ZINC000625935040 480110111 /nfs/dbraw/zinc/11/01/11/480110111.db2.gz KPOMLWIOMPHRQT-UHFFFAOYSA-N -1 3 333.457 2.877 20 30 EFEDHM Cc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1N1CCOC1=O ZINC000266841257 474500796 /nfs/dbraw/zinc/50/07/96/474500796.db2.gz MLEAXMBVBWUXPF-AWQFTUOYSA-N -1 3 341.367 2.604 20 30 EFEDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000249119295 474532004 /nfs/dbraw/zinc/53/20/04/474532004.db2.gz SYIJKGDMHAOIEK-RDTXWAMCSA-N -1 3 335.407 2.514 20 30 EFEDHM CC(C)(C#N)c1ccccc1CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000283962891 474536757 /nfs/dbraw/zinc/53/67/57/474536757.db2.gz IDDARZOFVLCUPX-AWEZNQCLSA-N -1 3 326.400 2.544 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000271752768 474588756 /nfs/dbraw/zinc/58/87/56/474588756.db2.gz ZOGWRTKEZXWHNB-WMLDXEAASA-N -1 3 345.443 2.528 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCN(c3ccccc3F)C2)c1[O-] ZINC000290998289 474589699 /nfs/dbraw/zinc/58/96/99/474589699.db2.gz SOHGLIDNXLTVEX-MNUWJXFPSA-N -1 3 343.402 2.672 20 30 EFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000291000589 474590209 /nfs/dbraw/zinc/59/02/09/474590209.db2.gz VBWBJDIRBVXLEJ-ZDUSSCGKSA-N -1 3 332.347 2.817 20 30 EFEDHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000190373228 474591051 /nfs/dbraw/zinc/59/10/51/474591051.db2.gz USHCMXOIIJUCGV-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)c1[O-] ZINC000271803502 474594619 /nfs/dbraw/zinc/59/46/19/474594619.db2.gz LQOKVYDCYMDSEH-DFFSTIJDSA-N -1 3 348.349 2.815 20 30 EFEDHM C=CCC1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCC1 ZINC000291175495 474596884 /nfs/dbraw/zinc/59/68/84/474596884.db2.gz SCDPBUWUMBIWII-GFCCVEGCSA-N -1 3 332.366 2.650 20 30 EFEDHM C#CCO[N-]C(=O)CCCCOc1ccc(Br)cc1 ZINC000291318689 474600246 /nfs/dbraw/zinc/60/02/46/474600246.db2.gz SLGUFPZIGFVOFP-UHFFFAOYSA-N -1 3 326.190 2.679 20 30 EFEDHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccc(C)o1 ZINC000272143239 474603126 /nfs/dbraw/zinc/60/31/26/474603126.db2.gz KOJIIBLCVQGHIV-OAHLLOKOSA-N -1 3 348.424 2.824 20 30 EFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccc(C)o1 ZINC000272167718 474603326 /nfs/dbraw/zinc/60/33/26/474603326.db2.gz PCPRXPBRSROIAZ-CQSZACIVSA-N -1 3 334.397 2.516 20 30 EFEDHM COCC[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccc(C)o1 ZINC000272189228 474604423 /nfs/dbraw/zinc/60/44/23/474604423.db2.gz VESQNVPVAIMGPS-HNNXBMFYSA-N -1 3 334.397 2.516 20 30 EFEDHM COCC[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccc(C)o1 ZINC000272189232 474604936 /nfs/dbraw/zinc/60/49/36/474604936.db2.gz VESQNVPVAIMGPS-OAHLLOKOSA-N -1 3 334.397 2.516 20 30 EFEDHM CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184775485 474605427 /nfs/dbraw/zinc/60/54/27/474605427.db2.gz CUHTWMRBDSTSQM-GFCCVEGCSA-N -1 3 330.837 2.695 20 30 EFEDHM Cc1ccnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1C#N ZINC000273053061 474692991 /nfs/dbraw/zinc/69/29/91/474692991.db2.gz RHUXZGDCBPHANY-UHFFFAOYSA-N -1 3 336.395 2.822 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000253553521 474767538 /nfs/dbraw/zinc/76/75/38/474767538.db2.gz GOASQRHQCOPCDO-PWIZWCRZSA-N -1 3 347.418 2.663 20 30 EFEDHM N#CCOc1ccc(/C=C\C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000254952307 474777245 /nfs/dbraw/zinc/77/72/45/474777245.db2.gz WYFUDLSMFFXWCN-YWEYNIOJSA-N -1 3 326.327 2.763 20 30 EFEDHM CCNC(=O)Nc1cccc(/N=C/c2c([O-])c(C)ncc2CO)c1C ZINC000278727151 474797829 /nfs/dbraw/zinc/79/78/29/474797829.db2.gz LCXIIIPYLODZIT-ZVBGSRNCSA-N -1 3 342.399 2.788 20 30 EFEDHM C=CCC(C)(C)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000292010217 474800108 /nfs/dbraw/zinc/80/01/08/474800108.db2.gz YRYXCNPFHMRWCC-SFHVURJKSA-N -1 3 340.383 2.645 20 30 EFEDHM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000344888433 474806393 /nfs/dbraw/zinc/80/63/93/474806393.db2.gz PYUGWKRSWHSLCF-GFCCVEGCSA-N -1 3 349.316 2.908 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)c1ccccc1 ZINC000344914129 474810313 /nfs/dbraw/zinc/81/03/13/474810313.db2.gz ZQERCYVPYMCYBK-UHFFFAOYSA-N -1 3 349.408 2.620 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)c1ccccc1 ZINC000344917282 474811302 /nfs/dbraw/zinc/81/13/02/474811302.db2.gz QNQWHOZKCLZIBV-UHFFFAOYSA-N -1 3 349.383 2.604 20 30 EFEDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)CCC#N)c1[N+](=O)[O-] ZINC000344954099 474818690 /nfs/dbraw/zinc/81/86/90/474818690.db2.gz JACRYGGLIVUQQS-UHFFFAOYSA-N -1 3 339.417 2.820 20 30 EFEDHM C=C(C[N-]S(=O)(=O)c1cc(C(=O)OC)cs1)c1ccccc1 ZINC000344969659 474820978 /nfs/dbraw/zinc/82/09/78/474820978.db2.gz YNPCOZUGQURAEG-UHFFFAOYSA-N -1 3 337.422 2.526 20 30 EFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000284934669 474831281 /nfs/dbraw/zinc/83/12/81/474831281.db2.gz AAKRJXDCVWCSKW-LLVKDONJSA-N -1 3 339.269 2.917 20 30 EFEDHM O=C(/C=C\c1cncc([O-])c1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000255518582 474865077 /nfs/dbraw/zinc/86/50/77/474865077.db2.gz IXNOOVIORQLREO-YVMONPNESA-N -1 3 346.308 2.987 20 30 EFEDHM N#CCCCC[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000293312125 474921283 /nfs/dbraw/zinc/92/12/83/474921283.db2.gz ITLQEFYYRYHMOR-UHFFFAOYSA-N -1 3 340.298 2.696 20 30 EFEDHM N#CCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000273505062 474934164 /nfs/dbraw/zinc/93/41/64/474934164.db2.gz IHFTZRBFCZHCGJ-UHFFFAOYSA-N -1 3 326.727 2.941 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CCC1 ZINC000341104811 474977594 /nfs/dbraw/zinc/97/75/94/474977594.db2.gz IXOYNSJKAVVKTA-UHFFFAOYSA-N -1 3 347.827 2.964 20 30 EFEDHM N#Cc1ccc(C2=CCN(C(=O)c3cc(F)cc4[n-]nnc43)CC2)cc1 ZINC000337481382 475056496 /nfs/dbraw/zinc/05/64/96/475056496.db2.gz WZEICMPKXWAFIO-UHFFFAOYSA-N -1 3 347.353 2.898 20 30 EFEDHM N#Cc1ccc(C2=CCN(C(=O)c3cc(F)cc4nn[n-]c43)CC2)cc1 ZINC000337481382 475056506 /nfs/dbraw/zinc/05/65/06/475056506.db2.gz WZEICMPKXWAFIO-UHFFFAOYSA-N -1 3 347.353 2.898 20 30 EFEDHM N#Cc1ccc(C2=CCN(C(=O)c3cc(F)cc4n[n-]nc43)CC2)cc1 ZINC000337481382 475056517 /nfs/dbraw/zinc/05/65/17/475056517.db2.gz WZEICMPKXWAFIO-UHFFFAOYSA-N -1 3 347.353 2.898 20 30 EFEDHM N#C[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1Cl ZINC000337488601 475063703 /nfs/dbraw/zinc/06/37/03/475063703.db2.gz BRWNHVXKYCPYHU-ZDUSSCGKSA-N -1 3 329.722 2.745 20 30 EFEDHM N#C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1Cl ZINC000337488601 475063711 /nfs/dbraw/zinc/06/37/11/475063711.db2.gz BRWNHVXKYCPYHU-ZDUSSCGKSA-N -1 3 329.722 2.745 20 30 EFEDHM N#C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1Cl ZINC000337488601 475063719 /nfs/dbraw/zinc/06/37/19/475063719.db2.gz BRWNHVXKYCPYHU-ZDUSSCGKSA-N -1 3 329.722 2.745 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c(Cl)c1 ZINC000329516933 475089630 /nfs/dbraw/zinc/08/96/30/475089630.db2.gz PDJAXNMESNHNHG-GFCCVEGCSA-N -1 3 340.832 2.592 20 30 EFEDHM CO[C@@H](CS(=O)(=O)[N-][C@@H](C#N)C1CCCCC1)c1ccccc1 ZINC000294915285 475091598 /nfs/dbraw/zinc/09/15/98/475091598.db2.gz BXHJOPBAVXRRJM-IRXDYDNUSA-N -1 3 336.457 2.766 20 30 EFEDHM C[C@]1(c2ccc(CNC(=O)[C@@H]3C[C@]34CCOC4)cc2)NC(=O)[N-]C1=O ZINC000329604666 475095795 /nfs/dbraw/zinc/09/57/95/475095795.db2.gz LUMPMECAICVPOR-VHSSKADRSA-N -1 3 343.383 2.669 20 30 EFEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000345372543 475134775 /nfs/dbraw/zinc/13/47/75/475134775.db2.gz VPAGXRMCPCHXHF-LLVKDONJSA-N -1 3 333.837 2.608 20 30 EFEDHM CCN(CC)C(=O)C1(NC(=O)c2csc(=O)[n-]2)CCCCC1 ZINC000329906194 475159971 /nfs/dbraw/zinc/15/99/71/475159971.db2.gz JYZFEFMZFDWYHD-UHFFFAOYSA-N -1 3 325.434 2.725 20 30 EFEDHM Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000329953391 475172036 /nfs/dbraw/zinc/17/20/36/475172036.db2.gz NFNFGGGROZEOQQ-CJNGLKHVSA-N -1 3 331.372 2.564 20 30 EFEDHM CCOC(=O)c1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)nc1 ZINC000345430326 475185181 /nfs/dbraw/zinc/18/51/81/475185181.db2.gz RIDAXSMAZTXUIE-CYBMUJFWSA-N -1 3 348.362 2.933 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)CCCCC1 ZINC000330022534 475186343 /nfs/dbraw/zinc/18/63/43/475186343.db2.gz ZRHLESVNYPYAGO-OAHLLOKOSA-N -1 3 332.425 2.708 20 30 EFEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c2cnn(C)c2n1 ZINC000347348750 475253986 /nfs/dbraw/zinc/25/39/86/475253986.db2.gz VRIKUAIRLBQBJJ-ZDUSSCGKSA-N -1 3 344.378 2.952 20 30 EFEDHM CCCc1nc(=NC(=O)NCC(C)(C)N2CCCCC2)s[n-]1 ZINC000330860308 475284948 /nfs/dbraw/zinc/28/49/48/475284948.db2.gz RQIGFTYLLXJSKU-UHFFFAOYSA-N -1 3 325.482 2.503 20 30 EFEDHM Cc1csc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CCCCC2)n1 ZINC000331070426 475307389 /nfs/dbraw/zinc/30/73/89/475307389.db2.gz SEXHLRUENUGTCS-LBPRGKRZSA-N -1 3 327.475 2.906 20 30 EFEDHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000331096958 475309793 /nfs/dbraw/zinc/30/97/93/475309793.db2.gz AVUQKOAOQPVZGQ-LDYMZIIASA-N -1 3 336.310 2.815 20 30 EFEDHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(C#Cc2ccccc2)c1 ZINC000337770442 475310014 /nfs/dbraw/zinc/31/00/14/475310014.db2.gz VCGYMYWPCLZYJF-OAHLLOKOSA-N -1 3 329.421 2.863 20 30 EFEDHM CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000352477993 475333332 /nfs/dbraw/zinc/33/33/32/475333332.db2.gz QUMXTHADHLQAGV-SNVBAGLBSA-N -1 3 332.347 2.901 20 30 EFEDHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC(C(F)(F)F)CC1 ZINC000331153551 475316037 /nfs/dbraw/zinc/31/60/37/475316037.db2.gz INLRWEMORNZWID-UHFFFAOYSA-N -1 3 345.247 2.512 20 30 EFEDHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCC(C(F)(F)F)CC1 ZINC000331153551 475316046 /nfs/dbraw/zinc/31/60/46/475316046.db2.gz INLRWEMORNZWID-UHFFFAOYSA-N -1 3 345.247 2.512 20 30 EFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(C(F)(F)F)CC1 ZINC000331153551 475316054 /nfs/dbraw/zinc/31/60/54/475316054.db2.gz INLRWEMORNZWID-UHFFFAOYSA-N -1 3 345.247 2.512 20 30 EFEDHM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(C(C)=O)c([O-])c2)C1 ZINC000331241231 475326026 /nfs/dbraw/zinc/32/60/26/475326026.db2.gz QEWLOYIVDQPEMQ-UDFDBXRZSA-N -1 3 337.441 2.979 20 30 EFEDHM COc1cccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c1[O-] ZINC000331232983 475326467 /nfs/dbraw/zinc/32/64/67/475326467.db2.gz JMKUBKOIDTVROW-SNVBAGLBSA-N -1 3 332.322 2.732 20 30 EFEDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000331255735 475329421 /nfs/dbraw/zinc/32/94/21/475329421.db2.gz YUDIJXOHDJAERX-BXUZGUMPSA-N -1 3 342.486 2.739 20 30 EFEDHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000331255736 475330246 /nfs/dbraw/zinc/33/02/46/475330246.db2.gz YUDIJXOHDJAERX-FZMZJTMJSA-N -1 3 342.486 2.739 20 30 EFEDHM Cc1ccc(C(=O)NCCC(=O)N2CCCC(C)(C)[C@H]2C#N)c([O-])c1 ZINC000331250005 475330418 /nfs/dbraw/zinc/33/04/18/475330418.db2.gz WGBJOUIHNFQQDP-MRXNPFEDSA-N -1 3 343.427 2.936 20 30 EFEDHM C=CCC[C@H](NCc1nc(=O)n(C)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000347676371 475334445 /nfs/dbraw/zinc/33/44/45/475334445.db2.gz QEZOBOFLCDTKPH-ZDUSSCGKSA-N -1 3 340.349 2.924 20 30 EFEDHM COc1cc2c(cc1F)[n-]cc(C(=O)Nc1cccc(C#N)c1)c2=O ZINC000354697926 475345129 /nfs/dbraw/zinc/34/51/29/475345129.db2.gz OPWMCBRABMTSOI-UHFFFAOYSA-N -1 3 337.310 2.800 20 30 EFEDHM COc1cc2c([O-])c(C(=O)Nc3cccc(C#N)c3)cnc2cc1F ZINC000354697926 475345136 /nfs/dbraw/zinc/34/51/36/475345136.db2.gz OPWMCBRABMTSOI-UHFFFAOYSA-N -1 3 337.310 2.800 20 30 EFEDHM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1cnc2ccccc2n1 ZINC000347841391 475348882 /nfs/dbraw/zinc/34/88/82/475348882.db2.gz OSEQEIDJSYCIGF-LLVKDONJSA-N -1 3 330.303 2.967 20 30 EFEDHM C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)c1ccc(OC)cc1OC ZINC000348114679 475400786 /nfs/dbraw/zinc/40/07/86/475400786.db2.gz ISFQRBILLOFOLP-SNVBAGLBSA-N -1 3 349.412 2.550 20 30 EFEDHM C=CCn1c(=O)[n-]nc1S[C@H](C)C(=O)c1ccc(OC)c(OC)c1 ZINC000348123333 475408194 /nfs/dbraw/zinc/40/81/94/475408194.db2.gz RHIWAAWCAFKNRE-SNVBAGLBSA-N -1 3 349.412 2.550 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-]CC2(CC#N)CC2)sc1Br ZINC000331825482 475424725 /nfs/dbraw/zinc/42/47/25/475424725.db2.gz CXPGHSODOSAIMV-UHFFFAOYSA-N -1 3 349.275 2.791 20 30 EFEDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000341968916 475460536 /nfs/dbraw/zinc/46/05/36/475460536.db2.gz KVWAXUMXLHSREF-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM N#Cc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)s1 ZINC000338031081 475526064 /nfs/dbraw/zinc/52/60/64/475526064.db2.gz MRQZMNSVCPSBAL-UHFFFAOYSA-N -1 3 347.197 2.704 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(OC)ccc1[O-] ZINC000342390204 475593239 /nfs/dbraw/zinc/59/32/39/475593239.db2.gz BRZGSPFLUBFONC-UHFFFAOYSA-N -1 3 331.368 2.705 20 30 EFEDHM CCCCCn1cc(C[N-]S(=O)(=O)c2ccccc2C#N)c(C)n1 ZINC000348337480 475603310 /nfs/dbraw/zinc/60/33/10/475603310.db2.gz HLJZMCPLVUBWTE-UHFFFAOYSA-N -1 3 346.456 2.732 20 30 EFEDHM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000332417803 475631036 /nfs/dbraw/zinc/63/10/36/475631036.db2.gz CXTRIZLTIGKRIS-LBPRGKRZSA-N -1 3 343.246 2.788 20 30 EFEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000342783936 475640286 /nfs/dbraw/zinc/64/02/86/475640286.db2.gz QQRVDWNVOABBDG-UHFFFAOYSA-N -1 3 348.399 2.851 20 30 EFEDHM N#CCCN(CC1CC1)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC000342859403 475649191 /nfs/dbraw/zinc/64/91/91/475649191.db2.gz FTGNHILWOJIDFT-UHFFFAOYSA-N -1 3 329.787 2.947 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)[n-]c(=O)n1 ZINC000342942263 475660267 /nfs/dbraw/zinc/66/02/67/475660267.db2.gz ZLWSULGGINKDCA-NSHDSACASA-N -1 3 337.166 2.792 20 30 EFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2cccc(C#N)c2C)c1 ZINC000338192260 475664489 /nfs/dbraw/zinc/66/44/89/475664489.db2.gz WKCBDNKWHIGCFG-UHFFFAOYSA-N -1 3 343.408 2.799 20 30 EFEDHM CO[C@@H]1[C@H](C)[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1(C)C ZINC000342992967 475681282 /nfs/dbraw/zinc/68/12/82/475681282.db2.gz CBGUUHLOTHLBGR-OWYVNGRQSA-N -1 3 342.848 2.549 20 30 EFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OCC)c1 ZINC000353122561 475697781 /nfs/dbraw/zinc/69/77/81/475697781.db2.gz AQNZWWNZWRENSI-CYBMUJFWSA-N -1 3 329.393 2.635 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000343098264 475766764 /nfs/dbraw/zinc/76/67/64/475766764.db2.gz SIMUZFUPAGATPL-KZULUSFZSA-N -1 3 344.386 2.687 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(OCC(F)F)c2)nc(C)n1 ZINC000340187194 475838147 /nfs/dbraw/zinc/83/81/47/475838147.db2.gz UWRGPUAPPKRRJT-LBPRGKRZSA-N -1 3 332.310 2.622 20 30 EFEDHM C=CCN1CCC(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000338383912 475849586 /nfs/dbraw/zinc/84/95/86/475849586.db2.gz KPOUSYRIIIVQRG-UHFFFAOYSA-N -1 3 345.830 2.974 20 30 EFEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cn3c(n2)CCC[C@H]3C)C1 ZINC000333150876 475851878 /nfs/dbraw/zinc/85/18/78/475851878.db2.gz KOTWPRRLHNVIFB-IOASZLSFSA-N -1 3 336.461 2.531 20 30 EFEDHM Cc1cc(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)[n-]c(=O)n1 ZINC000358686259 475859059 /nfs/dbraw/zinc/85/90/59/475859059.db2.gz RKPZQAGTYPNUKB-UHFFFAOYSA-N -1 3 344.374 2.959 20 30 EFEDHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H](C)O1 ZINC000338424231 475891627 /nfs/dbraw/zinc/89/16/27/475891627.db2.gz MVQXLFCWNAGENK-VXGBXAGGSA-N -1 3 340.420 2.569 20 30 EFEDHM Cc1cccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000355411466 475913135 /nfs/dbraw/zinc/91/31/35/475913135.db2.gz SXKSFYRCXODAIY-UHFFFAOYSA-N -1 3 338.411 2.570 20 30 EFEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cnc2n[nH]nc2c1 ZINC000349197114 475919291 /nfs/dbraw/zinc/91/92/91/475919291.db2.gz VQEMZADCTCYEAN-JTQLQIEISA-N -1 3 338.396 2.999 20 30 EFEDHM Cc1sc(C[N-]S(=O)(=O)CC2(C#N)CCC2)nc1C(C)C ZINC000349625820 475980799 /nfs/dbraw/zinc/98/07/99/475980799.db2.gz HUCXXWDFVDFUGI-UHFFFAOYSA-N -1 3 327.475 2.688 20 30 EFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000355504801 475993140 /nfs/dbraw/zinc/99/31/40/475993140.db2.gz BRUNCDJZMQGUQC-UHFFFAOYSA-N -1 3 345.811 2.604 20 30 EFEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000355514998 475998544 /nfs/dbraw/zinc/99/85/44/475998544.db2.gz QMSMMDGBMFFKRP-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM C=C(C)CCc1noc(CS(=O)(=O)[N-]C2CCC(C)CC2)n1 ZINC000349779318 476000209 /nfs/dbraw/zinc/00/02/09/476000209.db2.gz JRVSAHDJVKOOCF-UHFFFAOYSA-N -1 3 327.450 2.576 20 30 EFEDHM N#Cc1cccc(C2(NC(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000353538766 476058544 /nfs/dbraw/zinc/05/85/44/476058544.db2.gz VNBKJZQASUXOLP-UHFFFAOYSA-N -1 3 325.343 2.891 20 30 EFEDHM COc1cc(CNC(=O)Cc2ccc([O-])cc2Cl)ccc1C#N ZINC000358970488 476078913 /nfs/dbraw/zinc/07/89/13/476078913.db2.gz LFBZZMIVMFFKCL-UHFFFAOYSA-N -1 3 330.771 2.785 20 30 EFEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3occ4c3CCC4)n2)cc1 ZINC000353584998 476100685 /nfs/dbraw/zinc/10/06/85/476100685.db2.gz NMYRLOFLHISMMK-UHFFFAOYSA-N -1 3 333.351 2.532 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(OC(F)F)n(C)n3)nc21 ZINC000343946907 476138032 /nfs/dbraw/zinc/13/80/32/476138032.db2.gz MPIONJKFFRFSPQ-SECBINFHSA-N -1 3 345.309 2.696 20 30 EFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cc(OC(F)F)n(C)n3)[nH]c21 ZINC000343946907 476138040 /nfs/dbraw/zinc/13/80/40/476138040.db2.gz MPIONJKFFRFSPQ-SECBINFHSA-N -1 3 345.309 2.696 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)s1 ZINC000336842136 476138549 /nfs/dbraw/zinc/13/85/49/476138549.db2.gz TZKGYABQNFIOTG-QMMMGPOBSA-N -1 3 327.818 2.708 20 30 EFEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347272699 476221535 /nfs/dbraw/zinc/22/15/35/476221535.db2.gz XXENVDYSSPPKRX-JTQLQIEISA-N -1 3 345.384 2.832 20 30 EFEDHM N#Cc1cccc(CS(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000353738939 476230863 /nfs/dbraw/zinc/23/08/63/476230863.db2.gz MNODYRGVBFSFLE-OAHLLOKOSA-N -1 3 348.811 2.765 20 30 EFEDHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000357177337 476278137 /nfs/dbraw/zinc/27/81/37/476278137.db2.gz VKKZVULUHBOVEU-UHFFFAOYSA-N -1 3 335.772 2.610 20 30 EFEDHM CC(=C([O-])Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(F)(F)F ZINC000360186194 476294121 /nfs/dbraw/zinc/29/41/21/476294121.db2.gz ZUFFYTOACFIUQX-MRVPVSSYSA-N -1 3 342.708 2.956 20 30 EFEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000351106982 476339374 /nfs/dbraw/zinc/33/93/74/476339374.db2.gz ILRAWVNADBNQEM-CYBMUJFWSA-N -1 3 334.413 2.587 20 30 EFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000351159867 476349664 /nfs/dbraw/zinc/34/96/64/476349664.db2.gz CXEDAGOYXZUDOV-GFCCVEGCSA-N -1 3 336.841 2.544 20 30 EFEDHM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357384397 476352765 /nfs/dbraw/zinc/35/27/65/476352765.db2.gz HTKVVQYRDDVUKT-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000351263009 476385189 /nfs/dbraw/zinc/38/51/89/476385189.db2.gz QEVGKJOWVUYESE-CQSZACIVSA-N -1 3 342.417 2.804 20 30 EFEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(C#N)cc1 ZINC000362761883 476394213 /nfs/dbraw/zinc/39/42/13/476394213.db2.gz 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COC(=O)c1cnc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)cn1 ZINC000411007367 477089164 /nfs/dbraw/zinc/08/91/64/477089164.db2.gz MUOJLOFZHFSVOX-UHFFFAOYSA-N -1 3 344.396 2.746 20 30 EFEDHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000447933366 477094912 /nfs/dbraw/zinc/09/49/12/477094912.db2.gz WOKCKQCDIJNZFF-UHFFFAOYSA-N -1 3 347.864 3.000 20 30 EFEDHM Cc1cc(F)cc(-n2cc(C(=O)[N-]c3sccc3C#N)nn2)c1 ZINC000448097927 477130022 /nfs/dbraw/zinc/13/00/22/477130022.db2.gz RXGCSKPUFJCDKH-UHFFFAOYSA-N -1 3 327.344 2.900 20 30 EFEDHM CC(C)c1nc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)cn1C ZINC000416437680 477174093 /nfs/dbraw/zinc/17/40/93/477174093.db2.gz MULMVFOFKFGTFC-OAHLLOKOSA-N -1 3 346.456 2.867 20 30 EFEDHM C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000416509361 477194188 /nfs/dbraw/zinc/19/41/88/477194188.db2.gz UIZMRENLLJILOW-JTQLQIEISA-N -1 3 325.390 2.569 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)OCC1CC1 ZINC000416585681 477228405 /nfs/dbraw/zinc/22/84/05/477228405.db2.gz 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477285568 /nfs/dbraw/zinc/28/55/68/477285568.db2.gz MDIONMTZJICFEJ-DIFFPNOSSA-N -1 3 346.383 2.639 20 30 EFEDHM COc1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(Br)c1[O-] ZINC000424197301 477327716 /nfs/dbraw/zinc/32/77/16/477327716.db2.gz NZCOHJHGTODIOL-GXSJLCMTSA-N -1 3 325.206 2.945 20 30 EFEDHM CC(C)(C)C1CCC(C#N)([N-]S(=O)(=O)CCOCC2CC2)CC1 ZINC000424207607 477330278 /nfs/dbraw/zinc/33/02/78/477330278.db2.gz IXLNRAJTAVQJOD-UHFFFAOYSA-N -1 3 342.505 2.831 20 30 EFEDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435748313 477364643 /nfs/dbraw/zinc/36/46/43/477364643.db2.gz NRLYKDFBXRIIRP-UHFFFAOYSA-N -1 3 347.371 2.765 20 30 EFEDHM N#Cc1ccc(C(=O)CNC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000436697004 477561876 /nfs/dbraw/zinc/56/18/76/477561876.db2.gz KWMLUYDEUWOMST-UHFFFAOYSA-N -1 3 334.375 2.755 20 30 EFEDHM COCCOc1ccc(C#N)cc1NC(=O)c1cccc(OC)c1[O-] ZINC000436846131 477612214 /nfs/dbraw/zinc/61/22/14/477612214.db2.gz AXCBJTCLPOWELC-UHFFFAOYSA-N -1 3 342.351 2.550 20 30 EFEDHM CCN=c1[n-]c(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000420214405 477639214 /nfs/dbraw/zinc/63/92/14/477639214.db2.gz ZVTYVXLZFJXQDW-CQSZACIVSA-N -1 3 326.425 2.676 20 30 EFEDHM COC(=O)[C@@H](CNc1nc(C)ccc1C#N)Cc1ccc([O-])c(F)c1 ZINC000420629169 477764024 /nfs/dbraw/zinc/76/40/24/477764024.db2.gz CAQBARLPEXAENW-CQSZACIVSA-N -1 3 343.358 2.550 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000437907384 477773131 /nfs/dbraw/zinc/77/31/31/477773131.db2.gz GQBKXVNUKRWFIP-KRWDZBQOSA-N -1 3 335.354 2.944 20 30 EFEDHM N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc([O-])c3)C2)c(F)c1 ZINC000367962240 477773531 /nfs/dbraw/zinc/77/35/31/477773531.db2.gz HUNFIKZORJWMIK-OAHLLOKOSA-N -1 3 339.370 2.802 20 30 EFEDHM C=CC(C)(C)CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000456114395 477794882 /nfs/dbraw/zinc/79/48/82/477794882.db2.gz IXEFSWMZZLBGIA-UHFFFAOYSA-N -1 3 343.383 2.883 20 30 EFEDHM CC(C)OCCS(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1 ZINC000451080482 477813846 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CCC(CC)(C[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428407334 477887818 /nfs/dbraw/zinc/88/78/18/477887818.db2.gz YUXMAKISIMMBBK-UHFFFAOYSA-N -1 3 343.452 2.990 20 30 EFEDHM Cn1ncc2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)cnc21 ZINC000531340366 477900556 /nfs/dbraw/zinc/90/05/56/477900556.db2.gz VFOJQFPDPNHTCG-LBPRGKRZSA-N -1 3 345.284 2.872 20 30 EFEDHM N#CCc1ccc(S(=O)(=O)[N-]CCC(F)(F)F)c(Cl)c1 ZINC000451282084 477929541 /nfs/dbraw/zinc/92/95/41/477929541.db2.gz KPTZWBDMMJXXIN-UHFFFAOYSA-N -1 3 326.727 2.637 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1noc2ccccc12 ZINC000439206578 477944515 /nfs/dbraw/zinc/94/45/15/477944515.db2.gz QXBOTROJLXHXLG-UHFFFAOYSA-N -1 3 347.783 2.831 20 30 EFEDHM CC[C@@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)OC ZINC000421160524 477989585 /nfs/dbraw/zinc/98/95/85/477989585.db2.gz YLEMLDFNDLZSEM-AWEZNQCLSA-N -1 3 326.418 2.536 20 30 EFEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000421248244 478019394 /nfs/dbraw/zinc/01/93/94/478019394.db2.gz KMLJEEOWQGCTOL-VIFPVBQESA-N -1 3 338.763 2.768 20 30 EFEDHM CC[C@H](CS(=O)(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1)OC ZINC000421252424 478021048 /nfs/dbraw/zinc/02/10/48/478021048.db2.gz TWAVJBWYVCCUKP-NPCAHTBFSA-N -1 3 330.494 2.829 20 30 EFEDHM Cc1ccc2ncc(C#N)c(NCc3nnc(C(F)(F)F)[n-]3)c2c1 ZINC000487735062 478068273 /nfs/dbraw/zinc/06/82/73/478068273.db2.gz DNNGQLJEROIGRH-UHFFFAOYSA-N -1 3 332.289 2.586 20 30 EFEDHM Cc1ccc2ncc(C#N)c(NCc3n[n-]c(C(F)(F)F)n3)c2c1 ZINC000487735062 478068279 /nfs/dbraw/zinc/06/82/79/478068279.db2.gz DNNGQLJEROIGRH-UHFFFAOYSA-N -1 3 332.289 2.586 20 30 EFEDHM Cc1ccc2ncc(C#N)c(NCc3nc(C(F)(F)F)n[n-]3)c2c1 ZINC000487735062 478068284 /nfs/dbraw/zinc/06/82/84/478068284.db2.gz DNNGQLJEROIGRH-UHFFFAOYSA-N -1 3 332.289 2.586 20 30 EFEDHM C[C@@H]1Oc2cc(F)ccc2[C@H]1[N-]S(=O)(=O)CC(C)(C)CC#N ZINC000451558995 478093307 /nfs/dbraw/zinc/09/33/07/478093307.db2.gz DVJNARZPWHKKFJ-HZMBPMFUSA-N -1 3 326.393 2.507 20 30 EFEDHM CC(F)(F)CC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 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/nfs/dbraw/zinc/29/33/18/478293318.db2.gz WFGXRZBGXWTBCU-LLVKDONJSA-N -1 3 342.848 2.858 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000594372502 478346992 /nfs/dbraw/zinc/34/69/92/478346992.db2.gz GTZVXSPIPVRVOF-HNNXBMFYSA-N -1 3 334.379 2.739 20 30 EFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000562923390 478381063 /nfs/dbraw/zinc/38/10/63/478381063.db2.gz GJGBSDNAVLFQPJ-SSDOTTSWSA-N -1 3 337.626 2.540 20 30 EFEDHM Cc1cnc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C)c1 ZINC000594476791 478403915 /nfs/dbraw/zinc/40/39/15/478403915.db2.gz ZZLDWRKDFFECSR-UHFFFAOYSA-N -1 3 349.843 2.745 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc2[n-]nnc21 ZINC000527107181 478414795 /nfs/dbraw/zinc/41/47/95/478414795.db2.gz DWCPHLHMKZVYRA-RDJZCZTQSA-N -1 3 331.379 2.870 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc2nn[n-]c21 ZINC000527107181 478414805 /nfs/dbraw/zinc/41/48/05/478414805.db2.gz DWCPHLHMKZVYRA-RDJZCZTQSA-N -1 3 331.379 2.870 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc2n[n-]nc21 ZINC000527107181 478414809 /nfs/dbraw/zinc/41/48/09/478414809.db2.gz DWCPHLHMKZVYRA-RDJZCZTQSA-N -1 3 331.379 2.870 20 30 EFEDHM N#C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(OC(F)(F)F)cc1 ZINC000527166589 478415500 /nfs/dbraw/zinc/41/55/00/478415500.db2.gz YFOYKESLDFNTKD-SECBINFHSA-N -1 3 343.286 2.742 20 30 EFEDHM Cc1ccc(C[C@@H](C#N)Sc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000600586620 478430245 /nfs/dbraw/zinc/43/02/45/478430245.db2.gz NBKDNZFGBYPSIJ-LBPRGKRZSA-N -1 3 325.397 2.604 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC000594720611 478513035 /nfs/dbraw/zinc/51/30/35/478513035.db2.gz LNMWPIKEPNVIJG-NSHDSACASA-N -1 3 349.225 2.700 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000594744749 478526407 /nfs/dbraw/zinc/52/64/07/478526407.db2.gz OADFZYSNCQAWFP-LBPRGKRZSA-N -1 3 336.438 2.539 20 30 EFEDHM C#C[C@H](C)N(C)C(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000491375589 478528515 /nfs/dbraw/zinc/52/85/15/478528515.db2.gz WRMPYSPFOWAZHT-FGEFZZPRSA-N -1 3 338.201 2.657 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)C[C@@H](C)O ZINC000594770639 478537341 /nfs/dbraw/zinc/53/73/41/478537341.db2.gz BPTNKYWQOKTPJX-VHSXEESVSA-N -1 3 338.454 2.519 20 30 EFEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594781518 478540284 /nfs/dbraw/zinc/54/02/84/478540284.db2.gz QTEYOPISQDHZAE-LLVKDONJSA-N -1 3 335.385 2.776 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CO[C@H](C)C1 ZINC000594794942 478543170 /nfs/dbraw/zinc/54/31/70/478543170.db2.gz MKPCGODJNMNKBG-BXKDBHETSA-N -1 3 336.438 2.537 20 30 EFEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000594814969 478549857 /nfs/dbraw/zinc/54/98/57/478549857.db2.gz HMPRYRKODOOPJV-UHFFFAOYSA-N -1 3 344.458 2.799 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCOCC1 ZINC000594845486 478559564 /nfs/dbraw/zinc/55/95/64/478559564.db2.gz NIKFINCHNAOAHP-UHFFFAOYSA-N -1 3 340.832 2.615 20 30 EFEDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594847272 478560190 /nfs/dbraw/zinc/56/01/90/478560190.db2.gz CNTYPNDJWQZMAI-UHFFFAOYSA-N -1 3 330.837 2.695 20 30 EFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000582373580 478583075 /nfs/dbraw/zinc/58/30/75/478583075.db2.gz YRKSJRVFABGKBB-UHFFFAOYSA-N -1 3 332.429 2.613 20 30 EFEDHM C#C[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(F)cc1 ZINC000491553745 478585023 /nfs/dbraw/zinc/58/50/23/478585023.db2.gz CHHNFARPCGKRIH-CQSZACIVSA-N -1 3 329.327 2.653 20 30 EFEDHM Cc1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)ccc1[O-] ZINC000597937153 478586024 /nfs/dbraw/zinc/58/60/24/478586024.db2.gz SWJAHAWSVFJAHR-UHFFFAOYSA-N -1 3 327.409 2.596 20 30 EFEDHM N#CCCCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000594924042 478587561 /nfs/dbraw/zinc/58/75/61/478587561.db2.gz LFMKPQXYECGDAQ-UHFFFAOYSA-N -1 3 325.397 2.976 20 30 EFEDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000541812103 478592777 /nfs/dbraw/zinc/59/27/77/478592777.db2.gz ODNPZYARORCIFD-VIFPVBQESA-N -1 3 339.417 2.544 20 30 EFEDHM CSCC1(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000597979704 478604840 /nfs/dbraw/zinc/60/48/40/478604840.db2.gz XBVUZIDWCBFYMW-UHFFFAOYSA-N -1 3 347.484 2.858 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCCS1 ZINC000542201767 478635090 /nfs/dbraw/zinc/63/50/90/478635090.db2.gz TZONHOPKQPPMLD-CYBMUJFWSA-N -1 3 333.457 2.610 20 30 EFEDHM C=CCC1(C(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000571630460 478639382 /nfs/dbraw/zinc/63/93/82/478639382.db2.gz XINLDVRMHQOXQH-HNNXBMFYSA-N -1 3 341.411 2.512 20 30 EFEDHM Cn1ncc2c1nc(S[C@@H](C#N)CCc1ccccc1)[n-]c2=O ZINC000601087275 478649158 /nfs/dbraw/zinc/64/91/58/478649158.db2.gz FUPQSAWQYFCQTR-GFCCVEGCSA-N -1 3 325.397 2.686 20 30 EFEDHM C=C[C@@H](C)ON=C([O-])Nc1ncccc1CNC(=O)OC(C)(C)C ZINC000496526619 478667204 /nfs/dbraw/zinc/66/72/04/478667204.db2.gz LWSYTZUKHCALPV-LLVKDONJSA-N -1 3 336.392 2.734 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ncccc1CNC(=O)OC(C)(C)C ZINC000496526619 478667215 /nfs/dbraw/zinc/66/72/15/478667215.db2.gz LWSYTZUKHCALPV-LLVKDONJSA-N -1 3 336.392 2.734 20 30 EFEDHM C#C[C@H](CCC)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000491775882 478672642 /nfs/dbraw/zinc/67/26/42/478672642.db2.gz XMQHSPXOIMZSMW-LLVKDONJSA-N -1 3 347.212 2.822 20 30 EFEDHM CC1N=NC(=S)N1N=Cc1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000496757471 478690776 /nfs/dbraw/zinc/69/07/76/478690776.db2.gz KADCKDFAKBBWBR-UHFFFAOYSA-N -1 3 340.434 2.561 20 30 EFEDHM COc1cc(Cl)c(S(=O)(=O)[N-]CC2(C#N)CC2)cc1Cl ZINC000582822181 478693076 /nfs/dbraw/zinc/69/30/76/478693076.db2.gz IPZYKYRPAMZTOX-UHFFFAOYSA-N -1 3 335.212 2.584 20 30 EFEDHM CC(C)(C)OC(=O)Nc1cnc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000496779782 478693321 /nfs/dbraw/zinc/69/33/21/478693321.db2.gz VZHYXAABQBFRKB-NSHDSACASA-N -1 3 339.355 2.709 20 30 EFEDHM N#Cc1[n-]c(=NC[C@@H]2CCCN(CC(F)(F)F)C2)sc1Cl ZINC000601190615 478714808 /nfs/dbraw/zinc/71/48/08/478714808.db2.gz ANDRJRSLFVXOQB-QMMMGPOBSA-N -1 3 338.786 2.776 20 30 EFEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C=NNc2ncncc2F)s1 ZINC000497227665 478741678 /nfs/dbraw/zinc/74/16/78/478741678.db2.gz OOTUERSVMLKTDE-UHFFFAOYSA-N -1 3 338.368 2.865 20 30 EFEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000595360255 478746820 /nfs/dbraw/zinc/74/68/20/478746820.db2.gz CFBAMIUHGVFCRZ-UHFFFAOYSA-N -1 3 341.230 2.709 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000595399525 478762518 /nfs/dbraw/zinc/76/25/18/478762518.db2.gz MPRVCVSLBBPEDX-UHFFFAOYSA-N -1 3 329.393 2.635 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000595398801 478762850 /nfs/dbraw/zinc/76/28/50/478762850.db2.gz BXNGIONXVNBDQL-UHFFFAOYSA-N -1 3 347.458 2.566 20 30 EFEDHM Cc1ncc(CO)c(C=Nc2cccc(N3CCOC3=O)c2C)c1[O-] ZINC000492006293 478776305 /nfs/dbraw/zinc/77/63/05/478776305.db2.gz GZCZFTXTLQTSAU-UHFFFAOYSA-N -1 3 341.367 2.604 20 30 EFEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccccc2CC#N)n1 ZINC000601337624 478793644 /nfs/dbraw/zinc/79/36/44/478793644.db2.gz FWOQQBPEUKSCMX-UHFFFAOYSA-N -1 3 349.481 2.985 20 30 EFEDHM C=CCOc1cccnc1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000583224333 478797076 /nfs/dbraw/zinc/79/70/76/478797076.db2.gz NNDIWARMCZDQSK-UHFFFAOYSA-N -1 3 346.412 2.644 20 30 EFEDHM N#CCCn1cc(/C=C/C(=O)[N-]OC[C@@H]2CCOC2)c2ccccc21 ZINC000492044671 478797657 /nfs/dbraw/zinc/79/76/57/478797657.db2.gz OCDWZKBALDIWOB-LQYUOIDQSA-N -1 3 339.395 2.652 20 30 EFEDHM Cc1ncc([C@@H](C)[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)s1 ZINC000601498998 478854242 /nfs/dbraw/zinc/85/42/42/478854242.db2.gz JGYCETBXXAWNLU-SECBINFHSA-N -1 3 339.417 2.810 20 30 EFEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)C(C)C ZINC000592351480 478864541 /nfs/dbraw/zinc/86/45/41/478864541.db2.gz ZSDNAQRUWUKASV-MRXNPFEDSA-N -1 3 340.445 2.782 20 30 EFEDHM N#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000592382185 478876097 /nfs/dbraw/zinc/87/60/97/478876097.db2.gz LBTQBEFPBZIFEV-UHFFFAOYSA-N -1 3 340.710 2.573 20 30 EFEDHM N#CC1([N-]S(=O)(=O)Cc2ccc(Br)cc2Cl)CC1 ZINC000592382932 478877107 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COc1ccccc1CO[N-]C(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000492616373 479010378 /nfs/dbraw/zinc/01/03/78/479010378.db2.gz BBXCCCMIADJNSJ-DHZHZOJOSA-N -1 3 338.363 2.859 20 30 EFEDHM C=CCN(C)C(=O)/C=C\c1cc(Br)c([O-])c(OC)c1 ZINC000492719954 479016549 /nfs/dbraw/zinc/01/65/49/479016549.db2.gz OUXAKQPAQDVFOZ-WAYWQWQTSA-N -1 3 326.190 2.821 20 30 EFEDHM C=CCN(CC1CCCCC1)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000601826220 479022913 /nfs/dbraw/zinc/02/29/13/479022913.db2.gz MDBQMJPFPQXOBI-UHFFFAOYSA-N -1 3 330.428 2.717 20 30 EFEDHM N#C[C@@H]([N-]S(=O)(=O)CCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000546567854 479034467 /nfs/dbraw/zinc/03/44/67/479034467.db2.gz NXBDEKJTSLBBJS-CYBMUJFWSA-N -1 3 332.347 2.990 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNC(=O)/C=C\c2cncc([O-])c2)c1 ZINC000493148285 479036490 /nfs/dbraw/zinc/03/64/90/479036490.db2.gz GFCQULZZTXSYKQ-JTGQJZMRSA-N -1 3 337.379 2.798 20 30 EFEDHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000493237234 479041032 /nfs/dbraw/zinc/04/10/32/479041032.db2.gz 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/nfs/dbraw/zinc/11/56/57/479115657.db2.gz IZZWRCRAIJCTNV-UHFFFAOYSA-N -1 3 349.434 2.920 20 30 EFEDHM N#C[C@@]1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCOC1 ZINC000548138508 479123465 /nfs/dbraw/zinc/12/34/65/479123465.db2.gz NSXHVGIYFBHOLW-FQEVSTJZSA-N -1 3 336.391 2.590 20 30 EFEDHM Cc1ccc2c(CSc3nnc(CC#N)n3C)ccc([O-])c2n1 ZINC000548996131 479136372 /nfs/dbraw/zinc/13/63/72/479136372.db2.gz XSELSWYUJXLPPC-UHFFFAOYSA-N -1 3 325.397 2.736 20 30 EFEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549186233 479137531 /nfs/dbraw/zinc/13/75/31/479137531.db2.gz YKZQQBPJUFGEHQ-SECBINFHSA-N -1 3 331.357 2.964 20 30 EFEDHM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000584463147 479142750 /nfs/dbraw/zinc/14/27/50/479142750.db2.gz PNLIDTIHLGVBLW-UHFFFAOYSA-N -1 3 325.390 2.893 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC000552088438 479150165 /nfs/dbraw/zinc/15/01/65/479150165.db2.gz HBQXDROWEKNCKI-UHFFFAOYSA-N -1 3 338.738 2.941 20 30 EFEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000602168663 479213184 /nfs/dbraw/zinc/21/31/84/479213184.db2.gz ACEWGQIIJTXMJD-UHFFFAOYSA-N -1 3 330.775 2.681 20 30 EFEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C#N)CCc2ccccc2)n1 ZINC000602173902 479217146 /nfs/dbraw/zinc/21/71/46/479217146.db2.gz UZKZIFCFGXDPRB-OAHLLOKOSA-N -1 3 338.411 2.615 20 30 EFEDHM C[C@]1(C#N)CCCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000603045422 479217266 /nfs/dbraw/zinc/21/72/66/479217266.db2.gz SPRYMQSKQRQQAY-GFCCVEGCSA-N -1 3 349.744 2.678 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000599281939 479235134 /nfs/dbraw/zinc/23/51/34/479235134.db2.gz XFBSGNCVIXLTDE-SECBINFHSA-N -1 3 349.225 2.867 20 30 EFEDHM Cc1nc(-c2ccc(NC(=O)NCC3(C#N)CCC3)cc2)cc(=O)[n-]1 ZINC000557096322 479254783 /nfs/dbraw/zinc/25/47/83/479254783.db2.gz UFNZCPLQMFHSHB-UHFFFAOYSA-N -1 3 337.383 2.973 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc2C1 ZINC000611018195 479264258 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N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(Cl)cc21 ZINC000599521354 479320412 /nfs/dbraw/zinc/32/04/12/479320412.db2.gz GVFPHQXCKKMQQY-CQSZACIVSA-N -1 3 347.827 2.963 20 30 EFEDHM CCO[C@@H](CC)c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000596615770 479358949 /nfs/dbraw/zinc/35/89/49/479358949.db2.gz NPKZYASWIAQOJG-AWEZNQCLSA-N -1 3 330.388 2.932 20 30 EFEDHM C=CCC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OCC ZINC000593610156 479402215 /nfs/dbraw/zinc/40/22/15/479402215.db2.gz RZQAHGBMIKJODV-AWEZNQCLSA-N -1 3 345.848 2.657 20 30 EFEDHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000593622500 479406144 /nfs/dbraw/zinc/40/61/44/479406144.db2.gz DELADDSTYCUHRE-CHWSQXEVSA-N -1 3 328.434 2.650 20 30 EFEDHM N#C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1Br ZINC000611565413 479417042 /nfs/dbraw/zinc/41/70/42/479417042.db2.gz AQOCLXCUJFLQSL-ZDUSSCGKSA-N -1 3 347.168 2.855 20 30 EFEDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589170366 479490859 /nfs/dbraw/zinc/49/08/59/479490859.db2.gz UZKPOLMTXJPGFP-KSSFIOAISA-N -1 3 335.407 2.829 20 30 EFEDHM Cc1occc1C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000604306831 479498513 /nfs/dbraw/zinc/49/85/13/479498513.db2.gz FCXIVNXYLFZHGX-UHFFFAOYSA-N -1 3 344.314 2.957 20 30 EFEDHM COc1ccc(-c2nsc([N-]C(=O)c3cccc(C#N)n3)n2)cc1 ZINC000589387331 479520256 /nfs/dbraw/zinc/52/02/56/479520256.db2.gz ZLMFYZKSLDQBCA-UHFFFAOYSA-N -1 3 337.364 2.733 20 30 EFEDHM COc1ccc(-c2nnc([N-]C(=O)c3cccc(C#N)n3)s2)cc1 ZINC000589469663 479529287 /nfs/dbraw/zinc/52/92/87/479529287.db2.gz GQOCZHJLVWTINT-UHFFFAOYSA-N -1 3 337.364 2.733 20 30 EFEDHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C#N)Cc1ccccc1 ZINC000604557959 479542871 /nfs/dbraw/zinc/54/28/71/479542871.db2.gz PSMSOOBKZRZGEF-GFCCVEGCSA-N -1 3 329.381 2.504 20 30 EFEDHM CC(C)(C)c1ccc(C#N)c(N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC000589600109 479544034 /nfs/dbraw/zinc/54/40/34/479544034.db2.gz HWPKIUMJNINGQI-UHFFFAOYSA-N -1 3 327.388 2.723 20 30 EFEDHM C[C@H](CN(C)c1c(C#N)cnc2c(Cl)cccc21)c1nnn[n-]1 ZINC000579225011 479675466 /nfs/dbraw/zinc/67/54/66/479675466.db2.gz UREIBWOKVBAFEY-SECBINFHSA-N -1 3 327.779 2.513 20 30 EFEDHM C[C@H](CN(C)c1c(C#N)cnc2c(Cl)cccc21)c1nn[n-]n1 ZINC000579225011 479675469 /nfs/dbraw/zinc/67/54/69/479675469.db2.gz UREIBWOKVBAFEY-SECBINFHSA-N -1 3 327.779 2.513 20 30 EFEDHM Cc1nc(-c2ccc(NC(=O)N3CC[C@](F)(C#N)C3)cc2)cc(=O)[n-]1 ZINC000615527118 479684537 /nfs/dbraw/zinc/68/45/37/479684537.db2.gz ZDGKEUHGJYQRKT-KRWDZBQOSA-N -1 3 341.346 2.627 20 30 EFEDHM C=CCC1(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCCC1 ZINC000619104694 479688498 /nfs/dbraw/zinc/68/84/98/479688498.db2.gz RSTFXRFWYIVEFW-UHFFFAOYSA-N -1 3 340.420 2.816 20 30 EFEDHM CC#CCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000625114280 479774913 /nfs/dbraw/zinc/77/49/13/479774913.db2.gz UPVKSNCGFTZXON-UHFFFAOYSA-N -1 3 334.210 2.588 20 30 EFEDHM CCOC(=O)c1ncc(NC(=O)C[C@@H](CC#N)c2ccccc2)[n-]1 ZINC000619446837 479792729 /nfs/dbraw/zinc/79/27/29/479792729.db2.gz AANZAGWXVPISOR-CYBMUJFWSA-N -1 3 326.356 2.612 20 30 EFEDHM CCOC(=O)c1nc(NC(=O)C[C@@H](CC#N)c2ccccc2)c[n-]1 ZINC000619446837 479792738 /nfs/dbraw/zinc/79/27/38/479792738.db2.gz AANZAGWXVPISOR-CYBMUJFWSA-N -1 3 326.356 2.612 20 30 EFEDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C12CCCC2 ZINC000619548018 479825794 /nfs/dbraw/zinc/82/57/94/479825794.db2.gz QWOKGMPUJUPTRJ-OLZOCXBDSA-N -1 3 340.470 2.636 20 30 EFEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C12CCCC2 ZINC000619548019 479825831 /nfs/dbraw/zinc/82/58/31/479825831.db2.gz QWOKGMPUJUPTRJ-QWHCGFSZSA-N -1 3 340.470 2.636 20 30 EFEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccccc2CC#N)C2CC2)n1 ZINC000619572777 479832541 /nfs/dbraw/zinc/83/25/41/479832541.db2.gz SWXQAVVGCZPKGT-HNNXBMFYSA-N -1 3 347.465 2.947 20 30 EFEDHM C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616176349 479843839 /nfs/dbraw/zinc/84/38/39/479843839.db2.gz HKXQNCXMCVXAKJ-IFXJQAMLSA-N -1 3 335.407 2.514 20 30 EFEDHM C=C[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C(=O)OC ZINC000619687287 479856388 /nfs/dbraw/zinc/85/63/88/479856388.db2.gz KPAXGPUTZXOEGW-NSHDSACASA-N -1 3 339.804 2.857 20 30 EFEDHM CC(C)c1cc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)on1 ZINC000613076417 479861888 /nfs/dbraw/zinc/86/18/88/479861888.db2.gz BDWYTKFTBMQHRW-UHFFFAOYSA-N -1 3 325.434 2.691 20 30 EFEDHM CC(C)(CC[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000617467130 480231139 /nfs/dbraw/zinc/23/11/39/480231139.db2.gz QQUMVASSQFIJKW-UHFFFAOYSA-N -1 3 329.425 2.599 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000614293092 480257096 /nfs/dbraw/zinc/25/70/96/480257096.db2.gz VCKWISNDILOFEC-IBGZPJMESA-N -1 3 335.407 2.831 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000614292934 480257133 /nfs/dbraw/zinc/25/71/33/480257133.db2.gz IYFVQAATTHUDNM-MRXNPFEDSA-N -1 3 341.436 2.892 20 30 EFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1cccc(C#N)c1 ZINC000610338857 480282366 /nfs/dbraw/zinc/28/23/66/480282366.db2.gz 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ZINC000651686282 481905147 /nfs/dbraw/zinc/90/51/47/481905147.db2.gz WMBWRKTXJHHEKO-QMTHXVAHSA-N -1 3 333.812 2.739 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000435592472 534353750 /nfs/dbraw/zinc/35/37/50/534353750.db2.gz LXJRNUYRFHEJNA-QMTHXVAHSA-N -1 3 333.812 2.739 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000435594434 534367975 /nfs/dbraw/zinc/36/79/75/534367975.db2.gz RJYKIAMCCNSKSX-IINYFYTJSA-N -1 3 333.812 2.739 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000435601394 534368498 /nfs/dbraw/zinc/36/84/98/534368498.db2.gz MDBUFYIASBFBJJ-XHDPSFHLSA-N -1 3 331.384 2.533 20 30 EFEDHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc(OC)c1O ZINC000426784696 534419196 /nfs/dbraw/zinc/41/91/96/534419196.db2.gz NJCRZDPWDFETON-QGZVFWFLSA-N -1 3 343.379 2.750 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)c1csc2ccccc12 ZINC000194552096 534427507 /nfs/dbraw/zinc/42/75/07/534427507.db2.gz PSKYLVQAHMGLII-UHFFFAOYSA-N -1 3 331.422 2.947 20 30 EFEDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000180194804 521691463 /nfs/dbraw/zinc/69/14/63/521691463.db2.gz RJWYQGSLMJFIEI-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM COC(=O)c1cc(C(=O)[N-]c2sccc2C#N)cc([N+](=O)[O-])c1 ZINC000014626668 521817554 /nfs/dbraw/zinc/81/75/54/521817554.db2.gz XQPFAVUGGONOGE-UHFFFAOYSA-N -1 3 331.309 2.567 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1c(C)noc1C ZINC000119285174 522903164 /nfs/dbraw/zinc/90/31/64/522903164.db2.gz VXUKAWHNXBEFCJ-CYBMUJFWSA-N -1 3 337.376 2.732 20 30 EFEDHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156458289 523198423 /nfs/dbraw/zinc/19/84/23/523198423.db2.gz LTWVEXBLNSRFHA-YPMHNXCESA-N -1 3 337.401 2.714 20 30 EFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)(C)C ZINC000180065323 523537225 /nfs/dbraw/zinc/53/72/25/523537225.db2.gz KMUYGNBPGGVJEB-ZDUSSCGKSA-N -1 3 330.837 2.551 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000150782960 525403565 /nfs/dbraw/zinc/40/35/65/525403565.db2.gz CVJNRASYOMZVNL-QWHCGFSZSA-N -1 3 329.444 2.833 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000150782932 525403963 /nfs/dbraw/zinc/40/39/63/525403963.db2.gz CVJNRASYOMZVNL-CHWSQXEVSA-N -1 3 329.444 2.833 20 30 EFEDHM COc1ccc2c(c1)[n-]cc(C(=O)N(C)Cc1cccc(C#N)c1)c2=O ZINC000076875073 525598368 /nfs/dbraw/zinc/59/83/68/525598368.db2.gz HLIDSVCXVJYINP-UHFFFAOYSA-N -1 3 347.374 2.681 20 30 EFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)[N-]OCc1ccccc1 ZINC000025039685 526275769 /nfs/dbraw/zinc/27/57/69/526275769.db2.gz ZIBRYAGZEQIIOA-UHFFFAOYSA-N -1 3 326.400 2.594 20 30 EFEDHM N#Cc1cc(F)c(NCCCNC(=O)c2cccc([O-])c2)c(F)c1 ZINC000078727545 526555658 /nfs/dbraw/zinc/55/56/58/526555658.db2.gz ATWWCKNWGAFBLN-UHFFFAOYSA-N -1 3 331.322 2.774 20 30 EFEDHM C=C(C)CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000161301033 526623434 /nfs/dbraw/zinc/62/34/34/526623434.db2.gz AOOGZPOKMNDXHV-UHFFFAOYSA-N -1 3 344.864 2.723 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccccc2)c1 ZINC000177996785 526633277 /nfs/dbraw/zinc/63/32/77/526633277.db2.gz LZFLHRUHHWVICD-UHFFFAOYSA-N -1 3 336.800 2.569 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(F)cc2)c1 ZINC000177993532 526633782 /nfs/dbraw/zinc/63/37/82/526633782.db2.gz VHMKAYFYKHDICD-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2F)cc1C(F)(F)F ZINC000120855641 526685478 /nfs/dbraw/zinc/68/54/78/526685478.db2.gz MSFDZKGCWUQLNB-UHFFFAOYSA-N -1 3 345.277 2.912 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1 ZINC000147582548 526685851 /nfs/dbraw/zinc/68/58/51/526685851.db2.gz SUAQHJAPRVIYCW-UHFFFAOYSA-N -1 3 338.186 2.517 20 30 EFEDHM N#Cc1ccsc1NC(=O)CSc1n[n-]c(-c2ccccn2)n1 ZINC000117112533 526771447 /nfs/dbraw/zinc/77/14/47/526771447.db2.gz JBLQTYGQIBAAKB-UHFFFAOYSA-N -1 3 342.409 2.531 20 30 EFEDHM C=CCOc1cccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000176106796 526919855 /nfs/dbraw/zinc/91/98/55/526919855.db2.gz VOGYAALFIJHUGX-UHFFFAOYSA-N -1 3 331.397 2.617 20 30 EFEDHM C=CCn1c(=O)[n-]nc1S[C@H](CC)C(=O)c1ccc(OC)cc1 ZINC000163625361 527285759 /nfs/dbraw/zinc/28/57/59/527285759.db2.gz JXNLKXHEBNAFRI-CYBMUJFWSA-N -1 3 333.413 2.520 20 30 EFEDHM CC1(C)COCCN1CC/N=C/c1cc(Br)ccc1[O-] ZINC000170839480 529131221 /nfs/dbraw/zinc/13/12/21/529131221.db2.gz ACTMOJHUHFSUMU-LICLKQGHSA-N -1 3 341.249 2.684 20 30 EFEDHM CCc1ccnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c1 ZINC000435651781 536011983 /nfs/dbraw/zinc/01/19/83/536011983.db2.gz XSOYFTZCDGGOCD-UHFFFAOYSA-N -1 3 335.816 2.648 20 30 EFEDHM COc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1C#N ZINC000352020782 536595604 /nfs/dbraw/zinc/59/56/04/536595604.db2.gz KNTDIRPMGGBJLM-DUXPYHPUSA-N -1 3 330.347 2.883 20 30 EFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc2c(c(Br)c1)OCO2 ZINC000417627468 546210251 /nfs/dbraw/zinc/21/02/51/546210251.db2.gz PNZZZMWVYIEGMZ-JTQLQIEISA-N -1 3 342.189 2.687 20 30 EFEDHM C=CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000657077013 547025644 /nfs/dbraw/zinc/02/56/44/547025644.db2.gz IRRVOBRUVRYQNJ-UHFFFAOYSA-N -1 3 333.837 2.610 20 30 EFEDHM O=S(=O)(CCC(F)(F)F)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000671176663 547539587 /nfs/dbraw/zinc/53/95/87/547539587.db2.gz YQRYYZGSNQGBCI-UHFFFAOYSA-N -1 3 339.232 2.615 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2cccc(CN3CCOCC3)c2)n1 ZINC000672579909 547770535 /nfs/dbraw/zinc/77/05/35/547770535.db2.gz NUBTXIRINDGGPE-MRXNPFEDSA-N -1 3 341.436 2.774 20 30 EFEDHM N#C[C@]1(F)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000682549012 549763042 /nfs/dbraw/zinc/76/30/42/549763042.db2.gz GUEXFRQDNXKNPM-LJQANCHMSA-N -1 3 338.338 2.701 20 30 EFEDHM C#CCOc1cc(F)ccc1NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000754428163 575434924 /nfs/dbraw/zinc/43/49/24/575434924.db2.gz ADACACNHKWAWEG-UHFFFAOYSA-N -1 3 345.326 2.813 20 30 EFEDHM CCCCCCCOC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000754523543 575446956 /nfs/dbraw/zinc/44/69/56/575446956.db2.gz PGIMHNIMEMEPJO-GOSISDBHSA-N -1 3 332.400 2.868 20 30 EFEDHM Cc1cc2c(c(C)c1)NC(=O)C2=N[N-]c1ccc(C(F)(F)F)nn1 ZINC000754711701 575475712 /nfs/dbraw/zinc/47/57/12/575475712.db2.gz VFUDZHPFNCDHLP-UHFFFAOYSA-N -1 3 335.289 2.881 20 30 EFEDHM C=CC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccncc1 ZINC000755173862 575556454 /nfs/dbraw/zinc/55/64/54/575556454.db2.gz NHCQQNGGBZEEQZ-INIZCTEOSA-N -1 3 325.368 2.793 20 30 EFEDHM COC(=O)c1cccc(CSCc2nc(C)cc(=O)[n-]2)c1C#N ZINC000755423324 575585244 /nfs/dbraw/zinc/58/52/44/575585244.db2.gz IKCVDGGQKSLXHP-UHFFFAOYSA-N -1 3 329.381 2.582 20 30 EFEDHM COc1ccc(NC(=S)NN=Cc2c([O-])cccc2Cl)cn1 ZINC000755699526 575620191 /nfs/dbraw/zinc/62/01/91/575620191.db2.gz LUABFRSOUCOIOJ-UHFFFAOYSA-N -1 3 336.804 2.770 20 30 EFEDHM CCCCCCCOC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000756226243 575704383 /nfs/dbraw/zinc/70/43/83/575704383.db2.gz HNERJYCADKJRDR-GOSISDBHSA-N -1 3 332.400 2.868 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C\c2ccc(F)c(C#N)c2)cc1 ZINC000756264808 575709413 /nfs/dbraw/zinc/70/94/13/575709413.db2.gz ZUARBTZUTMKIHZ-OQFOIZHKSA-N -1 3 344.367 2.965 20 30 EFEDHM CC(=O)N1CC[C@@H](/N=C\c2c([O-])c(C)ncc2CO)c2ccccc21 ZINC000756845671 575791393 /nfs/dbraw/zinc/79/13/93/575791393.db2.gz DZBLVRZNBWYVGW-HQOKVJKCSA-N -1 3 339.395 2.505 20 30 EFEDHM C#CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)c1ccccc1 ZINC000756976198 575807230 /nfs/dbraw/zinc/80/72/30/575807230.db2.gz RIOXUOUBGGZYTH-ZDUSSCGKSA-N -1 3 349.433 2.578 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@@H](O)c2cc3ccccc3s2)c1[O-] ZINC000757524634 575841420 /nfs/dbraw/zinc/84/14/20/575841420.db2.gz ANWWKDIZHHHIFF-XXZGICNZSA-N -1 3 342.420 2.955 20 30 EFEDHM CCc1noc(C)c1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000757983147 575857358 /nfs/dbraw/zinc/85/73/58/575857358.db2.gz FAONMCVJSZNYRZ-UHFFFAOYSA-N -1 3 343.383 2.811 20 30 EFEDHM Cc1cc([O-])ccc1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000758532949 575871812 /nfs/dbraw/zinc/87/18/12/575871812.db2.gz ZOBFADGAVGYUBQ-CQSZACIVSA-N -1 3 342.376 2.596 20 30 EFEDHM COC(=O)[C@H](OC(=O)c1ccc([O-])cc1C)c1cccc(C#N)c1 ZINC000758546980 575872302 /nfs/dbraw/zinc/87/23/02/575872302.db2.gz OOOHBUZJBBEPCD-MRXNPFEDSA-N -1 3 325.320 2.643 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2ccccc2-c2cnn(C)c2)c1[O-] ZINC000759034338 575883169 /nfs/dbraw/zinc/88/31/69/575883169.db2.gz CIWBHNXXNIVUIS-KEBDBYFISA-N -1 3 336.395 2.608 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2ccccc2-c2cnn(C)c2)c1[O-] ZINC000759034337 575883174 /nfs/dbraw/zinc/88/31/74/575883174.db2.gz CIWBHNXXNIVUIS-JMIUGGIZSA-N -1 3 336.395 2.608 20 30 EFEDHM Cc1cc(C#N)ccc1COC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000759463382 575892354 /nfs/dbraw/zinc/89/23/54/575892354.db2.gz HFJOEAGVFSTXNB-UHFFFAOYSA-N -1 3 344.392 2.595 20 30 EFEDHM C#CCSCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000760593643 576051541 /nfs/dbraw/zinc/05/15/41/576051541.db2.gz WUCCJQYMBUDEBK-UHFFFAOYSA-N -1 3 327.402 2.525 20 30 EFEDHM C#CCCN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000760828353 576078354 /nfs/dbraw/zinc/07/83/54/576078354.db2.gz SFYZIGJPGXKFPF-UHFFFAOYSA-N -1 3 328.437 2.943 20 30 EFEDHM COc1ccc(C=NN=C(C)c2cnccn2)c(Br)c1[O-] ZINC000761012422 576101110 /nfs/dbraw/zinc/10/11/10/576101110.db2.gz NGWLWTFWUOYDMT-UHFFFAOYSA-N -1 3 349.188 2.796 20 30 EFEDHM Cc1nc2sc3c(c2c([N-]N=C2CCN(C)C2=O)n1)CCCC3 ZINC000761750361 576208298 /nfs/dbraw/zinc/20/82/98/576208298.db2.gz ZJPXILZQFFMGQD-UHFFFAOYSA-N -1 3 329.429 2.509 20 30 EFEDHM C#CCOc1ccccc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000761995210 576240249 /nfs/dbraw/zinc/24/02/49/576240249.db2.gz IKVJZMOUIQTIEI-UHFFFAOYSA-N -1 3 336.303 2.850 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762040453 576247742 /nfs/dbraw/zinc/24/77/42/576247742.db2.gz PSVDSHYTJPTFRX-HZPDHXFCSA-N -1 3 335.363 2.547 20 30 EFEDHM CC1=CC(=O)C(=C([O-])C=Cc2nc(C(C)C)n3ccccc23)C(=O)O1 ZINC000762601518 576316747 /nfs/dbraw/zinc/31/67/47/576316747.db2.gz BDFWJSOGJBAING-OZSKJFCKSA-N -1 3 338.363 2.686 20 30 EFEDHM Cc1cc([O-])c(C(=O)C=Cc2nc(C(C)C)n3ccccc23)c(=O)o1 ZINC000762601518 576316749 /nfs/dbraw/zinc/31/67/49/576316749.db2.gz BDFWJSOGJBAING-OZSKJFCKSA-N -1 3 338.363 2.686 20 30 EFEDHM COc1cc(C(=O)Nc2ccccc2O[C@@H](C)C#N)cc(OC)c1[O-] ZINC000762663138 576322274 /nfs/dbraw/zinc/32/22/74/576322274.db2.gz VZUFNEMLNSPCNF-NSHDSACASA-N -1 3 342.351 2.953 20 30 EFEDHM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(OCCN(C)C)cc1 ZINC000763367956 576374432 /nfs/dbraw/zinc/37/44/32/576374432.db2.gz JMYVVRMZAUFBQS-UHFFFAOYSA-N -1 3 342.399 2.556 20 30 EFEDHM COc1ncccc1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000764301332 576447001 /nfs/dbraw/zinc/44/70/01/576447001.db2.gz HSSSMZQHHQGCDJ-UHFFFAOYSA-N -1 3 332.703 2.776 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@](C)(O)c2cccc(Cl)c2)c1[O-] ZINC000764890016 576517879 /nfs/dbraw/zinc/51/78/79/576517879.db2.gz YJLISKPBMCJSML-WKXPIEGGSA-N -1 3 334.803 2.568 20 30 EFEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCc3cn(C(C)C)nc32)c1[O-] ZINC000764887506 576518029 /nfs/dbraw/zinc/51/80/29/576518029.db2.gz NLZDMRNSGDICRY-AAOXPJKVSA-N -1 3 328.416 2.862 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@](C)(O)c2cccc(Cl)c2)c1[O-] ZINC000764890015 576518075 /nfs/dbraw/zinc/51/80/75/576518075.db2.gz YJLISKPBMCJSML-RZWALYHJSA-N -1 3 334.803 2.568 20 30 EFEDHM C=CCCC[C@@H](C)OC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000765486768 577046152 /nfs/dbraw/zinc/04/61/52/577046152.db2.gz NNWVVGNJTAEIRE-XIKOKIGWSA-N -1 3 330.384 2.643 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C2CC(OCc3ccccc3)C2)c1[O-] ZINC000766008404 577098141 /nfs/dbraw/zinc/09/81/41/577098141.db2.gz GTODAEOUJDYJQZ-FBHDLOMBSA-N -1 3 326.396 2.755 20 30 EFEDHM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)C1(C)C ZINC000766081966 577105072 /nfs/dbraw/zinc/10/50/72/577105072.db2.gz VYXUDQGOIDYHIC-GJZGRUSLSA-N -1 3 340.420 2.568 20 30 EFEDHM COc1cc(C=NNc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1[O-] ZINC000767033640 577193177 /nfs/dbraw/zinc/19/31/77/577193177.db2.gz PVPWYWGPDFXRSL-UHFFFAOYSA-N -1 3 332.272 2.663 20 30 EFEDHM COc1cc(CN=Nc2nncc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000767059579 577194565 /nfs/dbraw/zinc/19/45/65/577194565.db2.gz SYPPMUBRTBROMR-UHFFFAOYSA-N -1 3 339.311 2.698 20 30 EFEDHM COc1cc(C=NNc2nncc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000767059579 577194567 /nfs/dbraw/zinc/19/45/67/577194567.db2.gz SYPPMUBRTBROMR-UHFFFAOYSA-N -1 3 339.311 2.698 20 30 EFEDHM COc1cccc([C@H](C#N)NC(=O)c2cc(C)ccc2[O-])c1OC ZINC000768152823 577258000 /nfs/dbraw/zinc/25/80/00/577258000.db2.gz PRFHOLMPVIBGKI-AWEZNQCLSA-N -1 3 326.352 2.713 20 30 EFEDHM CCOc1ccc(CN2CCN(c3ccccc3C#N)CC2)c([O-])c1 ZINC000768241229 577262540 /nfs/dbraw/zinc/26/25/40/577262540.db2.gz PVBMWYGCGMVKOZ-UHFFFAOYSA-N -1 3 337.423 2.985 20 30 EFEDHM N#Cc1ccc(NC(=S)NN=c2cncc(Cl)[n-]2)cc1Cl ZINC000726465107 577367786 /nfs/dbraw/zinc/36/77/86/577367786.db2.gz JCQIDFCUOBPXGW-UHFFFAOYSA-N -1 3 339.211 2.969 20 30 EFEDHM CCc1cccc(C(=O)N[C@H](C#N)c2cccc(OC)c2OC)c1[O-] ZINC000769769560 577383955 /nfs/dbraw/zinc/38/39/55/577383955.db2.gz VJJRVHZCZVIXEF-OAHLLOKOSA-N -1 3 340.379 2.966 20 30 EFEDHM COc1cccc(S(C)(=O)=O)c1N=NC(C)c1sccc1[O-] ZINC000769803760 577386339 /nfs/dbraw/zinc/38/63/39/577386339.db2.gz YUXLEJOMNOIMSN-UHFFFAOYSA-N -1 3 340.426 2.702 20 30 EFEDHM C=CCN1C(=O)/C(=C/c2cc(C(=O)OC)ccc2[O-])SC1=S ZINC000726787626 577386396 /nfs/dbraw/zinc/38/63/96/577386396.db2.gz QANVHMQPRJEAKR-WQLSENKSSA-N -1 3 335.406 2.566 20 30 EFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1ccc(C#N)cc1)[n-]c2=O ZINC000769810201 577387162 /nfs/dbraw/zinc/38/71/62/577387162.db2.gz LZQJQTIDGREZHV-UHFFFAOYSA-N -1 3 335.371 2.605 20 30 EFEDHM CCCn1cccc1CN=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1 ZINC000769810841 577387170 /nfs/dbraw/zinc/38/71/70/577387170.db2.gz USBCYPMFAXTPBQ-UHFFFAOYSA-N -1 3 341.419 2.944 20 30 EFEDHM COc1cc(C)nc(N=NCc2cc([O-])ccc2Br)n1 ZINC000769820422 577387850 /nfs/dbraw/zinc/38/78/50/577387850.db2.gz DWWKJDLYOJCBAE-UHFFFAOYSA-N -1 3 337.177 2.708 20 30 EFEDHM Cc1ccc(F)c2c1C(=NNc1ccc(F)c([N+](=O)[O-])c1)C(=O)[N-]2 ZINC000769828929 577388284 /nfs/dbraw/zinc/38/82/84/577388284.db2.gz LPUNFKCIQJPXQN-UHFFFAOYSA-N -1 3 332.266 2.950 20 30 EFEDHM CCC(CC)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)n1 ZINC000770055634 577399754 /nfs/dbraw/zinc/39/97/54/577399754.db2.gz SSWLJUHLSHLHDL-CYBMUJFWSA-N -1 3 325.372 2.600 20 30 EFEDHM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737698213 577406454 /nfs/dbraw/zinc/40/64/54/577406454.db2.gz VAYHZEZSAOOYKE-WTKPLQERSA-N -1 3 331.335 2.665 20 30 EFEDHM N#CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737698213 577406455 /nfs/dbraw/zinc/40/64/55/577406455.db2.gz VAYHZEZSAOOYKE-WTKPLQERSA-N -1 3 331.335 2.665 20 30 EFEDHM Fc1cccc(C=NOCCCOc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737664792 577412556 /nfs/dbraw/zinc/41/25/56/577412556.db2.gz DOQVJDUCHVCGFC-UHFFFAOYSA-N -1 3 341.346 2.825 20 30 EFEDHM Fc1cccc(C=NOCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737664792 577412558 /nfs/dbraw/zinc/41/25/58/577412558.db2.gz DOQVJDUCHVCGFC-UHFFFAOYSA-N -1 3 341.346 2.825 20 30 EFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000770377547 577413818 /nfs/dbraw/zinc/41/38/18/577413818.db2.gz ZORHFMQKARUSMC-JTQLQIEISA-N -1 3 326.468 2.870 20 30 EFEDHM C=CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000727040054 577431344 /nfs/dbraw/zinc/43/13/44/577431344.db2.gz ZXBADJVDKIFUHG-UHFFFAOYSA-N -1 3 335.356 2.969 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770569242 581111620 /nfs/dbraw/zinc/11/16/20/581111620.db2.gz TWRDKOPVRAYQBN-FKPVXGFXSA-N -1 3 340.217 2.912 20 30 EFEDHM CCOc1cc(C=NNC[C@@H](C)C#N)cc(Br)c1[O-] ZINC000771098866 581175122 /nfs/dbraw/zinc/17/51/22/581175122.db2.gz NLNSXIARDZRLBP-VIFPVBQESA-N -1 3 326.194 2.637 20 30 EFEDHM C=C(C)[C@H]1CC=C(COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)CC1 ZINC000771618771 581227460 /nfs/dbraw/zinc/22/74/60/581227460.db2.gz LSQGZCUYASBASC-GJZGRUSLSA-N -1 3 343.489 2.796 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)[C@H]1CCCO1 ZINC000773054392 581391398 /nfs/dbraw/zinc/39/13/98/581391398.db2.gz KENIHKVPBPAJFA-ZIAGYGMSSA-N -1 3 348.251 2.594 20 30 EFEDHM COc1c([O-])c(C=NNc2ccnc3ccccc32)ccc1[N+](=O)[O-] ZINC000773053667 581391421 /nfs/dbraw/zinc/39/14/21/581391421.db2.gz MEKPKSLMLHWHII-UHFFFAOYSA-N -1 3 338.323 2.725 20 30 EFEDHM C=CCCC[C@H](C)OC(=O)c1cnc2c(c1)c(=O)[n-]c(=O)n2C1CC1 ZINC000773878604 581471713 /nfs/dbraw/zinc/47/17/13/581471713.db2.gz LUAXLOCVADEQEA-NSHDSACASA-N -1 3 343.383 2.734 20 30 EFEDHM COc1cc(C=NOC2CCOCC2)c(Br)cc1[O-] ZINC000774445772 581491658 /nfs/dbraw/zinc/49/16/58/581491658.db2.gz WWWOXJYKGYOEHE-UHFFFAOYSA-N -1 3 330.178 2.693 20 30 EFEDHM COc1cc(C=NOC2CCOCC2)cc(Br)c1[O-] ZINC000774443172 581491698 /nfs/dbraw/zinc/49/16/98/581491698.db2.gz WTZRDGBRGNJGAF-UHFFFAOYSA-N -1 3 330.178 2.693 20 30 EFEDHM Cn1ccnc(NN=Cc2cc(Cl)c3ccccc3c2[O-])c1=O ZINC000774587134 581494761 /nfs/dbraw/zinc/49/47/61/581494761.db2.gz KXURJLSTGVSTOM-UHFFFAOYSA-N -1 3 328.759 2.739 20 30 EFEDHM Cn1cc[nH]c(=NN=Cc2cc(Cl)c3ccccc3c2[O-])c1=O ZINC000774587134 581494762 /nfs/dbraw/zinc/49/47/62/581494762.db2.gz KXURJLSTGVSTOM-UHFFFAOYSA-N -1 3 328.759 2.739 20 30 EFEDHM CCc1sc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC000736713629 598921037 /nfs/dbraw/zinc/92/10/37/598921037.db2.gz PUZDDZYKACPTPT-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1sc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C ZINC000736713629 598921038 /nfs/dbraw/zinc/92/10/38/598921038.db2.gz PUZDDZYKACPTPT-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCCOc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000736491403 598925289 /nfs/dbraw/zinc/92/52/89/598925289.db2.gz BBVBCTRFCMWOMB-UHFFFAOYSA-N -1 3 348.366 2.779 20 30 EFEDHM CCCOc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000736491403 598925291 /nfs/dbraw/zinc/92/52/91/598925291.db2.gz BBVBCTRFCMWOMB-UHFFFAOYSA-N -1 3 348.366 2.779 20 30 EFEDHM CC(C)Oc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735912379 598926482 /nfs/dbraw/zinc/92/64/82/598926482.db2.gz ATTFUCVLBDDMJD-UHFFFAOYSA-N -1 3 348.366 2.778 20 30 EFEDHM CC(C)Oc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735912379 598926484 /nfs/dbraw/zinc/92/64/84/598926484.db2.gz ATTFUCVLBDDMJD-UHFFFAOYSA-N -1 3 348.366 2.778 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc3c(s2)CCC3)ccc1-c1nnn[n-]1 ZINC000737708637 598928865 /nfs/dbraw/zinc/92/88/65/598928865.db2.gz HPBLGXRNQNQCBD-UHFFFAOYSA-N -1 3 336.380 2.541 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc3c(s2)CCC3)ccc1-c1nn[n-]n1 ZINC000737708637 598928867 /nfs/dbraw/zinc/92/88/67/598928867.db2.gz HPBLGXRNQNQCBD-UHFFFAOYSA-N -1 3 336.380 2.541 20 30 EFEDHM CC1(C)Cc2occc2C(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820586671 607253397 /nfs/dbraw/zinc/25/33/97/607253397.db2.gz YNWAGDUGYMOHDF-UHFFFAOYSA-N -1 3 336.399 2.926 20 30 EFEDHM CC1(C)Cc2occc2C(=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820586671 607253398 /nfs/dbraw/zinc/25/33/98/607253398.db2.gz YNWAGDUGYMOHDF-UHFFFAOYSA-N -1 3 336.399 2.926 20 30 EFEDHM C=CCNC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735432845 598962124 /nfs/dbraw/zinc/96/21/24/598962124.db2.gz WRFYIOYQKMXLHQ-UHFFFAOYSA-N -1 3 349.398 2.786 20 30 EFEDHM C=CCNC(=O)Nc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735432845 598962126 /nfs/dbraw/zinc/96/21/26/598962126.db2.gz WRFYIOYQKMXLHQ-UHFFFAOYSA-N -1 3 349.398 2.786 20 30 EFEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000823503887 599117070 /nfs/dbraw/zinc/11/70/70/599117070.db2.gz JZSSKWOZQULTEO-UKTHLTGXSA-N -1 3 347.334 2.987 20 30 EFEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000823503887 599117073 /nfs/dbraw/zinc/11/70/73/599117073.db2.gz JZSSKWOZQULTEO-UKTHLTGXSA-N -1 3 347.334 2.987 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1-c1nnn[n-]1 ZINC000737716157 599192379 /nfs/dbraw/zinc/19/23/79/599192379.db2.gz LQOIRVQNNLJIQV-CQSZACIVSA-N -1 3 348.391 2.566 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1-c1nn[n-]n1 ZINC000737716157 599192381 /nfs/dbraw/zinc/19/23/81/599192381.db2.gz LQOIRVQNNLJIQV-CQSZACIVSA-N -1 3 348.391 2.566 20 30 EFEDHM CCCCSCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736462470 599193961 /nfs/dbraw/zinc/19/39/61/599193961.db2.gz GOFBTSRKOCYKCZ-UHFFFAOYSA-N -1 3 330.417 2.600 20 30 EFEDHM CCCCSCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736462470 599193964 /nfs/dbraw/zinc/19/39/64/599193964.db2.gz GOFBTSRKOCYKCZ-UHFFFAOYSA-N -1 3 330.417 2.600 20 30 EFEDHM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccc(C#N)cc1 ZINC000736137970 599271301 /nfs/dbraw/zinc/27/13/01/599271301.db2.gz MVKUTUMLPMHNDJ-GFCCVEGCSA-N -1 3 341.378 2.882 20 30 EFEDHM C[C@@H](Nc1c(-c2nn[n-]n2)cnc2ccccc21)c1ccc(C#N)cc1 ZINC000736137970 599271302 /nfs/dbraw/zinc/27/13/02/599271302.db2.gz MVKUTUMLPMHNDJ-GFCCVEGCSA-N -1 3 341.378 2.882 20 30 EFEDHM O=c1[nH]c2ccccc2cc1C=NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738401430 598296784 /nfs/dbraw/zinc/29/67/84/598296784.db2.gz SGEKZJNLWJRECZ-JMIUGGIZSA-N -1 3 348.341 2.879 20 30 EFEDHM O=c1[nH]c2ccccc2cc1C=NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738401430 598296787 /nfs/dbraw/zinc/29/67/87/598296787.db2.gz SGEKZJNLWJRECZ-JMIUGGIZSA-N -1 3 348.341 2.879 20 30 EFEDHM N#Cc1c(COc2ccc(-c3nnn[n-]3)c(F)c2)cn2ccccc12 ZINC000737706003 598551976 /nfs/dbraw/zinc/55/19/76/598551976.db2.gz SQHFAZKOYCEBAJ-UHFFFAOYSA-N -1 3 334.314 2.709 20 30 EFEDHM N#Cc1c(COc2ccc(-c3nn[n-]n3)c(F)c2)cn2ccccc12 ZINC000737706003 598551978 /nfs/dbraw/zinc/55/19/78/598551978.db2.gz SQHFAZKOYCEBAJ-UHFFFAOYSA-N -1 3 334.314 2.709 20 30 EFEDHM N#Cc1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1F ZINC000737704379 598588011 /nfs/dbraw/zinc/58/80/11/598588011.db2.gz HVRIYPAKSROSQL-VMPITWQZSA-N -1 3 334.314 2.529 20 30 EFEDHM N#Cc1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1F ZINC000737704379 598588013 /nfs/dbraw/zinc/58/80/13/598588013.db2.gz HVRIYPAKSROSQL-VMPITWQZSA-N -1 3 334.314 2.529 20 30 EFEDHM N#Cc1ccc(OCCCNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737721501 598602743 /nfs/dbraw/zinc/60/27/43/598602743.db2.gz KLVWQSVQTZHIAK-UHFFFAOYSA-N -1 3 338.346 2.758 20 30 EFEDHM N#Cc1ccc(OCCCNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737721501 598602745 /nfs/dbraw/zinc/60/27/45/598602745.db2.gz KLVWQSVQTZHIAK-UHFFFAOYSA-N -1 3 338.346 2.758 20 30 EFEDHM C=C(C)CN(CC)C(=O)CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735398527 598697464 /nfs/dbraw/zinc/69/74/64/598697464.db2.gz IIRJPIPGJRWCPV-UHFFFAOYSA-N -1 3 349.435 2.664 20 30 EFEDHM C=C(C)CN(CC)C(=O)CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735398527 598697466 /nfs/dbraw/zinc/69/74/66/598697466.db2.gz IIRJPIPGJRWCPV-UHFFFAOYSA-N -1 3 349.435 2.664 20 30 EFEDHM Cc1cc(C#N)ccc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737231605 598698738 /nfs/dbraw/zinc/69/87/38/598698738.db2.gz QPTCTJLWFHXMRW-UHFFFAOYSA-N -1 3 335.367 2.895 20 30 EFEDHM CCCCCCCC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825270804 607365228 /nfs/dbraw/zinc/36/52/28/607365228.db2.gz DNMWQZFWDRNJND-UHFFFAOYSA-N -1 3 330.388 2.953 20 30 EFEDHM CCCCCCCC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825270804 607365230 /nfs/dbraw/zinc/36/52/30/607365230.db2.gz DNMWQZFWDRNJND-UHFFFAOYSA-N -1 3 330.388 2.953 20 30 EFEDHM N#Cc1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737718292 598756004 /nfs/dbraw/zinc/75/60/04/598756004.db2.gz NIRFZPUAMBALQH-UHFFFAOYSA-N -1 3 346.394 2.786 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000819740278 599343296 /nfs/dbraw/zinc/34/32/96/599343296.db2.gz XBSSHOYKJNTZLM-LBPRGKRZSA-N -1 3 329.429 2.548 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000819740278 599343300 /nfs/dbraw/zinc/34/33/00/599343300.db2.gz XBSSHOYKJNTZLM-LBPRGKRZSA-N -1 3 329.429 2.548 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820461242 599355125 /nfs/dbraw/zinc/35/51/25/599355125.db2.gz GHMHGVVQDWPNHN-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820461242 599355127 /nfs/dbraw/zinc/35/51/27/599355127.db2.gz GHMHGVVQDWPNHN-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM CN(Cc1cccc(C#N)c1)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000736821919 599405184 /nfs/dbraw/zinc/40/51/84/599405184.db2.gz ICNOYWXDIDMQKX-UHFFFAOYSA-N -1 3 341.378 2.923 20 30 EFEDHM CN(Cc1cccc(C#N)c1)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000736821919 599405186 /nfs/dbraw/zinc/40/51/86/599405186.db2.gz ICNOYWXDIDMQKX-UHFFFAOYSA-N -1 3 341.378 2.923 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1COc1cc(Cl)ccc1C#N ZINC000821749446 607380065 /nfs/dbraw/zinc/38/00/65/607380065.db2.gz MUVLUVCLCNOLDQ-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1COc1cc(Cl)ccc1C#N ZINC000821749446 607380067 /nfs/dbraw/zinc/38/00/67/607380067.db2.gz MUVLUVCLCNOLDQ-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)[O-])cc1 ZINC000736890418 599798513 /nfs/dbraw/zinc/79/85/13/599798513.db2.gz APHBDLJVDITYHT-WFASDCNBSA-N -1 3 345.399 2.895 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000826251718 607401215 /nfs/dbraw/zinc/40/12/15/607401215.db2.gz YOBUKHMLNMQUMU-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000826251718 607401216 /nfs/dbraw/zinc/40/12/16/607401216.db2.gz YOBUKHMLNMQUMU-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1cc(C#N)ccc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826257000 607408735 /nfs/dbraw/zinc/40/87/35/607408735.db2.gz JQJHIVJXYXQIRT-HJWRWDBZSA-N -1 3 345.362 2.803 20 30 EFEDHM Cc1cc(C#N)ccc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826257000 607408736 /nfs/dbraw/zinc/40/87/36/607408736.db2.gz JQJHIVJXYXQIRT-HJWRWDBZSA-N -1 3 345.362 2.803 20 30 EFEDHM CC(C)(C)OC(=O)C1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736261690 600567438 /nfs/dbraw/zinc/56/74/38/600567438.db2.gz FXFIXIDWSQNZOM-MRXNPFEDSA-N -1 3 344.411 2.738 20 30 EFEDHM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737204059 600593595 /nfs/dbraw/zinc/59/35/95/600593595.db2.gz QTDQWPJTGXOORW-SFHVURJKSA-N -1 3 340.379 2.881 20 30 EFEDHM CCC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736849941 600594585 /nfs/dbraw/zinc/59/45/85/600594585.db2.gz ZCIFFDNCQOWBGW-GOSISDBHSA-N -1 3 337.379 2.822 20 30 EFEDHM N#Cc1ccc([C@H](NCc2cccc(Cn3cccn3)c2)C(=O)[O-])cc1 ZINC000739105233 600595953 /nfs/dbraw/zinc/59/59/53/600595953.db2.gz FLBYXHRDZWEHAW-IBGZPJMESA-N -1 3 346.390 2.719 20 30 EFEDHM C[C@@](O)(CN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(=O)[O-] ZINC000736669902 600763108 /nfs/dbraw/zinc/76/31/08/600763108.db2.gz BRGUYSVJXXILPV-LJQANCHMSA-N -1 3 342.370 2.535 20 30 EFEDHM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000827718118 601297401 /nfs/dbraw/zinc/29/74/01/601297401.db2.gz OWVLVBWJRQGOQT-XIKOKIGWSA-N -1 3 338.363 2.806 20 30 EFEDHM CC(=O)Nc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000825913373 601299323 /nfs/dbraw/zinc/29/93/23/601299323.db2.gz QMGXKROETWBAOO-XIKOKIGWSA-N -1 3 337.379 2.993 20 30 EFEDHM CC(=O)N1CC[C@H](N[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC000833393795 604631508 /nfs/dbraw/zinc/63/15/08/604631508.db2.gz MFTHKCLNPFEQNP-HKUYNNGSSA-N -1 3 349.390 2.771 20 30 EFEDHM CC(=O)N1CC[C@@H](N[C@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC000833393798 604631667 /nfs/dbraw/zinc/63/16/67/604631667.db2.gz MFTHKCLNPFEQNP-MJGOQNOKSA-N -1 3 349.390 2.771 20 30 EFEDHM CC(=O)N1CC[C@@H](N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21 ZINC000833393180 604631786 /nfs/dbraw/zinc/63/17/86/604631786.db2.gz HKVQOTBOILQGSF-IEBWSBKVSA-N -1 3 349.390 2.771 20 30 EFEDHM C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409931 604945630 /nfs/dbraw/zinc/94/56/30/604945630.db2.gz TUDWRXFUJCNAEM-HIFRSBDPSA-N -1 3 343.427 2.708 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CN[C@H](C(=O)[O-])c2cccnc2)c1 ZINC000828587891 605001933 /nfs/dbraw/zinc/00/19/33/605001933.db2.gz YJURUFIXXQPNDD-RDJZCZTQSA-N -1 3 325.368 2.678 20 30 EFEDHM C=C(C)CN(CC)C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC000833369334 605179202 /nfs/dbraw/zinc/17/92/02/605179202.db2.gz ROUDCYLCEIUMPH-QGZVFWFLSA-N -1 3 332.444 2.853 20 30 EFEDHM C=CCOc1ccc(CN2CC[C@@H](OC)C[C@H]2C(=O)[O-])cc1Cl ZINC000833378056 605487451 /nfs/dbraw/zinc/48/74/51/605487451.db2.gz WXSSUWNGHIJVQG-HIFRSBDPSA-N -1 3 339.819 2.969 20 30 EFEDHM CC(C)(C)c1nc(C#N)c(N=NCc2cc(-c3nnn[n-]3)cs2)o1 ZINC000819965299 606205312 /nfs/dbraw/zinc/20/53/12/606205312.db2.gz AIZXNPLJAWGJTP-UHFFFAOYSA-N -1 3 342.388 2.531 20 30 EFEDHM CC(C)(C)c1nc(C#N)c(N=NCc2cc(-c3nn[n-]n3)cs2)o1 ZINC000819965299 606205313 /nfs/dbraw/zinc/20/53/13/606205313.db2.gz AIZXNPLJAWGJTP-UHFFFAOYSA-N -1 3 342.388 2.531 20 30 EFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000819817498 606301475 /nfs/dbraw/zinc/30/14/75/606301475.db2.gz JFJODVCVTWAWQD-WAYWQWQTSA-N -1 3 339.380 2.783 20 30 EFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000819817498 606301477 /nfs/dbraw/zinc/30/14/77/606301477.db2.gz JFJODVCVTWAWQD-WAYWQWQTSA-N -1 3 339.380 2.783 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821839356 606301958 /nfs/dbraw/zinc/30/19/58/606301958.db2.gz UPQQAHPXNACJRD-PLNGDYQASA-N -1 3 342.380 2.842 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821839356 606301959 /nfs/dbraw/zinc/30/19/59/606301959.db2.gz UPQQAHPXNACJRD-PLNGDYQASA-N -1 3 342.380 2.842 20 30 EFEDHM C=C(C)CN1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000819722686 606335109 /nfs/dbraw/zinc/33/51/09/606335109.db2.gz OGMRAQPMMYNGBZ-WMZJFQQLSA-N -1 3 349.466 2.706 20 30 EFEDHM C=C(C)CN1C(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)SC1=S ZINC000819722686 606335110 /nfs/dbraw/zinc/33/51/10/606335110.db2.gz OGMRAQPMMYNGBZ-WMZJFQQLSA-N -1 3 349.466 2.706 20 30 EFEDHM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c(F)c1 ZINC000821770823 606386912 /nfs/dbraw/zinc/38/69/12/606386912.db2.gz XSRDGRGLBQBGDK-ZZXKWVIFSA-N -1 3 330.344 2.972 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000822922016 606388176 /nfs/dbraw/zinc/38/81/76/606388176.db2.gz BUYNJFUMDUSTOV-FNORWQNLSA-N -1 3 327.325 2.733 20 30 EFEDHM Cc1sc(NC(=O)c2ccc(C#N)s2)c(-c2nnn[n-]2)c1C ZINC000822564288 606491107 /nfs/dbraw/zinc/49/11/07/606491107.db2.gz YONPISXFLIPVGR-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Cc1sc(NC(=O)c2ccc(C#N)s2)c(-c2nn[n-]n2)c1C ZINC000822564288 606491108 /nfs/dbraw/zinc/49/11/08/606491108.db2.gz YONPISXFLIPVGR-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1oc(C)cc1C ZINC000819745629 606537657 /nfs/dbraw/zinc/53/76/57/606537657.db2.gz MSBBVXGSVQKPEF-UHFFFAOYSA-N -1 3 337.383 2.905 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1oc(C)cc1C ZINC000819745629 606537658 /nfs/dbraw/zinc/53/76/58/606537658.db2.gz MSBBVXGSVQKPEF-UHFFFAOYSA-N -1 3 337.383 2.905 20 30 EFEDHM N#CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822810704 606708844 /nfs/dbraw/zinc/70/88/44/606708844.db2.gz LPCUHNVTIIWNNN-UHFFFAOYSA-N -1 3 342.309 2.659 20 30 EFEDHM N#CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822810704 606708847 /nfs/dbraw/zinc/70/88/47/606708847.db2.gz LPCUHNVTIIWNNN-UHFFFAOYSA-N -1 3 342.309 2.659 20 30 EFEDHM C=C[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819729512 606813938 /nfs/dbraw/zinc/81/39/38/606813938.db2.gz IEAJQPIREQNHAF-ZDUSSCGKSA-N -1 3 349.394 2.750 20 30 EFEDHM C=C[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819729512 606813939 /nfs/dbraw/zinc/81/39/39/606813939.db2.gz IEAJQPIREQNHAF-ZDUSSCGKSA-N -1 3 349.394 2.750 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)CCO2 ZINC000821849290 606836163 /nfs/dbraw/zinc/83/61/63/606836163.db2.gz BZHSUBWMNYPXEA-UKTHLTGXSA-N -1 3 348.362 2.924 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CCO2 ZINC000821849290 606836165 /nfs/dbraw/zinc/83/61/65/606836165.db2.gz BZHSUBWMNYPXEA-UKTHLTGXSA-N -1 3 348.362 2.924 20 30 EFEDHM C=CCC(CC=C)C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000819734902 606951209 /nfs/dbraw/zinc/95/12/09/606951209.db2.gz XFSVHIRLQJQKNW-CYBMUJFWSA-N -1 3 342.399 2.946 20 30 EFEDHM C=CCC(CC=C)C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000819734902 606951211 /nfs/dbraw/zinc/95/12/11/606951211.db2.gz XFSVHIRLQJQKNW-CYBMUJFWSA-N -1 3 342.399 2.946 20 30 EFEDHM C=CCC(CC=C)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000819734237 607004593 /nfs/dbraw/zinc/00/45/93/607004593.db2.gz KRBINMZJHZGGDJ-UHFFFAOYSA-N -1 3 328.372 2.557 20 30 EFEDHM C=CCC(CC=C)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000819734237 607004594 /nfs/dbraw/zinc/00/45/94/607004594.db2.gz KRBINMZJHZGGDJ-UHFFFAOYSA-N -1 3 328.372 2.557 20 30 EFEDHM N#Cc1c(COc2ccc(-c3nnn[n-]3)cc2F)cn2ccccc12 ZINC000822818567 607139218 /nfs/dbraw/zinc/13/92/18/607139218.db2.gz CNKVHZPCXYJHDS-UHFFFAOYSA-N -1 3 334.314 2.709 20 30 EFEDHM N#Cc1c(COc2ccc(-c3nn[n-]n3)cc2F)cn2ccccc12 ZINC000822818567 607139219 /nfs/dbraw/zinc/13/92/19/607139219.db2.gz CNKVHZPCXYJHDS-UHFFFAOYSA-N -1 3 334.314 2.709 20 30 EFEDHM C#CC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837275 607932260 /nfs/dbraw/zinc/93/22/60/607932260.db2.gz ADFAQFFSMFBNHS-MRXNPFEDSA-N -1 3 332.367 2.753 20 30 EFEDHM C#CC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823837275 607932261 /nfs/dbraw/zinc/93/22/61/607932261.db2.gz ADFAQFFSMFBNHS-MRXNPFEDSA-N -1 3 332.367 2.753 20 30 EFEDHM C#CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000823838896 607936248 /nfs/dbraw/zinc/93/62/48/607936248.db2.gz WMZMYDCAKLXODT-AWEZNQCLSA-N -1 3 334.339 2.951 20 30 EFEDHM C#CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000823838896 607936249 /nfs/dbraw/zinc/93/62/49/607936249.db2.gz WMZMYDCAKLXODT-AWEZNQCLSA-N -1 3 334.339 2.951 20 30 EFEDHM C#CC[C@H](NC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838814 607956292 /nfs/dbraw/zinc/95/62/92/607956292.db2.gz VEKPBYNWNNMRJU-SFHVURJKSA-N -1 3 345.406 2.680 20 30 EFEDHM C#CC[C@H](NC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838814 607956293 /nfs/dbraw/zinc/95/62/93/607956293.db2.gz VEKPBYNWNNMRJU-SFHVURJKSA-N -1 3 345.406 2.680 20 30 EFEDHM CC(C)(C)CN(CCC#N)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824085488 607986946 /nfs/dbraw/zinc/98/69/46/607986946.db2.gz DNFWSULTIHNFBJ-UHFFFAOYSA-N -1 3 329.364 2.541 20 30 EFEDHM CC(C)(C)CN(CCC#N)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824085488 607986947 /nfs/dbraw/zinc/98/69/47/607986947.db2.gz DNFWSULTIHNFBJ-UHFFFAOYSA-N -1 3 329.364 2.541 20 30 EFEDHM Cc1nc(Cl)cc(N=NC(C)c2ccc(-c3nnn[n-]3)s2)n1 ZINC000823958790 608094800 /nfs/dbraw/zinc/09/48/00/608094800.db2.gz WVMGQFKUPINZGX-UHFFFAOYSA-N -1 3 334.796 2.516 20 30 EFEDHM C[C@@H](OC(=O)c1ccccc1OCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824724001 608185175 /nfs/dbraw/zinc/18/51/75/608185175.db2.gz WWKZSDBMDHDTSE-GFCCVEGCSA-N -1 3 349.350 2.687 20 30 EFEDHM C[C@@H](OC(=O)c1ccccc1OCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824724001 608185177 /nfs/dbraw/zinc/18/51/77/608185177.db2.gz WWKZSDBMDHDTSE-GFCCVEGCSA-N -1 3 349.350 2.687 20 30 EFEDHM C=C(CC)COC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000823877789 608317836 /nfs/dbraw/zinc/31/78/36/608317836.db2.gz FMNJVOXRHRDLKP-HNNXBMFYSA-N -1 3 330.388 2.780 20 30 EFEDHM C=C(CC)COC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000823877789 608317838 /nfs/dbraw/zinc/31/78/38/608317838.db2.gz FMNJVOXRHRDLKP-HNNXBMFYSA-N -1 3 330.388 2.780 20 30 EFEDHM C=CCCC[C@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823894619 608332797 /nfs/dbraw/zinc/33/27/97/608332797.db2.gz VCMSGCICFBNBJD-STQMWFEESA-N -1 3 330.388 2.922 20 30 EFEDHM C=CCCC[C@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823894618 608333010 /nfs/dbraw/zinc/33/30/10/608333010.db2.gz VCMSGCICFBNBJD-QWHCGFSZSA-N -1 3 330.388 2.922 20 30 EFEDHM COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1F ZINC000826191194 608540632 /nfs/dbraw/zinc/54/06/32/608540632.db2.gz ZQRUNPUORSAWHE-UHFFFAOYSA-N -1 3 347.741 2.509 20 30 EFEDHM COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1F ZINC000826191194 608540635 /nfs/dbraw/zinc/54/06/35/608540635.db2.gz ZQRUNPUORSAWHE-UHFFFAOYSA-N -1 3 347.741 2.509 20 30 EFEDHM CC1(C#N)CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000824777562 609142406 /nfs/dbraw/zinc/14/24/06/609142406.db2.gz JTIVEYRVXQEYIL-UHFFFAOYSA-N -1 3 348.357 2.594 20 30 EFEDHM CC1(C#N)CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000824777562 609142408 /nfs/dbraw/zinc/14/24/08/609142408.db2.gz JTIVEYRVXQEYIL-UHFFFAOYSA-N -1 3 348.357 2.594 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC1(C#N)CCCCC1 ZINC000826252189 609153438 /nfs/dbraw/zinc/15/34/38/609153438.db2.gz SUCINIDJZNGCOD-UHFFFAOYSA-N -1 3 325.372 2.806 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC1(C#N)CCCCC1 ZINC000826252189 609153440 /nfs/dbraw/zinc/15/34/40/609153440.db2.gz SUCINIDJZNGCOD-UHFFFAOYSA-N -1 3 325.372 2.806 20 30 EFEDHM CC1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824779924 609159425 /nfs/dbraw/zinc/15/94/25/609159425.db2.gz YDJCEOVMDZYUNB-UHFFFAOYSA-N -1 3 345.794 2.678 20 30 EFEDHM CC1(C#N)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824779924 609159426 /nfs/dbraw/zinc/15/94/26/609159426.db2.gz YDJCEOVMDZYUNB-UHFFFAOYSA-N -1 3 345.794 2.678 20 30 EFEDHM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000825806915 609273512 /nfs/dbraw/zinc/27/35/12/609273512.db2.gz JYSKRONJJXDCPC-FPLPWBNLSA-N -1 3 340.362 2.735 20 30 EFEDHM CCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000825806915 609273515 /nfs/dbraw/zinc/27/35/15/609273515.db2.gz JYSKRONJJXDCPC-FPLPWBNLSA-N -1 3 340.362 2.735 20 30 EFEDHM CC(N=Nc1cc(Cl)ccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958821 609307000 /nfs/dbraw/zinc/30/70/00/609307000.db2.gz YAEMZUDVEXKRMI-UHFFFAOYSA-N -1 3 331.742 2.890 20 30 EFEDHM CC(N=Nc1cc(Cl)ccn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958821 609307001 /nfs/dbraw/zinc/30/70/01/609307001.db2.gz YAEMZUDVEXKRMI-UHFFFAOYSA-N -1 3 331.742 2.890 20 30 EFEDHM Fc1ccc2c(c1)OCCCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826375883 609374337 /nfs/dbraw/zinc/37/43/37/609374337.db2.gz FZXDTCWTMKWCBS-UHFFFAOYSA-N -1 3 338.346 2.995 20 30 EFEDHM Fc1ccc2c(c1)OCCCC2=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826375883 609374338 /nfs/dbraw/zinc/37/43/38/609374338.db2.gz FZXDTCWTMKWCBS-UHFFFAOYSA-N -1 3 338.346 2.995 20 30 EFEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]2CCO[C@H]21 ZINC000824783272 609472987 /nfs/dbraw/zinc/47/29/87/609472987.db2.gz FDQPJTUPVDZRSD-ZWNOBZJWSA-N -1 3 332.795 2.733 20 30 EFEDHM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]2CCO[C@H]21 ZINC000824783272 609472988 /nfs/dbraw/zinc/47/29/88/609472988.db2.gz FDQPJTUPVDZRSD-ZWNOBZJWSA-N -1 3 332.795 2.733 20 30 EFEDHM CC(C)n1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000824371693 609473233 /nfs/dbraw/zinc/47/32/33/609473233.db2.gz OPWLLZCJODQBCX-UHFFFAOYSA-N -1 3 330.783 2.744 20 30 EFEDHM CC(C)n1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000824371693 609473235 /nfs/dbraw/zinc/47/32/35/609473235.db2.gz OPWLLZCJODQBCX-UHFFFAOYSA-N -1 3 330.783 2.744 20 30 EFEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000824783268 609473413 /nfs/dbraw/zinc/47/34/13/609473413.db2.gz FDQPJTUPVDZRSD-MFKMUULPSA-N -1 3 332.795 2.733 20 30 EFEDHM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]2CCO[C@@H]21 ZINC000824783268 609473415 /nfs/dbraw/zinc/47/34/15/609473415.db2.gz FDQPJTUPVDZRSD-MFKMUULPSA-N -1 3 332.795 2.733 20 30 EFEDHM C#CCCCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823841967 609517856 /nfs/dbraw/zinc/51/78/56/609517856.db2.gz WNKWAAHCRJKKOJ-UHFFFAOYSA-N -1 3 337.427 2.941 20 30 EFEDHM C#CCCCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823841967 609517858 /nfs/dbraw/zinc/51/78/58/609517858.db2.gz WNKWAAHCRJKKOJ-UHFFFAOYSA-N -1 3 337.427 2.941 20 30 EFEDHM C#CCCCCCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823841906 609577605 /nfs/dbraw/zinc/57/76/05/609577605.db2.gz UXBXXGZNXXCQMM-UHFFFAOYSA-N -1 3 349.398 2.575 20 30 EFEDHM C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001272724881 1253075460 /nfs/dbraw/zinc/07/54/60/1253075460.db2.gz PMJDXSMXRACOMC-ZDUSSCGKSA-N -1 3 336.382 2.575 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)C1=O ZINC001272724949 1253076125 /nfs/dbraw/zinc/07/61/25/1253076125.db2.gz RVIONVJPKNCAQG-SFHVURJKSA-N -1 3 336.382 2.671 20 30 EFEDHM C=C1CCC(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001107493949 1255974692 /nfs/dbraw/zinc/97/46/92/1255974692.db2.gz QQSFIMWYSYUBFA-NSCUHMNNSA-N -1 3 346.387 2.526 20 30 EFEDHM C=CCC1(C(=O)NC/C=C/CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC001107502288 1256007962 /nfs/dbraw/zinc/00/79/62/1256007962.db2.gz DTBMFSFKLKWXQQ-ONEGZZNKSA-N -1 3 346.387 2.526 20 30 EFEDHM N#C[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000921525233 1256913378 /nfs/dbraw/zinc/91/33/78/1256913378.db2.gz POQGQKWCLAVODS-LLVKDONJSA-N -1 3 338.205 2.600 20 30 EFEDHM Cc1nsc(N[C@@H](C)CCNC(=O)c2ccccc2[O-])c1C#N ZINC001098837249 1257115334 /nfs/dbraw/zinc/11/53/34/1257115334.db2.gz ISAGIUNKZPAKSJ-JTQLQIEISA-N -1 3 330.413 2.649 20 30 EFEDHM C=CCCCC(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062015693 1260017530 /nfs/dbraw/zinc/01/75/30/1260017530.db2.gz UAIWSXUQAICFNY-OAHLLOKOSA-N -1 3 330.428 2.859 20 30 EFEDHM C#CCCCCC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001062137595 1260161491 /nfs/dbraw/zinc/16/14/91/1260161491.db2.gz PPDSUJPVKJLTSF-MRXNPFEDSA-N -1 3 342.439 2.697 20 30 EFEDHM N#Cc1c(F)cccc1N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1[O-] ZINC001062446664 1260561700 /nfs/dbraw/zinc/56/17/00/1260561700.db2.gz JCGKSYREQAWBFI-STQMWFEESA-N -1 3 337.354 2.506 20 30 EFEDHM CCCCCCCCCC(=O)NCC[C@H](C)NC(=O)c1cn[n-]n1 ZINC001078335301 1261659990 /nfs/dbraw/zinc/65/99/90/1261659990.db2.gz LPBSGWULLYBFBK-AWEZNQCLSA-N -1 3 337.468 2.570 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC001062883030 1262085246 /nfs/dbraw/zinc/08/52/46/1262085246.db2.gz GRNYKEHXQYJSLZ-CYBMUJFWSA-N -1 3 339.370 2.754 20 30 EFEDHM N#Cc1cccnc1N[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001061046695 1262799734 /nfs/dbraw/zinc/79/97/34/1262799734.db2.gz DFLIEGQLGLTWSO-CABCVRRESA-N -1 3 336.395 2.812 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001002768019 1264030501 /nfs/dbraw/zinc/03/05/01/1264030501.db2.gz ATDNBHICWRCJHD-AWEZNQCLSA-N -1 3 330.428 2.667 20 30 EFEDHM N#Cc1cccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)c1 ZINC000730203721 1264242870 /nfs/dbraw/zinc/24/28/70/1264242870.db2.gz BIVLANPOEZNVIO-UHFFFAOYSA-N -1 3 342.355 2.684 20 30 EFEDHM CCc1nc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cs1 ZINC000073739287 1266667205 /nfs/dbraw/zinc/66/72/05/1266667205.db2.gz HDITWTGBOHNNPB-UHFFFAOYSA-N -1 3 345.424 2.558 20 30 EFEDHM C=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cc([O-])cc(Cl)c1 ZINC001272998683 1265039803 /nfs/dbraw/zinc/03/98/03/1265039803.db2.gz FYJSVJDRVRCUMB-SFHVURJKSA-N -1 3 348.830 2.829 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001004520706 1267210089 /nfs/dbraw/zinc/21/00/89/1267210089.db2.gz MHDGADDGBLBSTJ-ZBFHGGJFSA-N -1 3 344.455 2.961 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)cc1 ZINC000131781101 1267441745 /nfs/dbraw/zinc/44/17/45/1267441745.db2.gz LSRWVQOIIYFMQZ-OAHLLOKOSA-N -1 3 334.335 2.533 20 30 EFEDHM N#Cc1ccc(NCC[C@H]2CCN(C(=O)c3ccccc3[O-])C2)nc1 ZINC001066264006 1267583285 /nfs/dbraw/zinc/58/32/85/1267583285.db2.gz HDKQEMFLUBULJD-AWEZNQCLSA-N -1 3 336.395 2.623 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2ccccc2OCC2CC2)c1[O-] ZINC000739427803 1268689970 /nfs/dbraw/zinc/68/99/70/1268689970.db2.gz ZWEGLKHBFKWGIQ-JMIUGGIZSA-N -1 3 326.396 2.996 20 30 EFEDHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000740605215 1269000236 /nfs/dbraw/zinc/00/02/36/1269000236.db2.gz PICPTEVPZWDNDQ-UHFFFAOYSA-N -1 3 333.388 2.560 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]2C)C1 ZINC001005256507 1269713205 /nfs/dbraw/zinc/71/32/05/1269713205.db2.gz PUNVFNQJRUXBSF-GDBMZVCRSA-N -1 3 342.439 2.715 20 30 EFEDHM C[C@@H](CNc1snc(Cl)c1C#N)NC(=O)c1ccccc1[O-] ZINC001108252172 1270433671 /nfs/dbraw/zinc/43/36/71/1270433671.db2.gz FSWJBXQEKIUEII-QMMMGPOBSA-N -1 3 336.804 2.604 20 30 EFEDHM CSCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccccc1 ZINC000743448297 1270583049 /nfs/dbraw/zinc/58/30/49/1270583049.db2.gz IWEXJRBZEFETGI-UHFFFAOYSA-N -1 3 348.493 2.916 20 30 EFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc(F)ccc1F ZINC000743448203 1270583099 /nfs/dbraw/zinc/58/30/99/1270583099.db2.gz DGJLNHSKCFEBCI-UHFFFAOYSA-N -1 3 338.379 2.851 20 30 EFEDHM CCOc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000743448584 1270583707 /nfs/dbraw/zinc/58/37/07/1270583707.db2.gz WKGUYQVUFGENPL-UHFFFAOYSA-N -1 3 346.452 2.971 20 30 EFEDHM COc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000743449095 1270584083 /nfs/dbraw/zinc/58/40/83/1270584083.db2.gz MZGYBKDILHFWNB-UHFFFAOYSA-N -1 3 332.425 2.581 20 30 EFEDHM CCOc1cccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000743531482 1270622550 /nfs/dbraw/zinc/62/25/50/1270622550.db2.gz ZCUVAWOPVHLLPY-UHFFFAOYSA-N -1 3 332.425 2.929 20 30 EFEDHM Cc1noc([N-]C(=O)[C@@H](O)c2ccc(C(F)(F)F)cc2)c1C#N ZINC001143631904 1278612533 /nfs/dbraw/zinc/61/25/33/1278612533.db2.gz IBDRIAXQJPUYKY-NSHDSACASA-N -1 3 325.246 2.546 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001005726604 1273034469 /nfs/dbraw/zinc/03/44/69/1273034469.db2.gz UMFOAHVWWBAQRR-ORAYPTAESA-N -1 3 330.428 2.571 20 30 EFEDHM N#Cc1csc(C(=O)[N-]c2nc3cc(Br)ccn3n2)c1 ZINC001129015253 1273047185 /nfs/dbraw/zinc/04/71/85/1273047185.db2.gz WQMNROYSVDXAET-UHFFFAOYSA-N -1 3 348.185 2.677 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001005730866 1273050113 /nfs/dbraw/zinc/05/01/13/1273050113.db2.gz NYSRVTILCLXPRJ-ZDUSSCGKSA-N -1 3 330.428 2.571 20 30 EFEDHM C[C@H](CN(C)c1ncc(C#N)cc1Cl)NC(=O)c1ccccc1[O-] ZINC001108866669 1273566760 /nfs/dbraw/zinc/56/67/60/1273566760.db2.gz ABLJOUAHCGEPME-LLVKDONJSA-N -1 3 344.802 2.567 20 30 EFEDHM C[C@H](CN(C)c1cccc(F)c1C#N)NC(=O)c1ccccc1[O-] ZINC001108867525 1273567567 /nfs/dbraw/zinc/56/75/67/1273567567.db2.gz SYMFROQTDRTDLN-GFCCVEGCSA-N -1 3 327.359 2.658 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N/CC[C@]1(O)CCCOC1 ZINC000844269191 1278840542 /nfs/dbraw/zinc/84/05/42/1278840542.db2.gz AUUUITPYUCRGAG-BRYYZUPOSA-N -1 3 328.206 2.505 20 30 EFEDHM C=C1CCC(C(=O)N(C)CCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001109618618 1274476206 /nfs/dbraw/zinc/47/62/06/1274476206.db2.gz VCGSSTKMHDBLJL-UHFFFAOYSA-N -1 3 348.403 2.702 20 30 EFEDHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)NC1(C#N)CCC1 ZINC000786139457 1275307513 /nfs/dbraw/zinc/30/75/13/1275307513.db2.gz HXFOUYOJJDDUBY-JTQLQIEISA-N -1 3 344.392 2.715 20 30 EFEDHM C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N(C)CCC#N ZINC000786131699 1275319492 /nfs/dbraw/zinc/31/94/92/1275319492.db2.gz PMEPKMOECVATRY-SNVBAGLBSA-N -1 3 332.381 2.524 20 30 EFEDHM CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786132967 1275319805 /nfs/dbraw/zinc/31/98/05/1275319805.db2.gz YQVNZHKYVMMVBV-NSHDSACASA-N -1 3 346.408 2.772 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000788322245 1276144838 /nfs/dbraw/zinc/14/48/38/1276144838.db2.gz XFKMCCXOCRUPIS-GKXUUXLPSA-N -1 3 339.439 2.923 20 30 EFEDHM Cc1nsc(N[C@H](C)[C@H](C)NC(=O)c2ccccc2[O-])c1C#N ZINC001112911349 1276232307 /nfs/dbraw/zinc/23/23/07/1276232307.db2.gz ONYHQDJMLCJUPY-VHSXEESVSA-N -1 3 330.413 2.648 20 30 EFEDHM C[C@H](NC(=O)c1ccccc1[O-])[C@H](C)Nc1ncc(C#N)cc1Cl ZINC001112912087 1276233575 /nfs/dbraw/zinc/23/35/75/1276233575.db2.gz VMZBWLFBTGJKGM-QWRGUYRKSA-N -1 3 344.802 2.931 20 30 EFEDHM Cc1ncc(CO)c(/C=N\CCC(C)(C)C(=O)OC(C)(C)C)c1[O-] ZINC000818993055 1276566282 /nfs/dbraw/zinc/56/62/82/1276566282.db2.gz WXGBZUDFPXSTHN-GRSHGNNSSA-N -1 3 336.432 2.765 20 30 EFEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(CC(F)F)n3)nc21 ZINC000789430623 1276709572 /nfs/dbraw/zinc/70/95/72/1276709572.db2.gz LZAKDBKCTSIUFX-JTQLQIEISA-N -1 3 329.310 2.823 20 30 EFEDHM C/C(=C\C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000820477037 1277188086 /nfs/dbraw/zinc/18/80/86/1277188086.db2.gz SHQWGTWWEHEKDH-WTNCMQEWSA-N -1 3 342.317 2.605 20 30 EFEDHM O=C(Cc1csc2ccc(Cl)cc12)N[C@H]1CCCN([O-])C1=O ZINC000820477202 1277188833 /nfs/dbraw/zinc/18/88/33/1277188833.db2.gz VSVWVHLETBXTAN-LBPRGKRZSA-N -1 3 338.816 2.594 20 30 EFEDHM CN(CC(C)(C)CNc1ccc(C#N)nc1)C(=O)c1ccccc1[O-] ZINC001113406211 1277771860 /nfs/dbraw/zinc/77/18/60/1277771860.db2.gz ADULNIRKNVGPCD-UHFFFAOYSA-N -1 3 338.411 2.869 20 30 EFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1c(F)cccc1-n1cccn1 ZINC000844653576 1279138966 /nfs/dbraw/zinc/13/89/66/1279138966.db2.gz LGQURTQEDDDVCK-UHFFFAOYSA-N -1 3 336.392 2.693 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc2c(s1)CCC[C@H]2C(=O)OCC ZINC000844689349 1279168242 /nfs/dbraw/zinc/16/82/42/1279168242.db2.gz QTORUEKRPGQBRS-VHSXEESVSA-N -1 3 339.417 2.754 20 30 EFEDHM CC(C)(C)OC(=O)[C@@]1(C([O-])=C(C#N)c2ccncn2)CC=CCC1 ZINC000845515054 1279696903 /nfs/dbraw/zinc/69/69/03/1279696903.db2.gz ZSTZJZWTTDVGHK-ACJLOTCBSA-N -1 3 327.384 2.721 20 30 EFEDHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000794033016 1280026724 /nfs/dbraw/zinc/02/67/24/1280026724.db2.gz JWMDWEHJMIEIRI-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000846542699 1280236561 /nfs/dbraw/zinc/23/65/61/1280236561.db2.gz GJOUAOCYTUMEBS-TZMCWYRMSA-N -1 3 336.819 2.815 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)C12CCC(C(=O)NO[C@@H](C)C=C)(CC1)CC2 ZINC000846553692 1280246405 /nfs/dbraw/zinc/24/64/05/1280246405.db2.gz FUWBLEXTQYNOSW-DIOPXHOYSA-N -1 3 336.432 2.572 20 30 EFEDHM C=C(C)CO[N-]C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O ZINC000846538118 1280251304 /nfs/dbraw/zinc/25/13/04/1280251304.db2.gz QAZMUDCFJALSEA-UHFFFAOYSA-N -1 3 331.368 2.667 20 30 EFEDHM C=C(C)CO[N-]C(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000846538633 1280253279 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N#Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)c2cccnc12 ZINC001187007284 1291071037 /nfs/dbraw/zinc/07/10/37/1291071037.db2.gz VIVLBCXTIJZBIR-UHFFFAOYSA-N -1 3 341.334 2.539 20 30 EFEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1 ZINC001187993409 1291281393 /nfs/dbraw/zinc/28/13/93/1291281393.db2.gz VGCWKBXIHRHWLC-UHFFFAOYSA-N -1 3 348.490 2.587 20 30 EFEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(-c2ccccc2F)n[nH]1 ZINC001188024026 1291297507 /nfs/dbraw/zinc/29/75/07/1291297507.db2.gz FUCMTJNPRYSUTO-UHFFFAOYSA-N -1 3 339.330 2.655 20 30 EFEDHM C=C[C@@H]1C[C@]1([N-]S(=O)(=O)CCCCCCCC)C(=O)OCC ZINC001188029522 1291300825 /nfs/dbraw/zinc/30/08/25/1291300825.db2.gz STNZMMBUXSCXOD-GDBMZVCRSA-N -1 3 331.478 2.774 20 30 EFEDHM C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)CCCCCCCC)C(=O)OCC ZINC001188029525 1291300865 /nfs/dbraw/zinc/30/08/65/1291300865.db2.gz STNZMMBUXSCXOD-ZBFHGGJFSA-N -1 3 331.478 2.774 20 30 EFEDHM C=C[C@H]1C[C@@]1([N-]S(=O)(=O)CCCCCCCC)C(=O)OCC ZINC001188029524 1291300931 /nfs/dbraw/zinc/30/09/31/1291300931.db2.gz STNZMMBUXSCXOD-HOCLYGCPSA-N -1 3 331.478 2.774 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccc(F)nc2)c(C)c1[O-] ZINC001188655363 1291431455 /nfs/dbraw/zinc/43/14/55/1291431455.db2.gz UGFQTDWYGXJSLI-UHFFFAOYSA-N -1 3 343.314 2.535 20 30 EFEDHM COc1cc(C(=O)[N-]c2sc3ccccc3c2C#N)nc(OC)n1 ZINC001189084033 1291579312 /nfs/dbraw/zinc/57/93/12/1291579312.db2.gz XVOJNQKQYRLBGG-UHFFFAOYSA-N -1 3 340.364 2.832 20 30 EFEDHM COc1cc([O-])c(CN2CCC[C@@H](C#N)C2)cc1Br ZINC001233140649 1312865373 /nfs/dbraw/zinc/86/53/73/1312865373.db2.gz QBPGZVMLYZSJOR-JTQLQIEISA-N -1 3 325.206 2.899 20 30 EFEDHM C=C(C)c1cccc(C(C)(C)NC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC001189274635 1291662634 /nfs/dbraw/zinc/66/26/34/1291662634.db2.gz JIHMHMYONUQZSY-HNNXBMFYSA-N -1 3 342.443 2.766 20 30 EFEDHM CC(C)CCOc1cccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000878458908 1291682010 /nfs/dbraw/zinc/68/20/10/1291682010.db2.gz VVVKTVSVCIXTCH-OAHLLOKOSA-N -1 3 335.404 2.613 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)cn1 ZINC001189497970 1291738194 /nfs/dbraw/zinc/73/81/94/1291738194.db2.gz BUKIJVHFLLKJIS-UHFFFAOYSA-N -1 3 341.314 2.914 20 30 EFEDHM O=C(Nc1ccc(COC2CCCC2)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000878782183 1291784072 /nfs/dbraw/zinc/78/40/72/1291784072.db2.gz ULNVTLABXHQFGU-MRXNPFEDSA-N -1 3 347.415 2.648 20 30 EFEDHM COC(=O)c1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1Cl ZINC001189616762 1291786343 /nfs/dbraw/zinc/78/63/43/1291786343.db2.gz JGBOKRQPWVPSFX-UHFFFAOYSA-N -1 3 330.727 2.956 20 30 EFEDHM N#Cc1cnc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c(Cl)c1 ZINC001189649550 1291802711 /nfs/dbraw/zinc/80/27/11/1291802711.db2.gz RRLNKAXRCVICMX-UHFFFAOYSA-N -1 3 343.742 2.827 20 30 EFEDHM N#C[C@@H]([N-]S(=O)(=O)Cc1cc(F)ccc1F)c1ccc(F)cc1 ZINC001189706947 1291825856 /nfs/dbraw/zinc/82/58/56/1291825856.db2.gz SLAJLXBAUMPJBG-OAHLLOKOSA-N -1 3 340.326 2.788 20 30 EFEDHM COc1ccc(-n2cc(C(=O)Nc3ccc([O-])c(C#N)c3)cn2)cc1 ZINC001189730078 1291840804 /nfs/dbraw/zinc/84/08/04/1291840804.db2.gz ABXMHMLRIUKVHT-UHFFFAOYSA-N -1 3 334.335 2.710 20 30 EFEDHM N#CCCN(CCC#N)C(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189762177 1291844822 /nfs/dbraw/zinc/84/48/22/1291844822.db2.gz DQSMQYZAZAULPD-UHFFFAOYSA-N -1 3 327.262 2.560 20 30 EFEDHM O=C(Nc1cccc(CCC(F)(F)F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878898324 1291855694 /nfs/dbraw/zinc/85/56/94/1291855694.db2.gz VRAGMFQMGPKHTQ-GFCCVEGCSA-N -1 3 345.321 2.683 20 30 EFEDHM N#Cc1ncc([N-]S(=O)(=O)Cc2ccc(F)cc2F)cc1Cl ZINC001189789202 1291863238 /nfs/dbraw/zinc/86/32/38/1291863238.db2.gz GQZFRZBMBUHNKC-UHFFFAOYSA-N -1 3 343.742 2.827 20 30 EFEDHM O=C(Nc1ncc(C2CCCCC2)s1)N[C@@H]1CCCN([O-])C1=O ZINC000879145617 1291989193 /nfs/dbraw/zinc/98/91/93/1291989193.db2.gz VRFSQLONJDIQCD-LLVKDONJSA-N -1 3 338.433 2.693 20 30 EFEDHM Cc1ccc(-c2ncccc2NC(=O)N[C@@H]2CCCN([O-])C2=O)s1 ZINC000879319620 1292069451 /nfs/dbraw/zinc/06/94/51/1292069451.db2.gz BEPGRIQNALDLPG-GFCCVEGCSA-N -1 3 346.412 2.620 20 30 EFEDHM C=C(C)Cc1ccc(C(=O)N=c2nc3[nH][n-]cc-3c(Cl)n2)cc1 ZINC001190217828 1292073148 /nfs/dbraw/zinc/07/31/48/1292073148.db2.gz YLYMUQKWVHGHDQ-UHFFFAOYSA-N -1 3 327.775 2.751 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c[nH]c3cc(=O)ccc-3c2)c1 ZINC001190619361 1292227845 /nfs/dbraw/zinc/22/78/45/1292227845.db2.gz IZMNDXRHXROOHG-UHFFFAOYSA-N -1 3 343.339 2.752 20 30 EFEDHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1F)C1CC1 ZINC001190665538 1292251988 /nfs/dbraw/zinc/25/19/88/1292251988.db2.gz NWUROMTZUNJTSJ-QGZVFWFLSA-N -1 3 345.399 2.830 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CC2)c1 ZINC001190669364 1292255150 /nfs/dbraw/zinc/25/51/50/1292255150.db2.gz OSGHOTKIZXAIST-MRXNPFEDSA-N -1 3 331.372 2.522 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccncc2)C2CC2)c1 ZINC001190669367 1292255286 /nfs/dbraw/zinc/25/52/86/1292255286.db2.gz OWGYFYMOCPMCHZ-INIZCTEOSA-N -1 3 331.372 2.522 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCc3ccccc32)c1 ZINC001190677773 1292282136 /nfs/dbraw/zinc/28/21/36/1292282136.db2.gz WRVFRDAHPMHZJF-CQSZACIVSA-N -1 3 330.384 2.706 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1F)Cc1cccnc1 ZINC001190676487 1292282263 /nfs/dbraw/zinc/28/22/63/1292282263.db2.gz DMXBLXIEFJIGTN-UHFFFAOYSA-N -1 3 347.415 2.640 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2cncc(F)c2)C2CC2)c1 ZINC001190678015 1292282789 /nfs/dbraw/zinc/28/27/89/1292282789.db2.gz XZDBIBZUWKZIHO-INIZCTEOSA-N -1 3 349.362 2.661 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2cccnc2F)C2CC2)c1 ZINC001190676675 1292282859 /nfs/dbraw/zinc/28/28/59/1292282859.db2.gz JGKWIHRUJCSVOM-OAHLLOKOSA-N -1 3 349.362 2.661 20 30 EFEDHM CC(C)CC1([N-]S(=O)(=O)c2cc(C#N)ccc2F)CCOCC1 ZINC001190677625 1292282880 /nfs/dbraw/zinc/28/28/80/1292282880.db2.gz PXXGIBAGBKHNKL-UHFFFAOYSA-N -1 3 340.420 2.571 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CC23CCC(F)(F)CC3)c1 ZINC001190677990 1292282934 /nfs/dbraw/zinc/28/29/34/1292282934.db2.gz XLHRIKMQROFGRV-ZDUSSCGKSA-N -1 3 344.358 2.944 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C2(Cc3ccccc3F)CC2)c1 ZINC001190676537 1292282978 /nfs/dbraw/zinc/28/29/78/1292282978.db2.gz FKIRQVWUGOMWNO-UHFFFAOYSA-N -1 3 348.374 2.890 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2ccn(CC)c2C(=O)OCC)CC1 ZINC001190773331 1292308647 /nfs/dbraw/zinc/30/86/47/1292308647.db2.gz FBHXMSXHIMROPK-UHFFFAOYSA-N -1 3 326.418 2.535 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2c(F)cccc2OCCOC)CC1 ZINC001190815107 1292324936 /nfs/dbraw/zinc/32/49/36/1292324936.db2.gz BQEUAMNCPAYBEI-UHFFFAOYSA-N -1 3 329.393 2.701 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1ccc(C#N)cc1[O-] ZINC001233384530 1312918761 /nfs/dbraw/zinc/91/87/61/1312918761.db2.gz YQUJPVCMWHCZJZ-JKSUJKDBSA-N -1 3 343.427 2.848 20 30 EFEDHM CC(C)OCc1ncn2c1CN(Cc1ccc(C#N)cc1[O-])CCC2 ZINC001233385600 1312919992 /nfs/dbraw/zinc/91/99/92/1312919992.db2.gz NQADZOLTWPCJRQ-UHFFFAOYSA-N -1 3 340.427 2.791 20 30 EFEDHM N#Cc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)c([O-])c1 ZINC001233385429 1312920213 /nfs/dbraw/zinc/92/02/13/1312920213.db2.gz HSKYOSCMBRSBCM-UHFFFAOYSA-N -1 3 325.387 2.721 20 30 EFEDHM CCOc1cccc(N2CCN(Cc3ccc(C#N)cc3[O-])CC2)c1 ZINC001233386865 1312920373 /nfs/dbraw/zinc/92/03/73/1312920373.db2.gz LLNPMPVSWPWRLJ-UHFFFAOYSA-N -1 3 337.423 2.985 20 30 EFEDHM COc1ccc(CN2CCN(Cc3ccc(C#N)cc3[O-])CC2)cc1 ZINC001233386358 1312920537 /nfs/dbraw/zinc/92/05/37/1312920537.db2.gz QLYJBDXAOQYQIK-UHFFFAOYSA-N -1 3 337.423 2.590 20 30 EFEDHM CCOc1ccc(N2CCN(Cc3ccc(C#N)cc3[O-])CC2)cc1 ZINC001233387870 1312921456 /nfs/dbraw/zinc/92/14/56/1312921456.db2.gz CAISTRGZRDLZEB-UHFFFAOYSA-N -1 3 337.423 2.985 20 30 EFEDHM N#Cc1ccc(CN2CCN(Cc3c(F)cccc3F)CC2)c([O-])c1 ZINC001233387441 1312921480 /nfs/dbraw/zinc/92/14/80/1312921480.db2.gz JNEVFDCVDSKPEB-UHFFFAOYSA-N -1 3 343.377 2.860 20 30 EFEDHM N#Cc1cccc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)c1 ZINC001233396595 1312923796 /nfs/dbraw/zinc/92/37/96/1312923796.db2.gz LEJXLPOOSQUCAV-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM N#Cc1cncc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191866021 1292697549 /nfs/dbraw/zinc/69/75/49/1292697549.db2.gz BNBMFTFYSRGFAO-UHFFFAOYSA-N -1 3 325.752 2.688 20 30 EFEDHM CC(=O)Nc1ccc([O-])c(NC(=O)c2c(F)cc(C#N)cc2F)c1 ZINC001191935990 1292720225 /nfs/dbraw/zinc/72/02/25/1292720225.db2.gz KREPPBXYNQWPTO-UHFFFAOYSA-N -1 3 331.278 2.753 20 30 EFEDHM N#Cc1cccnc1N1CCC(Oc2ccc3occ([O-])c3c2)CC1 ZINC001233680301 1312969116 /nfs/dbraw/zinc/96/91/16/1312969116.db2.gz HPHUEEJDFFHNPW-UHFFFAOYSA-N -1 3 335.363 2.576 20 30 EFEDHM COc1cc([N-]S(=O)(=O)CC#N)ccc1OCc1ccccc1 ZINC001192980455 1293131402 /nfs/dbraw/zinc/13/14/02/1293131402.db2.gz KIGJQMVJZITHGH-UHFFFAOYSA-N -1 3 332.381 2.539 20 30 EFEDHM COc1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cc([O-])c1O ZINC001193080834 1293155565 /nfs/dbraw/zinc/15/55/65/1293155565.db2.gz FHWUBKNLLPAKIV-UHFFFAOYSA-N -1 3 329.356 2.787 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)ccc1NC(=O)OC(C)(C)C ZINC001193158339 1293188314 /nfs/dbraw/zinc/18/83/14/1293188314.db2.gz OESLVGJEJNTYTP-LLVKDONJSA-N -1 3 339.417 2.996 20 30 EFEDHM C=CCOC(=O)c1ccc([N-]S(=O)(=O)CC2CCC2)c(F)c1 ZINC001193513853 1293342020 /nfs/dbraw/zinc/34/20/20/1293342020.db2.gz MVNHCSAIFYLOEY-UHFFFAOYSA-N -1 3 327.377 2.710 20 30 EFEDHM COc1cc(/C=N/[O-])ccc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001233799106 1312994969 /nfs/dbraw/zinc/99/49/69/1312994969.db2.gz FVZRVPSYXDSJNB-HVOBPNNYSA-N -1 3 336.388 2.892 20 30 EFEDHM COc1ccnc(C(=O)N2CCC(C#Cc3ccccc3)CC2)c1[O-] ZINC001193528775 1293345957 /nfs/dbraw/zinc/34/59/57/1293345957.db2.gz MQVDZPJKRQSQDZ-UHFFFAOYSA-N -1 3 336.391 2.700 20 30 EFEDHM Cc1noc([N-]C(=O)c2ncccc2C(=O)c2ccccc2)c1C#N ZINC001193557150 1293358638 /nfs/dbraw/zinc/35/86/38/1293358638.db2.gz TUAIZGZJUDKMPR-UHFFFAOYSA-N -1 3 332.319 2.733 20 30 EFEDHM Cc1nc(C#N)c([N-]C(=O)c2ncccc2C(=O)c2ccccc2)o1 ZINC001193562171 1293362289 /nfs/dbraw/zinc/36/22/89/1293362289.db2.gz VGTKUCZGKIRLHO-UHFFFAOYSA-N -1 3 332.319 2.733 20 30 EFEDHM N#Cc1cccc(C(=O)N2CCN(CC3CCCCC3)CC2)c1[O-] ZINC001193634229 1293378508 /nfs/dbraw/zinc/37/85/08/1293378508.db2.gz AYWOEAJRMWBQES-UHFFFAOYSA-N -1 3 327.428 2.602 20 30 EFEDHM N#Cc1cc(NC(=O)c2cn(-c3cccc(Cl)c3)nn2)ccc1[O-] ZINC001194148876 1293536543 /nfs/dbraw/zinc/53/65/43/1293536543.db2.gz DEMAKLQKWJXQJV-UHFFFAOYSA-N -1 3 339.742 2.750 20 30 EFEDHM N#Cc1csc(C[N-]S(=O)(=O)c2ncccc2C(F)(F)F)c1 ZINC001194597939 1293677584 /nfs/dbraw/zinc/67/75/84/1293677584.db2.gz ZWUQIQPDZMZSPH-UHFFFAOYSA-N -1 3 347.343 2.512 20 30 EFEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cn(-c2cnccn2)cn1 ZINC001194712444 1293703461 /nfs/dbraw/zinc/70/34/61/1293703461.db2.gz FOPQQBIAKFVCKT-UHFFFAOYSA-N -1 3 330.307 2.532 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2F)cn1 ZINC001195726061 1294001290 /nfs/dbraw/zinc/00/12/90/1294001290.db2.gz ZNOHWGPRCSIILT-UHFFFAOYSA-N -1 3 341.751 2.555 20 30 EFEDHM COc1cccc(-c2cc([O-])cc(C(=O)Nc3c[nH]nc3C#N)c2)c1 ZINC001196364374 1294226736 /nfs/dbraw/zinc/22/67/36/1294226736.db2.gz GQMSYWQVPXBJDG-UHFFFAOYSA-N -1 3 334.335 2.915 20 30 EFEDHM N#Cc1cccnc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001196561496 1294290683 /nfs/dbraw/zinc/29/06/83/1294290683.db2.gz VQBXTNSQQAIEIO-UHFFFAOYSA-N -1 3 338.754 2.790 20 30 EFEDHM COc1nc(C(F)(F)F)c(C(=O)[N-]c2cc(C#N)ccn2)s1 ZINC001196829671 1294376960 /nfs/dbraw/zinc/37/69/60/1294376960.db2.gz WGAGYNOFRQKSES-UHFFFAOYSA-N -1 3 328.275 2.689 20 30 EFEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(OC)c2)c(C)c1 ZINC001196880567 1294389690 /nfs/dbraw/zinc/38/96/90/1294389690.db2.gz ODJFLINGGUAUSZ-UHFFFAOYSA-N -1 3 346.408 2.993 20 30 EFEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC)c(C#N)c2)c(C)c1 ZINC001196879820 1294390044 /nfs/dbraw/zinc/39/00/44/1294390044.db2.gz KJIXIBTWYWUFGE-UHFFFAOYSA-N -1 3 346.408 2.993 20 30 EFEDHM CC(C)(C)n1ncc(C(=O)N([O-])C(=N)c2ccccc2N)c1Cl ZINC001196954241 1294422214 /nfs/dbraw/zinc/42/22/14/1294422214.db2.gz DOSFYSUQCMJADH-UHFFFAOYSA-N -1 3 335.795 2.731 20 30 EFEDHM COCCOc1cccnc1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001197690144 1294669148 /nfs/dbraw/zinc/66/91/48/1294669148.db2.gz OVMVRBVBVHCLAS-UHFFFAOYSA-N -1 3 333.294 2.509 20 30 EFEDHM COC(=O)c1ccc([O-])cc1NC(=S)Nc1cccc(C#N)c1 ZINC001197722820 1294693238 /nfs/dbraw/zinc/69/32/38/1294693238.db2.gz HLNIIKLIALIUOW-UHFFFAOYSA-N -1 3 327.365 2.859 20 30 EFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)ccc1Cl ZINC000137224164 1294719912 /nfs/dbraw/zinc/71/99/12/1294719912.db2.gz XGNVLYAAJVTYAD-NSHDSACASA-N -1 3 329.743 2.705 20 30 EFEDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000886401273 1294933145 /nfs/dbraw/zinc/93/31/45/1294933145.db2.gz VKZJVYFFSWWKOM-QMTHXVAHSA-N -1 3 327.837 2.794 20 30 EFEDHM Cc1nn(Cc2cccnc2)c(C)c1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001198422487 1295040273 /nfs/dbraw/zinc/04/02/73/1295040273.db2.gz SMLIDSDBCANNCT-UHFFFAOYSA-N -1 3 347.378 2.773 20 30 EFEDHM C[C@H](Oc1[n-]c(=O)nc2cccc(C#N)c21)c1cnc2ccccn21 ZINC001234511167 1313141943 /nfs/dbraw/zinc/14/19/43/1313141943.db2.gz LCUGOCJYPDIZIJ-NSHDSACASA-N -1 3 331.335 2.995 20 30 EFEDHM COCCOc1ccncc1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001199235095 1295442145 /nfs/dbraw/zinc/44/21/45/1295442145.db2.gz BUFAFAUTYOVOKO-UHFFFAOYSA-N -1 3 333.294 2.509 20 30 EFEDHM N#Cc1cnc(C(=O)[N-]c2cc(-c3ccc(Cl)s3)on2)cn1 ZINC001199665188 1295663883 /nfs/dbraw/zinc/66/38/83/1295663883.db2.gz QXUNVMXBKMDRMQ-UHFFFAOYSA-N -1 3 331.744 2.970 20 30 EFEDHM CCOC(=O)C[C@@H](CC#N)Oc1c(C)c([O-])cc(OC)c1C(C)=O ZINC001234791959 1313192620 /nfs/dbraw/zinc/19/26/20/1313192620.db2.gz UAGOUPUOWHJIDI-GFCCVEGCSA-N -1 3 335.356 2.526 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3ccsc3[n-]2)C[C@H]1C#N ZINC001234846848 1313198152 /nfs/dbraw/zinc/19/81/52/1313198152.db2.gz DCSQYKYDNKXLTE-VHSXEESVSA-N -1 3 334.401 2.905 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2nc3sccc3[n-]2)C[C@H]1C#N ZINC001234846848 1313198153 /nfs/dbraw/zinc/19/81/53/1313198153.db2.gz DCSQYKYDNKXLTE-VHSXEESVSA-N -1 3 334.401 2.905 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234850943 1313198683 /nfs/dbraw/zinc/19/86/83/1313198683.db2.gz BVVRAHPXJJGLKA-MWLCHTKSSA-N -1 3 334.401 2.762 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2nc3sccc3[n-]2)C1 ZINC001234850943 1313198687 /nfs/dbraw/zinc/19/86/87/1313198687.db2.gz BVVRAHPXJJGLKA-MWLCHTKSSA-N -1 3 334.401 2.762 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2nc3cc(Cl)ccc3n2C)c1[O-] ZINC000777400928 1296006951 /nfs/dbraw/zinc/00/69/51/1296006951.db2.gz GVAZXUFTAVFXTL-FBCYGCLPSA-N -1 3 344.802 2.747 20 30 EFEDHM C=CCNC(=O)[C@H]1CC12CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001274723110 1296150768 /nfs/dbraw/zinc/15/07/68/1296150768.db2.gz KRMYDWRVBHJZKF-CQSZACIVSA-N -1 3 334.847 2.950 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1 ZINC001201320271 1296725711 /nfs/dbraw/zinc/72/57/11/1296725711.db2.gz UUWYGXJNZRFYTC-UHFFFAOYSA-N -1 3 326.377 2.680 20 30 EFEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201792228 1297081081 /nfs/dbraw/zinc/08/10/81/1297081081.db2.gz JUJBRYVVPDVFRZ-LBPRGKRZSA-N -1 3 334.210 2.668 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201790865 1297103392 /nfs/dbraw/zinc/10/33/92/1297103392.db2.gz CEQIBOGNKWTROK-QMMMGPOBSA-N -1 3 335.198 2.559 20 30 EFEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201789755 1297103978 /nfs/dbraw/zinc/10/39/78/1297103978.db2.gz FVNFJZVBHXNEQZ-SECBINFHSA-N -1 3 349.225 2.805 20 30 EFEDHM CCc1cccc(C)c1NC(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273226 1297335011 /nfs/dbraw/zinc/33/50/11/1297335011.db2.gz DSURBKFIHZIMHQ-UHFFFAOYSA-N -1 3 338.363 2.930 20 30 EFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000776280008 1297356057 /nfs/dbraw/zinc/35/60/57/1297356057.db2.gz OCVHPTBHGOAITO-WQGACYEGSA-N -1 3 330.384 2.504 20 30 EFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000776280006 1297356305 /nfs/dbraw/zinc/35/63/05/1297356305.db2.gz OCVHPTBHGOAITO-MQIPJXDCSA-N -1 3 330.384 2.504 20 30 EFEDHM Cc1ccc(C#N)c(N[C@@H](CNC(=O)c2ccccc2[O-])C2CC2)n1 ZINC001096581738 1313407267 /nfs/dbraw/zinc/40/72/67/1313407267.db2.gz OKOLLDPISJMXHS-INIZCTEOSA-N -1 3 336.395 2.588 20 30 EFEDHM C=CC[C@@H](C(=O)OCCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000778430708 1297680662 /nfs/dbraw/zinc/68/06/62/1297680662.db2.gz VEKPZHGUMKBJFT-CYBMUJFWSA-N -1 3 329.318 2.958 20 30 EFEDHM CCc1cccnc1C(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000779774871 1298480210 /nfs/dbraw/zinc/48/02/10/1298480210.db2.gz NTSMIHOFHGGYPK-UHFFFAOYSA-N -1 3 331.441 2.530 20 30 EFEDHM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1 ZINC000108250020 1298494101 /nfs/dbraw/zinc/49/41/01/1298494101.db2.gz HJZRKOWAWBIKBN-UHFFFAOYSA-N -1 3 331.393 2.816 20 30 EFEDHM COc1ccc(CN2CC[C@H]3SC(=O)C=C3C2)c([O-])c1Cl ZINC001236801000 1313531398 /nfs/dbraw/zinc/53/13/98/1313531398.db2.gz BESBMDILZUOXNV-GFCCVEGCSA-N -1 3 325.817 2.828 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2cc(F)ccc2OC(F)F)c1[O-] ZINC000852999175 1299963533 /nfs/dbraw/zinc/96/35/33/1299963533.db2.gz XQGMSKAKPCTAJQ-IFRROFPPSA-N -1 3 340.301 2.948 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2cnccc2C(F)(F)F)c1[O-] ZINC000852999115 1299964103 /nfs/dbraw/zinc/96/41/03/1299964103.db2.gz WIMRTGOZTXUAPT-IFRROFPPSA-N -1 3 325.290 2.621 20 30 EFEDHM Cc1ccccc1-n1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1 ZINC000112222825 1300557798 /nfs/dbraw/zinc/55/77/98/1300557798.db2.gz QLVQTRSXNLJZTD-OAHLLOKOSA-N -1 3 345.362 2.537 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCSC(C)(C)C ZINC000112763882 1300731633 /nfs/dbraw/zinc/73/16/33/1300731633.db2.gz WMZCOXIRWIYAAB-UHFFFAOYSA-N -1 3 336.457 2.871 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000776765797 1300744708 /nfs/dbraw/zinc/74/47/08/1300744708.db2.gz KAPXMNJVMBFROO-UHFFFAOYSA-N -1 3 331.372 2.541 20 30 EFEDHM C=CCCO[N-]C(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000856029938 1301210919 /nfs/dbraw/zinc/21/09/19/1301210919.db2.gz JFEMJJSILBFCOT-UHFFFAOYSA-N -1 3 331.372 2.692 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000113852791 1301212601 /nfs/dbraw/zinc/21/26/01/1301212601.db2.gz IJXGCLZBBZXPKW-AWEZNQCLSA-N -1 3 326.352 2.709 20 30 EFEDHM Cc1cc(C(=O)[O-])ccc1CN1CCN(c2ccc(C#N)cc2)CC1 ZINC001238139356 1313768471 /nfs/dbraw/zinc/76/84/71/1313768471.db2.gz LOMNMSDXVRPETH-UHFFFAOYSA-N -1 3 335.407 2.887 20 30 EFEDHM Cc1ccc(N(CCC#N)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000118322200 1302153603 /nfs/dbraw/zinc/15/36/03/1302153603.db2.gz UBFYDUMZEUTBQO-UHFFFAOYSA-N -1 3 332.363 2.792 20 30 EFEDHM CC(=[NH+][N-]c1ccnc(N(C)C)n1)c1ccc(N2CCCC2)cc1[O-] ZINC000748251531 1313832676 /nfs/dbraw/zinc/83/26/76/1313832676.db2.gz LGHKPCSSXNWKPL-UHFFFAOYSA-N -1 3 340.431 2.685 20 30 EFEDHM Cc1ccc(C)c(S(=O)(=O)NN=Cc2c(F)ccc([O-])c2F)c1 ZINC000794457101 1302500749 /nfs/dbraw/zinc/50/07/49/1302500749.db2.gz UXYJRMIGBZDWOM-UHFFFAOYSA-N -1 3 340.351 2.600 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)c3ccccc3[O-])C2)C1 ZINC001018399056 1313844565 /nfs/dbraw/zinc/84/45/65/1313844565.db2.gz VNYYUTCPUGRURW-CABCVRRESA-N -1 3 342.439 2.858 20 30 EFEDHM COC(=O)C[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1cccc(C)c1 ZINC000864348282 1302895713 /nfs/dbraw/zinc/89/57/13/1302895713.db2.gz INJFAZQQPYGPBV-LYUVJKPTSA-N -1 3 342.395 2.620 20 30 EFEDHM C=C(Cl)C[C@H](NCc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000864518515 1302956776 /nfs/dbraw/zinc/95/67/76/1302956776.db2.gz LWGSYMHHPJHWBH-NSHDSACASA-N -1 3 328.199 2.912 20 30 EFEDHM C=C(Cl)C[C@@H](NCc1cc(Br)cnc1OC)C(=O)[O-] ZINC000864519188 1302957388 /nfs/dbraw/zinc/95/73/88/1302957388.db2.gz HOAKIOGEFSSRNM-SNVBAGLBSA-N -1 3 349.612 2.538 20 30 EFEDHM C=C(C)C[C@@H](NCc1cn(-c2ccc(F)cc2Cl)nn1)C(=O)[O-] ZINC000864530394 1302964737 /nfs/dbraw/zinc/96/47/37/1302964737.db2.gz XJDYOUBWYOJNNV-CYBMUJFWSA-N -1 3 338.770 2.569 20 30 EFEDHM C[C@@H]1CCN(CC#Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000965273123 1303099410 /nfs/dbraw/zinc/09/94/10/1303099410.db2.gz YPPDRTITIBZFAO-XLIONFOSSA-N -1 3 348.446 2.884 20 30 EFEDHM N#Cc1c2c(sc1NC=C1C(=O)[N-]C(=O)c3ccccc31)CCC2 ZINC000016719778 1303915514 /nfs/dbraw/zinc/91/55/14/1303915514.db2.gz YYURVLYPGHLJKQ-NTEUORMPSA-N -1 3 335.388 2.831 20 30 EFEDHM C=C1CCC(C(=O)N2C[C@H](NC(=O)c3ccccc3[O-])[C@@H](C)C2)CC1 ZINC000966793108 1304293686 /nfs/dbraw/zinc/29/36/86/1304293686.db2.gz UDBBJRPEIIGPGR-YOEHRIQHSA-N -1 3 342.439 2.715 20 30 EFEDHM O=C(c1cccc(-c2ccc(/C=N/[O-])c(F)c2)c1)N1CCOCC1 ZINC001240073211 1313987402 /nfs/dbraw/zinc/98/74/02/1313987402.db2.gz SXDYSQSDWHQRQM-UDWIEESQSA-N -1 3 328.343 2.773 20 30 EFEDHM CCOc1cc(C=NOCCCOC)cc(Br)c1[O-] ZINC000795053478 1304634378 /nfs/dbraw/zinc/63/43/78/1304634378.db2.gz OJYLQORTXFCKRH-UHFFFAOYSA-N -1 3 332.194 2.940 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cc(F)cc(F)c1 ZINC000122650250 1304854421 /nfs/dbraw/zinc/85/44/21/1304854421.db2.gz FXKAYTVOOPVXCM-UHFFFAOYSA-N -1 3 332.306 2.680 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(CC)c1C ZINC000870140187 1305165123 /nfs/dbraw/zinc/16/51/23/1305165123.db2.gz GDICHWQXRHKDDZ-ZDUSSCGKSA-N -1 3 340.383 2.571 20 30 EFEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1cnc(C(C)(C)C)s1 ZINC000123131809 1305328741 /nfs/dbraw/zinc/32/87/41/1305328741.db2.gz MQOZTLDRGDSFDF-FYJFLYSWSA-N -1 3 342.424 2.779 20 30 EFEDHM N#C/N=C1\SCCN1Cc1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240782233 1314071073 /nfs/dbraw/zinc/07/10/73/1314071073.db2.gz VKHBUZTVRGVBLJ-SILNSSARSA-N -1 3 328.372 2.979 20 30 EFEDHM COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-c1cc([O-])cc(F)c1 ZINC001241261307 1314106061 /nfs/dbraw/zinc/10/60/61/1314106061.db2.gz JJRJHWPGNMEDGK-ZDUSSCGKSA-N -1 3 337.310 2.922 20 30 EFEDHM N#Cc1cccnc1N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001045345877 1307261339 /nfs/dbraw/zinc/26/13/39/1307261339.db2.gz NZSMLBLSVILONC-HZPDHXFCSA-N -1 3 336.395 2.812 20 30 EFEDHM C=CC(C)(C)C(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001007892179 1307687785 /nfs/dbraw/zinc/68/77/85/1307687785.db2.gz HWDVFUXGNIAXSM-HNNXBMFYSA-N -1 3 330.428 2.571 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001007900459 1307694134 /nfs/dbraw/zinc/69/41/34/1307694134.db2.gz OJPHKEVPBJHNDV-UZLBHIALSA-N -1 3 344.455 2.961 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)c3ccccc3[O-])CC2(C)C)C1 ZINC001008557950 1308153809 /nfs/dbraw/zinc/15/38/09/1308153809.db2.gz WEGGVPACTMDDJZ-MRXNPFEDSA-N -1 3 342.439 2.715 20 30 EFEDHM COc1ccc(CCS(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000800786655 1308416744 /nfs/dbraw/zinc/41/67/44/1308416744.db2.gz PYEZCSAIGQBMLR-UHFFFAOYSA-N -1 3 334.372 2.690 20 30 EFEDHM CCCCN([O-])C(=O)C[C@H]1C(=O)Nc2c1cccc2Br ZINC000900683024 1308522542 /nfs/dbraw/zinc/52/25/42/1308522542.db2.gz SPAWSICQSQQPTC-SNVBAGLBSA-N -1 3 341.205 2.893 20 30 EFEDHM N#C/N=C1\SCCN1Cc1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243053314 1314256671 /nfs/dbraw/zinc/25/66/71/1314256671.db2.gz APBXYOLGZGGCRL-SILNSSARSA-N -1 3 328.372 2.979 20 30 EFEDHM CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1-c1cccc([O-])c1F ZINC001243547811 1314297363 /nfs/dbraw/zinc/29/73/63/1314297363.db2.gz ZNQLKAUYNGLUKP-NSHDSACASA-N -1 3 329.331 2.937 20 30 EFEDHM C=C(C)CCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001052722244 1314325716 /nfs/dbraw/zinc/32/57/16/1314325716.db2.gz JJPRTSYKLPFCNP-GJZGRUSLSA-N -1 3 330.428 2.573 20 30 EFEDHM Cc1nn(C(C)C)c(C)c1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000901173180 1309693966 /nfs/dbraw/zinc/69/39/66/1309693966.db2.gz RNMURQUMAKNESK-UHFFFAOYSA-N -1 3 334.445 2.534 20 30 EFEDHM CC(C)(C)OC(=O)N1CC(CC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901371416 1310253147 /nfs/dbraw/zinc/25/31/47/1310253147.db2.gz BMJTXDSPZBNELE-UHFFFAOYSA-N -1 3 338.379 2.801 20 30 EFEDHM CCCNC(=O)c1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901371870 1310254775 /nfs/dbraw/zinc/25/47/75/1310254775.db2.gz JRUQNDOILCGANY-UHFFFAOYSA-N -1 3 330.359 2.997 20 30 EFEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)cnn1C1CCOCC1 ZINC000901372539 1310255283 /nfs/dbraw/zinc/25/52/83/1310255283.db2.gz GHQGFYOVJZAKFI-UHFFFAOYSA-N -1 3 333.363 2.714 20 30 EFEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)nc(C(F)(F)F)n1 ZINC000901372561 1310255899 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CCOC(Cc1c(Nc2ccccc2C#N)nc[n-]c1=O)OCC ZINC001210736218 1314379217 /nfs/dbraw/zinc/37/92/17/1314379217.db2.gz GSIZMYYBOLWCEK-UHFFFAOYSA-N -1 3 328.372 2.739 20 30 EFEDHM CC(=O)N1CCCc2cc(N=Cc3ccc(O)c([O-])c3O)ccc21 ZINC000749105466 1314394002 /nfs/dbraw/zinc/39/40/02/1314394002.db2.gz SZKZNDUXRRSNJB-UHFFFAOYSA-N -1 3 326.352 2.853 20 30 EFEDHM Cc1cc(C(=O)/C=C/c2cnc(N3CCCC3)nc2)cc(O)c1[O-] ZINC000901521799 1310603523 /nfs/dbraw/zinc/60/35/23/1310603523.db2.gz HGJORGKNGJVLAV-SNAWJCMRSA-N -1 3 325.368 2.693 20 30 EFEDHM C=CCC[C@H](NCc1cccc(Cl)c1S(=O)(=O)CC)C(=O)[O-] ZINC000901693941 1310893185 /nfs/dbraw/zinc/89/31/85/1310893185.db2.gz XEMNBTKAVJPLAW-ZDUSSCGKSA-N -1 3 345.848 2.643 20 30 EFEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1Nc1cccc(F)c1C#N ZINC001067038637 1311138983 /nfs/dbraw/zinc/13/89/83/1311138983.db2.gz SBORFBWRQNZAOO-PXAZEXFGSA-N -1 3 339.370 2.976 20 30 EFEDHM COC(=O)c1cccc2[n-]c([C@](F)(Cl)O[C@H]3C=CC(=O)C3)nc21 ZINC001223404132 1311256481 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C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001070443217 1316242370 /nfs/dbraw/zinc/24/23/70/1316242370.db2.gz AWQWTKGWRKILKN-CQSZACIVSA-N -1 3 330.428 2.715 20 30 EFEDHM C#CCCC1(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)N=N1 ZINC001259473911 1316248430 /nfs/dbraw/zinc/24/84/30/1316248430.db2.gz SEOUKIQYXMUMGR-UHFFFAOYSA-N -1 3 329.784 2.723 20 30 EFEDHM C=CCOC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C)c1)[C@@H](C)CC ZINC001259750860 1316272245 /nfs/dbraw/zinc/27/22/45/1316272245.db2.gz HRICIDXYMBOQGO-HOCLYGCPSA-N -1 3 339.457 2.558 20 30 EFEDHM C=CCS(=O)(=O)[N-]c1cccc(OC)c1NC(=O)OC(C)(C)C ZINC001259931450 1316299516 /nfs/dbraw/zinc/29/95/16/1316299516.db2.gz KZAQQVDHCLHRDI-UHFFFAOYSA-N -1 3 342.417 2.970 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)o1 ZINC001260372820 1316336046 /nfs/dbraw/zinc/33/60/46/1316336046.db2.gz OHVFNLJOTOIVQQ-UHFFFAOYSA-N -1 3 331.180 2.937 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)cc1F ZINC001260661462 1316356183 /nfs/dbraw/zinc/35/61/83/1316356183.db2.gz HCZSUEBCDLXTEC-UHFFFAOYSA-N -1 3 342.298 2.785 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)cc1F ZINC001260662357 1316356407 /nfs/dbraw/zinc/35/64/07/1316356407.db2.gz NRMJFUIMRUHTFL-UHFFFAOYSA-N -1 3 342.298 2.785 20 30 EFEDHM Cn1cc(N2CC[C@@H](/N=C/c3cc(Br)ccc3[O-])C2)cn1 ZINC001318566479 1328641046 /nfs/dbraw/zinc/64/10/46/1328641046.db2.gz KWBRYGBBEAFNJR-JYINPYMRSA-N -1 3 349.232 2.586 20 30 EFEDHM N#CCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000487363237 1316406089 /nfs/dbraw/zinc/40/60/89/1316406089.db2.gz IVMSRDGRAQMABJ-UHFFFAOYSA-N -1 3 327.818 2.655 20 30 EFEDHM C#CCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001073314774 1316447834 /nfs/dbraw/zinc/44/78/34/1316447834.db2.gz HVYDCXZRNUEXTR-QGZVFWFLSA-N -1 3 342.439 2.553 20 30 EFEDHM C=CC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001073448274 1316458739 /nfs/dbraw/zinc/45/87/39/1316458739.db2.gz PGOAHCZEYMGWQL-INIZCTEOSA-N -1 3 344.455 2.961 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(CC1CC1)C1CCC1 ZINC001263316837 1316529891 /nfs/dbraw/zinc/52/98/91/1316529891.db2.gz FPYRXOBZSJAINK-UHFFFAOYSA-N -1 3 340.431 2.786 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001263323634 1316530497 /nfs/dbraw/zinc/53/04/97/1316530497.db2.gz VOMPYHARRIMWKG-MNOVXSKESA-N -1 3 335.433 2.545 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@@H](SC)C1 ZINC001263323149 1316530720 /nfs/dbraw/zinc/53/07/20/1316530720.db2.gz HSSPZMAWLLXVIN-GFCCVEGCSA-N -1 3 349.460 2.937 20 30 EFEDHM C[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C#CC(C)(C)C ZINC001074830488 1316535498 /nfs/dbraw/zinc/53/54/98/1316535498.db2.gz HOUAHMOZKQLURH-CABCVRRESA-N -1 3 342.439 2.551 20 30 EFEDHM Cc1ccn2cc(C([O-])=C(C#N)c3nc(N)c4ccccc4n3)nc2c1 ZINC001263375509 1316539051 /nfs/dbraw/zinc/53/90/51/1316539051.db2.gz QXHJHWACQMIAJZ-ZDUSSCGKSA-N -1 3 342.362 2.658 20 30 EFEDHM N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C23CCC3)nc1 ZINC001041548247 1316585927 /nfs/dbraw/zinc/58/59/27/1316585927.db2.gz LDACNYNGJCPAIO-DLBZAZTESA-N -1 3 348.406 2.812 20 30 EFEDHM N#Cc1ccc(N[C@@H]2C[C@H](NC(=O)c3ccccc3[O-])C23CCC3)nc1 ZINC001041548254 1316585936 /nfs/dbraw/zinc/58/59/36/1316585936.db2.gz LDACNYNGJCPAIO-SJORKVTESA-N -1 3 348.406 2.812 20 30 EFEDHM C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001041756526 1316683638 /nfs/dbraw/zinc/68/36/38/1316683638.db2.gz FGXOHUHXJLAAMT-MLGOLLRUSA-N -1 3 339.370 2.658 20 30 EFEDHM C=C(Br)CN(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001380939827 1347971728 /nfs/dbraw/zinc/97/17/28/1347971728.db2.gz FNZASAJKWUBTRY-UHFFFAOYSA-N -1 3 341.249 2.695 20 30 EFEDHM C=CCC[C@@H](NCc1ccc(OC)c(O)c1Br)C(=O)[O-] ZINC001326323465 1329747114 /nfs/dbraw/zinc/74/71/14/1329747114.db2.gz IZYHSCVZPPIQST-SNVBAGLBSA-N -1 3 344.205 2.672 20 30 EFEDHM [O-]c1c(C=NNC(=S)NCc2cccnc2)ccc2ccccc21 ZINC001327803068 1330517026 /nfs/dbraw/zinc/51/70/26/1330517026.db2.gz WXYFHIDCCGJILP-UHFFFAOYSA-N -1 3 336.420 2.939 20 30 EFEDHM C=CC[C@@H](NCc1ccc(Br)cc1[O-])C(=O)OCC ZINC001328201840 1330567899 /nfs/dbraw/zinc/56/78/99/1330567899.db2.gz YLOUQPNWGNZFAB-GFCCVEGCSA-N -1 3 328.206 2.752 20 30 EFEDHM C=CC[C@H](NCc1ccc(Br)cc1[O-])C(=O)OCC ZINC001328201841 1330567903 /nfs/dbraw/zinc/56/79/03/1330567903.db2.gz YLOUQPNWGNZFAB-LBPRGKRZSA-N -1 3 328.206 2.752 20 30 EFEDHM CC#CC[C@@H](NCc1ccc(OC(F)F)cc1OC(F)F)C(=O)[O-] ZINC001332032961 1330907420 /nfs/dbraw/zinc/90/74/20/1330907420.db2.gz RCTFGAGPCRGUHG-LLVKDONJSA-N -1 3 349.280 2.846 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC(CC(C)C)CC1 ZINC001338833940 1331743921 /nfs/dbraw/zinc/74/39/21/1331743921.db2.gz HPYJBPQKPDJTST-UHFFFAOYSA-N -1 3 342.447 2.889 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001338963206 1331762088 /nfs/dbraw/zinc/76/20/88/1331762088.db2.gz HVICGCGMGDJOSI-CQSZACIVSA-N -1 3 340.431 2.643 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@@H](SC)C1 ZINC001339656195 1331922218 /nfs/dbraw/zinc/92/22/18/1331922218.db2.gz GVHFVIHLSIWATH-LLVKDONJSA-N -1 3 335.433 2.547 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](CC)CC[C@H]1C ZINC001340343866 1332177833 /nfs/dbraw/zinc/17/78/33/1332177833.db2.gz YMQBEIMHNWFMMC-CHWSQXEVSA-N -1 3 328.420 2.642 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@]2(CCSC2)C1 ZINC001340380892 1332184747 /nfs/dbraw/zinc/18/47/47/1332184747.db2.gz YASUJYOCAOVIIF-INIZCTEOSA-N -1 3 347.444 2.548 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)CCc1cccs1 ZINC001340502355 1332197383 /nfs/dbraw/zinc/19/73/83/1332197383.db2.gz RIRREKJYFQSQKH-UHFFFAOYSA-N -1 3 331.401 2.565 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC001342150843 1332310551 /nfs/dbraw/zinc/31/05/51/1332310551.db2.gz VMZLEVPXLHLUKW-GUTXKFCHSA-N -1 3 340.431 2.642 20 30 EFEDHM Cn1ccnc1C(C#N)=C([O-])c1cnn(-c2ccccc2)c1C1CC1 ZINC001342173246 1332312985 /nfs/dbraw/zinc/31/29/85/1332312985.db2.gz KYDNJUFAALYCRB-HNNXBMFYSA-N -1 3 331.379 2.973 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001343581802 1332359810 /nfs/dbraw/zinc/35/98/10/1332359810.db2.gz VGTFNHADUGHRCE-DZGCQCFKSA-N -1 3 340.431 2.786 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)C1CC(C)(C)C1 ZINC001345973536 1332589324 /nfs/dbraw/zinc/58/93/24/1332589324.db2.gz IVXNPBKMYJLKTD-UHFFFAOYSA-N -1 3 342.447 2.950 20 30 EFEDHM CC(C)n1ncc2cc(C([O-])=C(C#N)c3ncc(Cl)n3C)cnc21 ZINC001349701341 1332986692 /nfs/dbraw/zinc/98/66/92/1332986692.db2.gz DFLIXKPQYZGMPM-LBPRGKRZSA-N -1 3 342.790 2.889 20 30 EFEDHM C=C[C@H](CCC(=O)[O-])NCc1cn2ccc(Br)cc2n1 ZINC001350652749 1333109093 /nfs/dbraw/zinc/10/90/93/1333109093.db2.gz JVFNUAPXVZQGPX-LLVKDONJSA-N -1 3 338.205 2.606 20 30 EFEDHM CC#CC[C@H](NCc1ccc(Br)c(F)c1F)C(=O)[O-] ZINC001350668049 1333111035 /nfs/dbraw/zinc/11/10/35/1333111035.db2.gz OKHMCAGOTXBTDY-JTQLQIEISA-N -1 3 332.144 2.684 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC)C(C)C)ccc1F ZINC000847172939 1333377064 /nfs/dbraw/zinc/37/70/64/1333377064.db2.gz NZSOZAYNSPWQLP-UHFFFAOYSA-N -1 3 342.436 2.551 20 30 EFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)sc1-c1ccccc1 ZINC000848130269 1334342464 /nfs/dbraw/zinc/34/24/64/1334342464.db2.gz HUVGQTYIUQUAQR-ZDUSSCGKSA-N -1 3 330.409 2.834 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c(Cl)cc(Cl)cc1Cl ZINC000848131281 1334343625 /nfs/dbraw/zinc/34/36/25/1334343625.db2.gz BYTFPMHQNJHMGN-SECBINFHSA-N -1 3 337.590 2.757 20 30 EFEDHM CC12CC3(C)CC(C)(C1)CC(C(=O)N[C@H]1CCCN([O-])C1=O)(C2)C3 ZINC000848134175 1334347422 /nfs/dbraw/zinc/34/74/22/1334347422.db2.gz PAWSVIJVZCWPAR-XQXASTNHSA-N -1 3 334.460 2.870 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC000848136641 1334348704 /nfs/dbraw/zinc/34/87/04/1334348704.db2.gz ORZYVCITXNLFEA-LLVKDONJSA-N -1 3 343.210 2.521 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000848137570 1334349179 /nfs/dbraw/zinc/34/91/79/1334349179.db2.gz GXHGFIGQFCNEQL-KRWDZBQOSA-N -1 3 341.411 2.547 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](CCC)C1 ZINC001355969333 1334920894 /nfs/dbraw/zinc/92/08/94/1334920894.db2.gz SERVKBZDMQXMKC-CYBMUJFWSA-N -1 3 328.420 2.643 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CCC(C)C)C1CC1 ZINC001356132894 1334967540 /nfs/dbraw/zinc/96/75/40/1334967540.db2.gz BIICUHOCBVDJLF-UHFFFAOYSA-N -1 3 342.447 2.950 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](C)CC(C)(C)C1 ZINC001356135268 1334968311 /nfs/dbraw/zinc/96/83/11/1334968311.db2.gz VGJOHLSBQICLLU-LBPRGKRZSA-N -1 3 342.447 2.808 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1cccs1 ZINC001356462316 1335039866 /nfs/dbraw/zinc/03/98/66/1335039866.db2.gz ATZNXGIJKAGYPE-UHFFFAOYSA-N -1 3 331.401 2.913 20 30 EFEDHM CCn1ncc(C([O-])=C(C#N)c2nccn2Cc2ccccc2)c1C ZINC001356567059 1335054197 /nfs/dbraw/zinc/05/41/97/1335054197.db2.gz KUIAKFKEKVZXGU-MRXNPFEDSA-N -1 3 333.395 2.946 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H](OC2CCCC2)C(F)(F)F)c1[O-] ZINC000849170083 1335563230 /nfs/dbraw/zinc/56/32/30/1335563230.db2.gz KUXATVAMNXRDHF-UJMBYILYSA-N -1 3 346.349 2.897 20 30 EFEDHM COc1cc(C(=O)/C=C/c2ccnn2CC2CC2)c(OC)cc1[O-] ZINC000849246874 1335576888 /nfs/dbraw/zinc/57/68/88/1335576888.db2.gz MPNMZAHUXMUBRV-AATRIKPKSA-N -1 3 328.368 2.912 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000940303378 1335922396 /nfs/dbraw/zinc/92/23/96/1335922396.db2.gz VZIDKBMSAWCKKY-IBGZPJMESA-N -1 3 330.428 2.669 20 30 EFEDHM C=C1CCC(C(=O)N2CCCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000940303384 1335922425 /nfs/dbraw/zinc/92/24/25/1335922425.db2.gz WFFFPIUZTLCZBZ-UHFFFAOYSA-N -1 3 342.439 2.813 20 30 EFEDHM CC(C)(C)c1cc(C(=O)[N-]c2ncc3c(c2C#N)COCC3)no1 ZINC001361874498 1336389937 /nfs/dbraw/zinc/38/99/37/1336389937.db2.gz DFCHLWKMDRAZFH-UHFFFAOYSA-N -1 3 326.356 2.564 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C(C)C)co1 ZINC001361921700 1336417793 /nfs/dbraw/zinc/41/77/93/1336417793.db2.gz JXQUNSFWNZQPNY-UHFFFAOYSA-N -1 3 328.372 2.958 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)[n-]n1 ZINC001362593224 1336667097 /nfs/dbraw/zinc/66/70/97/1336667097.db2.gz DGTIZWXOKVXFRS-KRWDZBQOSA-N -1 3 330.388 2.778 20 30 EFEDHM CC(C)(C)OC(=O)c1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)n[n-]1 ZINC001362593224 1336667099 /nfs/dbraw/zinc/66/70/99/1336667099.db2.gz DGTIZWXOKVXFRS-KRWDZBQOSA-N -1 3 330.388 2.778 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC=C(Cl)Cl ZINC001365739903 1337242636 /nfs/dbraw/zinc/24/26/36/1337242636.db2.gz DDMQIRJFTZDSST-UHFFFAOYSA-N -1 3 325.604 2.809 20 30 EFEDHM C=C(Cl)CNCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001405546793 1366284700 /nfs/dbraw/zinc/28/47/00/1366284700.db2.gz PUUBKDRCFFDPJD-UHFFFAOYSA-N -1 3 331.803 2.559 20 30 EFEDHM CCN(CCNC(=O)c1ccccc1[O-])Cc1ccc(C#N)cc1F ZINC001418536568 1374146665 /nfs/dbraw/zinc/14/66/65/1374146665.db2.gz NGLVASFYUMTAGL-UHFFFAOYSA-N -1 3 341.386 2.655 20 30 EFEDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)o1 ZINC001424427183 1383009584 /nfs/dbraw/zinc/00/95/84/1383009584.db2.gz ZRAGCUXWELLPDO-UHFFFAOYSA-N -1 3 344.314 2.957 20 30 EFEDHM C=C(Cl)CN(CC)CC1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001424665379 1383240272 /nfs/dbraw/zinc/24/02/72/1383240272.db2.gz SNTLLGDFUHYVHJ-UHFFFAOYSA-N -1 3 337.851 2.714 20 30 EFEDHM Cc1cc2c(NC(=O)c3c[n-]c4ccccc4c3=O)n[nH]c2cc1C#N ZINC001469795559 1397055195 /nfs/dbraw/zinc/05/51/95/1397055195.db2.gz NNNDAXPQTPDETL-UHFFFAOYSA-N -1 3 343.346 2.837 20 30 EFEDHM N#Cc1cccc(-c2nc([N-]C(=O)c3coc(C4CCC4)n3)n[nH]2)c1 ZINC001472636051 1397265252 /nfs/dbraw/zinc/26/52/52/1397265252.db2.gz UOZOHFRYOGQDCY-UHFFFAOYSA-N -1 3 334.339 2.851 20 30 EFEDHM C=CC(C)(C)C(=O)N[C@H](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001497584341 1401473232 /nfs/dbraw/zinc/47/32/32/1401473232.db2.gz VZIHCCRKILAPOY-CQSZACIVSA-N -1 3 344.455 2.961 20 30 EFEDHM CO[C@@H]1C[C@H](C/N=C\c2cc(Cl)ccc2[O-])N(c2ccncn2)C1 ZINC001551948068 1414290095 /nfs/dbraw/zinc/29/00/95/1414290095.db2.gz NAZRJBKGRYASDF-CLXMLDMFSA-N -1 3 346.818 2.548 20 30 EFEDHM Cn1cc([C@H]2OCCC[C@@H]2C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001552305653 1414417531 /nfs/dbraw/zinc/41/75/31/1414417531.db2.gz UDEPSZDQYDOORR-GOEBONIOSA-N -1 3 349.818 2.959 20 30 EFEDHM Cc1ccc(CSc2nc(NC(=O)c3cc(C#N)c[nH]3)n[n-]2)cc1 ZINC001558792870 1415202739 /nfs/dbraw/zinc/20/27/39/1415202739.db2.gz FCCJQJSPNKZVFF-UHFFFAOYSA-N -1 3 338.396 2.858 20 30 EFEDHM CCN(Cc1ccnc(-c2nnn[n-]2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825439862 1429419466 /nfs/dbraw/zinc/41/94/66/1429419466.db2.gz QYQJAVLGFCJUKP-ZDUSSCGKSA-N -1 3 333.399 2.716 20 30 EFEDHM CCN(Cc1ccnc(-c2nn[n-]n2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000825439862 1429419468 /nfs/dbraw/zinc/41/94/68/1429419468.db2.gz QYQJAVLGFCJUKP-ZDUSSCGKSA-N -1 3 333.399 2.716 20 30 EFEDHM C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735408413 1427848502 /nfs/dbraw/zinc/84/85/02/1427848502.db2.gz LBSZVWSDGWTLPW-AWEZNQCLSA-N -1 3 342.447 2.872 20 30 EFEDHM C#CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCc2ccccc21 ZINC001139854190 1429864689 /nfs/dbraw/zinc/86/46/89/1429864689.db2.gz YGICTWQYTQKYMX-LJQANCHMSA-N -1 3 329.407 2.989 20 30 EFEDHM C#CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCc2ccccc21 ZINC001139854190 1429864696 /nfs/dbraw/zinc/86/46/96/1429864696.db2.gz YGICTWQYTQKYMX-LJQANCHMSA-N -1 3 329.407 2.989 20 30 EFEDHM C=CCN(CCc1c(C)noc1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823903459 1443681561 /nfs/dbraw/zinc/68/15/61/1443681561.db2.gz AVTNYKVRASWHPY-UHFFFAOYSA-N -1 3 338.415 2.702 20 30 EFEDHM C=CCN(CCc1c(C)noc1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903459 1443681566 /nfs/dbraw/zinc/68/15/66/1443681566.db2.gz AVTNYKVRASWHPY-UHFFFAOYSA-N -1 3 338.415 2.702 20 30 EFEDHM N#CC1(c2ccccc2)CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001139091373 1446907249 /nfs/dbraw/zinc/90/72/49/1446907249.db2.gz LATIUXWJCLPROM-UHFFFAOYSA-N -1 3 344.422 2.924 20 30 EFEDHM N#CC1(c2ccccc2)CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001139091373 1446907251 /nfs/dbraw/zinc/90/72/51/1446907251.db2.gz LATIUXWJCLPROM-UHFFFAOYSA-N -1 3 344.422 2.924 20 30 EFEDHM CC[C@](C)([N-]S(=O)(=O)c1cccc(F)c1C#N)c1nccs1 ZINC000120422671 713113350 /nfs/dbraw/zinc/11/33/50/713113350.db2.gz LUDRAMRHSYORKT-AWEZNQCLSA-N -1 3 339.417 2.758 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC000971373958 714540750 /nfs/dbraw/zinc/54/07/50/714540750.db2.gz OMWIGNSMRNLGDY-AKCHCHLHSA-N -1 3 342.439 2.667 20 30 EFEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000891702179 714963284 /nfs/dbraw/zinc/96/32/84/714963284.db2.gz IXMMAZQKESPHHH-UHFFFAOYSA-N -1 3 342.374 2.591 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2[O-])C1 ZINC000975909854 716042587 /nfs/dbraw/zinc/04/25/87/716042587.db2.gz DVNSQKLLTNJXCD-HNNXBMFYSA-N -1 3 342.439 2.859 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2ccccc2n1 ZINC000255680525 717402497 /nfs/dbraw/zinc/40/24/97/717402497.db2.gz DYXTZYQOYBKCIG-SNGWPZLWSA-N -1 3 342.358 2.991 20 30 EFEDHM C=CC(C)(C)C(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])[C@H]2C1 ZINC000979870512 717528683 /nfs/dbraw/zinc/52/86/83/717528683.db2.gz BFPAUIOJPXXLSE-BPUTZDHNSA-N -1 3 342.439 2.571 20 30 EFEDHM N#Cc1ccccc1CN1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC000980730631 717652946 /nfs/dbraw/zinc/65/29/46/717652946.db2.gz KKNFCAGUFYLATN-UHFFFAOYSA-N -1 3 335.407 2.612 20 30 EFEDHM C=C1CC(C)(C(=O)NC2CCC(NC(=O)c3ccccc3[O-])CC2)C1 ZINC000980073087 717717438 /nfs/dbraw/zinc/71/74/38/717717438.db2.gz UUPVWSVCSVHELY-UHFFFAOYSA-N -1 3 342.439 2.906 20 30 EFEDHM N#CC1CCC(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CC1 ZINC000935816994 718357032 /nfs/dbraw/zinc/35/70/32/718357032.db2.gz SQDVZKZQWNVXTG-UHFFFAOYSA-N -1 3 345.349 2.866 20 30 EFEDHM N#Cc1c(Cl)nsc1N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001059553836 724500457 /nfs/dbraw/zinc/50/04/57/724500457.db2.gz CNMWSTOXJDTCQQ-DTORHVGOSA-N -1 3 348.815 2.747 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnn(C(C)C)c1C ZINC000181253626 718412488 /nfs/dbraw/zinc/41/24/88/718412488.db2.gz ZKWYNSGWOZWDNY-CYBMUJFWSA-N -1 3 340.383 2.742 20 30 EFEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@]1(N2CCOCC2)CCSC1 ZINC000122557983 719335418 /nfs/dbraw/zinc/33/54/18/719335418.db2.gz XLKURUXABMQDRA-VHWUNXFSSA-N -1 3 340.876 2.672 20 30 EFEDHM [O-]c1cc(Br)ccc1C=NNCCOCC(F)(F)F ZINC000853326166 719497080 /nfs/dbraw/zinc/49/70/80/719497080.db2.gz USDOHEUXOLBSII-UHFFFAOYSA-N -1 3 341.127 2.657 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1c(Cl)nc2ccccn21 ZINC000053527671 720822134 /nfs/dbraw/zinc/82/21/34/720822134.db2.gz AQECVYUSQKIWKQ-UHFFFAOYSA-N -1 3 339.746 2.804 20 30 EFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1csc([C@@H]2CCCO2)n1 ZINC000330166007 720833012 /nfs/dbraw/zinc/83/30/12/720833012.db2.gz XOPJKCAJTQMLNP-ZETCQYMHSA-N -1 3 347.322 2.636 20 30 EFEDHM Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(Br)cc1C#N)C2 ZINC000931313519 721052093 /nfs/dbraw/zinc/05/20/93/721052093.db2.gz JXQJRXGVUQYPRZ-UHFFFAOYSA-N -1 3 345.200 2.641 20 30 EFEDHM COc1ccc(C(F)(F)C(=O)[N-]C2(C#N)CCSCC2)cc1 ZINC000162776046 721113197 /nfs/dbraw/zinc/11/31/97/721113197.db2.gz DBTQMKBMMPWRCK-UHFFFAOYSA-N -1 3 326.368 2.693 20 30 EFEDHM CCC(=NNC(=S)N(C)C)c1cc(Br)ccc1[O-] ZINC000731561056 726895168 /nfs/dbraw/zinc/89/51/68/726895168.db2.gz LWFZLBMELJOOFA-UHFFFAOYSA-N -1 3 330.251 2.705 20 30 EFEDHM C(=N[N-]c1[nH+]cnc2[n-]cnc21)c1ccccc1OCc1ccccn1 ZINC000917555683 728759859 /nfs/dbraw/zinc/75/98/59/728759859.db2.gz MDPMUCQEXOMSLC-UHFFFAOYSA-N -1 3 345.366 2.773 20 30 EFEDHM C[C@@H](CN1CCCC1=O)/N=C\c1cc(Br)ccc1[O-] ZINC000917557259 728759889 /nfs/dbraw/zinc/75/98/89/728759889.db2.gz CSILOTIKHHQGNT-SYEOYNTFSA-N -1 3 325.206 2.585 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196445 722887014 /nfs/dbraw/zinc/88/70/14/722887014.db2.gz WCRZNVUQMTYOIE-MGPUTAFESA-N -1 3 344.455 2.963 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196554 722887200 /nfs/dbraw/zinc/88/72/00/722887200.db2.gz XWUNKNZEQOTJRX-CVEARBPZSA-N -1 3 344.455 2.963 20 30 EFEDHM Cc1ccc(-c2ncc(CN[C@H]3CCCN([O-])C3=O)s2)cc1C ZINC000895156314 723482176 /nfs/dbraw/zinc/48/21/76/723482176.db2.gz BPOPYTSYJCGYHE-HNNXBMFYSA-N -1 3 331.441 2.897 20 30 EFEDHM Cc1ccc(-c2ncc(CN[C@@H]3CCCN([O-])C3=O)s2)cc1C ZINC000895156324 723482189 /nfs/dbraw/zinc/48/21/89/723482189.db2.gz BPOPYTSYJCGYHE-OAHLLOKOSA-N -1 3 331.441 2.897 20 30 EFEDHM O=C1[C@H](NCc2oc3ccccc3c2Br)CCCN1[O-] ZINC000895158137 723485866 /nfs/dbraw/zinc/48/58/66/723485866.db2.gz XEISPYPBADIVHQ-SNVBAGLBSA-N -1 3 339.189 2.665 20 30 EFEDHM O=C1[C@H](NCc2c(OC(F)F)ccc3ccccc32)CCCN1[O-] ZINC000895166243 723511324 /nfs/dbraw/zinc/51/13/24/723511324.db2.gz PMKGDSCEPQJASX-CQSZACIVSA-N -1 3 336.338 2.911 20 30 EFEDHM O=C1[C@@H](NCC2=Cc3cc(Cl)cc(Cl)c3OC2)CCCN1[O-] ZINC000895167544 723516799 /nfs/dbraw/zinc/51/67/99/723516799.db2.gz XWBPINJVIHUXNM-ZDUSSCGKSA-N -1 3 343.210 2.739 20 30 EFEDHM COc1cc(CC/N=C/c2c([O-])c(C)ncc2CO)ccc1Cl ZINC000840706704 723568440 /nfs/dbraw/zinc/56/84/40/723568440.db2.gz NUPYOPNZNBOTKA-DJKKODMXSA-N -1 3 334.803 2.912 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCOc2ccc(F)c(Cl)c2)c1[O-] ZINC000840706831 723569904 /nfs/dbraw/zinc/56/99/04/723569904.db2.gz LBDQEGUUNLEVEB-UFWORHAWSA-N -1 3 338.766 2.878 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(OC(F)F)c(F)c2)c1[O-] ZINC000840707770 723795770 /nfs/dbraw/zinc/79/57/70/723795770.db2.gz YIQPYFSHBJKCPE-SCDVKCJHSA-N -1 3 340.301 2.948 20 30 EFEDHM C#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])CC1 ZINC001060718839 728889744 /nfs/dbraw/zinc/88/97/44/728889744.db2.gz OCNOTYDUZOOLPJ-WKILWMFISA-N -1 3 342.439 2.601 20 30 EFEDHM C=C1CCC(C(=O)NCC2CC(NC(=O)c3ccccc3[O-])C2)CC1 ZINC000992373695 725756332 /nfs/dbraw/zinc/75/63/32/725756332.db2.gz RDPPAVTXCSMJEU-UHFFFAOYSA-N -1 3 342.439 2.763 20 30 EFEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cncc(F)c1 ZINC000151617984 725792551 /nfs/dbraw/zinc/79/25/51/725792551.db2.gz ZMYBMUPIDIJUJH-LLVKDONJSA-N -1 3 335.697 2.974 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC1(Cl)Cl ZINC000913865796 725905166 /nfs/dbraw/zinc/90/51/66/725905166.db2.gz UNRBGMSNWFGTEC-SNVBAGLBSA-N -1 3 342.226 2.518 20 30 EFEDHM C[C@H]1C[C@H](NCc2ccccc2C#N)CN1C(=O)c1ccccc1[O-] ZINC000988166183 726102572 /nfs/dbraw/zinc/10/25/72/726102572.db2.gz NVJJLIZGZHUCHL-YOEHRIQHSA-N -1 3 335.407 2.657 20 30 EFEDHM O=C(C/N=C\c1cc(Br)ccc1[O-])NCc1ccccc1 ZINC000915115032 726873294 /nfs/dbraw/zinc/87/32/94/726873294.db2.gz TUUSPZSFDIYBGR-ZDLGFXPLSA-N -1 3 347.212 2.890 20 30 EFEDHM C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(C)C ZINC000915155243 726885009 /nfs/dbraw/zinc/88/50/09/726885009.db2.gz KHSCYPRFNQWIKR-UHFFFAOYSA-N -1 3 342.436 2.549 20 30 EFEDHM O=Cc1ccc(OC(F)(F)C(=O)[N-]CC#Cc2ccccc2)cc1 ZINC000731604346 726904273 /nfs/dbraw/zinc/90/42/73/726904273.db2.gz ZFGNRKRNCTYARL-UHFFFAOYSA-N -1 3 329.302 2.639 20 30 EFEDHM N#Cc1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1Cl ZINC000908047152 727086683 /nfs/dbraw/zinc/08/66/83/727086683.db2.gz YHFJKQPRYAKVGX-UHFFFAOYSA-N -1 3 328.759 2.515 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 ZINC000908407890 727180177 /nfs/dbraw/zinc/18/01/77/727180177.db2.gz XTJCFBFGRMLETQ-NXIHDVOMSA-N -1 3 346.280 2.512 20 30 EFEDHM N#Cc1ccc(NC2CCC(NC(=O)c3ccccc3[O-])CC2)cn1 ZINC001060566159 727186095 /nfs/dbraw/zinc/18/60/95/727186095.db2.gz DRCVEDQPNVEQST-UHFFFAOYSA-N -1 3 336.395 2.812 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)NC2(C(=O)[O-])CCCCCC2)CC1 ZINC000908946186 727290984 /nfs/dbraw/zinc/29/09/84/727290984.db2.gz OSQRFSXHWHCFIO-UHFFFAOYSA-N -1 3 337.464 2.504 20 30 EFEDHM COc1cc(C=NN=c2[nH]c3ccccc3n2C)c([N+](=O)[O-])cc1[O-] ZINC000915971081 727644041 /nfs/dbraw/zinc/64/40/41/727644041.db2.gz CESZXDCLCKYSNW-UHFFFAOYSA-N -1 3 341.327 2.642 20 30 EFEDHM Cc1ncc(CO)c(C=Nc2ccc(OCC(F)(F)F)nc2)c1[O-] ZINC000915978729 727644843 /nfs/dbraw/zinc/64/48/43/727644843.db2.gz IXVSUOYZRSRMSQ-UHFFFAOYSA-N -1 3 341.289 2.675 20 30 EFEDHM CCNc1nc(=NN=C(C)c2cc(Cl)ccc2[O-])nc(NCC)[nH]1 ZINC000916306603 727673410 /nfs/dbraw/zinc/67/34/10/727673410.db2.gz OWOUKFBFJOFYHI-UHFFFAOYSA-N -1 3 349.826 2.930 20 30 EFEDHM COc1cc(C=NN2C(=S)N=NC2C(C)C)cc(Cl)c1[O-] ZINC000916310824 727676082 /nfs/dbraw/zinc/67/60/82/727676082.db2.gz LSDDXUFWMCLLML-UHFFFAOYSA-N -1 3 326.809 2.940 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060330536 728285306 /nfs/dbraw/zinc/28/53/06/728285306.db2.gz FCUGBFJUEYGMHK-MGPUTAFESA-N -1 3 344.455 2.963 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(F)cc(F)c1 ZINC000129837924 728299311 /nfs/dbraw/zinc/29/93/11/728299311.db2.gz FLHZGPWWXRNAPB-ZDUSSCGKSA-N -1 3 330.290 2.935 20 30 EFEDHM C=CCSCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000172600108 728598285 /nfs/dbraw/zinc/59/82/85/728598285.db2.gz NEASRXWFVCTVQI-UHFFFAOYSA-N -1 3 327.258 2.586 20 30 EFEDHM C#CCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000173788872 728635622 /nfs/dbraw/zinc/63/56/22/728635622.db2.gz WQCOSAGJFHULQV-UHFFFAOYSA-N -1 3 336.638 2.794 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000939482477 728963198 /nfs/dbraw/zinc/96/31/98/728963198.db2.gz NSGBGCRYORQWIS-LIRRHRJNSA-N -1 3 330.428 2.667 20 30 EFEDHM C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000939500302 728968410 /nfs/dbraw/zinc/96/84/10/728968410.db2.gz KMVBVKOMSXCWOP-GFCCVEGCSA-N -1 3 336.819 2.502 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000919326672 729005182 /nfs/dbraw/zinc/00/51/82/729005182.db2.gz AVRSTPUXKJXPOM-CYBMUJFWSA-N -1 3 343.383 2.724 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000919326672 729005186 /nfs/dbraw/zinc/00/51/86/729005186.db2.gz AVRSTPUXKJXPOM-CYBMUJFWSA-N -1 3 343.383 2.724 20 30 EFEDHM Cc1cc(C)c2c(c1)OCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920383706 729178242 /nfs/dbraw/zinc/17/82/42/729178242.db2.gz JHUZHYLKRRTZCD-UHFFFAOYSA-N -1 3 344.436 2.910 20 30 EFEDHM COc1ccc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)c(F)c1 ZINC000920384229 729178305 /nfs/dbraw/zinc/17/83/05/729178305.db2.gz XEDCRIKGODODPY-UHFFFAOYSA-N -1 3 336.388 2.678 20 30 EFEDHM CO[C@@H](C)C(=O)Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000920833182 729235484 /nfs/dbraw/zinc/23/54/84/729235484.db2.gz HMDDBGKBEWSQMW-JTQLQIEISA-N -1 3 330.340 2.527 20 30 EFEDHM N#CCOc1ccc(Cl)cc1CN1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001601073898 970927563 /nfs/dbraw/zinc/92/75/63/970927563.db2.gz CUSXDHVNHCBYPS-LSDHHAIUSA-N -1 3 334.803 2.785 20 30 EFEDHM N#Cc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822823604 946196450 /nfs/dbraw/zinc/19/64/50/946196450.db2.gz UDMXEDAAHLNQJV-VMPITWQZSA-N -1 3 334.314 2.529 20 30 EFEDHM N#Cc1cc(F)ccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822823604 946196457 /nfs/dbraw/zinc/19/64/57/946196457.db2.gz UDMXEDAAHLNQJV-VMPITWQZSA-N -1 3 334.314 2.529 20 30 EFEDHM C=C[C@H](CC)OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000823882684 946499061 /nfs/dbraw/zinc/49/90/61/946499061.db2.gz BOLFIBDGAUQNLI-DOMZBBRYSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C[C@H](CC)OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000823882684 946499067 /nfs/dbraw/zinc/49/90/67/946499067.db2.gz BOLFIBDGAUQNLI-DOMZBBRYSA-N -1 3 330.388 2.778 20 30 EFEDHM C#C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)(C)C ZINC001573279641 946646043 /nfs/dbraw/zinc/64/60/43/946646043.db2.gz JWGQXZMXPSDJGE-LBPRGKRZSA-N -1 3 332.795 2.690 20 30 EFEDHM C#C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)(C)C ZINC001573279641 946646045 /nfs/dbraw/zinc/64/60/45/946646045.db2.gz JWGQXZMXPSDJGE-LBPRGKRZSA-N -1 3 332.795 2.690 20 30 EFEDHM C#CCCOc1ccc(C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)cc1 ZINC001573282565 946692672 /nfs/dbraw/zinc/69/26/72/946692672.db2.gz KJKNGJVELAPTKQ-UHFFFAOYSA-N -1 3 347.378 2.830 20 30 EFEDHM C#CCCOc1ccc(C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)cc1 ZINC001573282565 946692680 /nfs/dbraw/zinc/69/26/80/946692680.db2.gz KJKNGJVELAPTKQ-UHFFFAOYSA-N -1 3 347.378 2.830 20 30 EFEDHM C#CC[C@H]1CCCN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001573285016 946765000 /nfs/dbraw/zinc/76/50/00/946765000.db2.gz PZDSRLDPLRMRNA-NSHDSACASA-N -1 3 346.232 2.869 20 30 EFEDHM C#CC[C@H]1CCCN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001573285016 946765007 /nfs/dbraw/zinc/76/50/07/946765007.db2.gz PZDSRLDPLRMRNA-NSHDSACASA-N -1 3 346.232 2.869 20 30 EFEDHM C=CCCC(=O)Oc1c(F)cc(-c2nnn[n-]2)cc1Br ZINC001573327906 947398801 /nfs/dbraw/zinc/39/88/01/947398801.db2.gz NTGOKPDAYOTQRZ-UHFFFAOYSA-N -1 3 341.140 2.640 20 30 EFEDHM C=CCCC(=O)Oc1c(F)cc(-c2nn[n-]n2)cc1Br ZINC001573327906 947398813 /nfs/dbraw/zinc/39/88/13/947398813.db2.gz NTGOKPDAYOTQRZ-UHFFFAOYSA-N -1 3 341.140 2.640 20 30 EFEDHM C=CCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573334981 947466682 /nfs/dbraw/zinc/46/66/82/947466682.db2.gz SPPKOOKSDYTSPF-UHFFFAOYSA-N -1 3 340.431 2.827 20 30 EFEDHM C=CCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573334981 947466689 /nfs/dbraw/zinc/46/66/89/947466689.db2.gz SPPKOOKSDYTSPF-UHFFFAOYSA-N -1 3 340.431 2.827 20 30 EFEDHM C=CCCOCCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001573341271 947526601 /nfs/dbraw/zinc/52/66/01/947526601.db2.gz JUULNDSMWJOFRH-UHFFFAOYSA-N -1 3 346.387 2.544 20 30 EFEDHM C=CCCOCCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001573341271 947526616 /nfs/dbraw/zinc/52/66/16/947526616.db2.gz JUULNDSMWJOFRH-UHFFFAOYSA-N -1 3 346.387 2.544 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1O ZINC000826178576 947552432 /nfs/dbraw/zinc/55/24/32/947552432.db2.gz DFAQDANNSABMMS-KXFIGUGUSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1O ZINC000826178576 947552441 /nfs/dbraw/zinc/55/24/41/947552441.db2.gz DFAQDANNSABMMS-KXFIGUGUSA-N -1 3 340.314 2.616 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2cccc(-c3nnn[n-]3)c2C)cc1 ZINC001573348747 947586336 /nfs/dbraw/zinc/58/63/36/947586336.db2.gz UQKBPYMIUBFURE-UHFFFAOYSA-N -1 3 336.351 2.959 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2cccc(-c3nn[n-]n3)c2C)cc1 ZINC001573348747 947586345 /nfs/dbraw/zinc/58/63/45/947586345.db2.gz UQKBPYMIUBFURE-UHFFFAOYSA-N -1 3 336.351 2.959 20 30 EFEDHM CC#CC(=O)Nc1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001573359477 947687749 /nfs/dbraw/zinc/68/77/49/947687749.db2.gz VOBSFTJFEOHPAF-UHFFFAOYSA-N -1 3 335.392 2.980 20 30 EFEDHM CC#CC(=O)Nc1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001573359477 947687753 /nfs/dbraw/zinc/68/77/53/947687753.db2.gz VOBSFTJFEOHPAF-UHFFFAOYSA-N -1 3 335.392 2.980 20 30 EFEDHM O=C([O-])CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923273233 957112745 /nfs/dbraw/zinc/11/27/45/957112745.db2.gz VBUGZSOUEDZJTQ-PHDIDXHHSA-N -1 3 341.198 2.564 20 30 EFEDHM C[C@@H](CN(Cc1cnc2ccc(C#N)cn12)Cc1ccccc1)C(=O)[O-] ZINC001592604449 978542798 /nfs/dbraw/zinc/54/27/98/978542798.db2.gz CCBFLSAZOQVHIX-HNNXBMFYSA-N -1 3 348.406 2.929 20 30 EFEDHM C#CCOc1ccccc1CN1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000901785012 980514719 /nfs/dbraw/zinc/51/47/19/980514719.db2.gz BBEHHFZJDZNZGK-HNNXBMFYSA-N -1 3 327.302 2.538 20 30 EFEDHM CC[C@@H](C)N[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccco1 ZINC001594994510 982877121 /nfs/dbraw/zinc/87/71/21/982877121.db2.gz NGBSRVSWDSVUCV-ABAIWWIYSA-N -1 3 328.372 2.786 20 30 EFEDHM C#CCN1CCC(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])CC1 ZINC001588471412 983506173 /nfs/dbraw/zinc/50/61/73/983506173.db2.gz MVYGIUJTNFUXIK-UHFFFAOYSA-N -1 3 328.412 2.792 20 30 EFEDHM C#CCOc1ccc(CNCc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1 ZINC001588497349 983538191 /nfs/dbraw/zinc/53/81/91/983538191.db2.gz AAFZZORWDMDZJU-HNNXBMFYSA-N -1 3 339.391 2.840 20 30 EFEDHM C#CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC001588497640 983540131 /nfs/dbraw/zinc/54/01/31/983540131.db2.gz SFOOFEDEEALLHF-SFHVURJKSA-N -1 3 325.364 2.623 20 30 EFEDHM C=C(Cl)C[C@H](N)C(=O)Nc1ccc(OC(C)C)cc1C(=O)[O-] ZINC001588642648 983765001 /nfs/dbraw/zinc/76/50/01/983765001.db2.gz ZLRJUIMQSNVOJD-LBPRGKRZSA-N -1 3 326.780 2.580 20 30 EFEDHM C=C[C@H](N[C@@H]1CSCc2ccc(Br)cc21)C(=O)[O-] ZINC001588696599 983903399 /nfs/dbraw/zinc/90/33/99/983903399.db2.gz PONDMJOXHGDYJG-NWDGAFQWSA-N -1 3 328.231 2.966 20 30 EFEDHM C=CCC1(O)CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1 ZINC001588769516 984134149 /nfs/dbraw/zinc/13/41/49/984134149.db2.gz WDWHVYXFIQDUDK-UHFFFAOYSA-N -1 3 346.402 2.919 20 30 EFEDHM C=CC[C@H]1N(CC(=O)NC2(C(=O)[O-])CCCCC2)CCCC1(C)C ZINC001588773863 984149965 /nfs/dbraw/zinc/14/99/65/984149965.db2.gz LPFSLKXQYGMAAH-OAHLLOKOSA-N -1 3 336.476 2.957 20 30 EFEDHM C=CCCC[C@H](N)C(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC001588786123 984182992 /nfs/dbraw/zinc/18/29/92/984182992.db2.gz MHPYUQRYRDCVGO-IRXDYDNUSA-N -1 3 326.396 2.765 20 30 EFEDHM C=CCN(CC1CCCCC1)[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001588824167 984297559 /nfs/dbraw/zinc/29/75/59/984297559.db2.gz WTMRNVHUCMXOLM-OAHLLOKOSA-N -1 3 336.476 2.766 20 30 EFEDHM C=CCN(CC1CCCCC1)[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001588824166 984297594 /nfs/dbraw/zinc/29/75/94/984297594.db2.gz WTMRNVHUCMXOLM-HNNXBMFYSA-N -1 3 336.476 2.766 20 30 EFEDHM C=CCOC[C@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(=O)[O-] ZINC001588866434 984425014 /nfs/dbraw/zinc/42/50/14/984425014.db2.gz PKXYVGZYGMYIGB-KRWDZBQOSA-N -1 3 327.380 2.805 20 30 EFEDHM CCO[C@@H]1C[C@](NCc2ccc(Cl)cc2C#N)(C(=O)[O-])C1(C)C ZINC001596839469 985518558 /nfs/dbraw/zinc/51/85/58/985518558.db2.gz SFFIODKDCJHJEC-PBHICJAKSA-N -1 3 336.819 2.960 20 30 EFEDHM CC(C)(C)OC(=O)C1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001589860047 988424030 /nfs/dbraw/zinc/42/40/30/988424030.db2.gz FWSRPDLTLOJNQQ-INIZCTEOSA-N -1 3 344.411 2.738 20 30 EFEDHM CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](N)CCCC#N)cc1 ZINC001590481600 990074645 /nfs/dbraw/zinc/07/46/45/990074645.db2.gz JLIKTXDWCWVDAS-CVEARBPZSA-N -1 3 345.443 2.637 20 30 EFEDHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001591331475 992305543 /nfs/dbraw/zinc/30/55/43/992305543.db2.gz LUBVCPBWXLJAER-UHFFFAOYSA-N -1 3 337.807 2.583 20 30 EFEDHM CN1CC[C@@H](NCc2cccc(C(=O)[O-])c2C#N)[C@H]1c1ccccc1 ZINC001598588538 993418772 /nfs/dbraw/zinc/41/87/72/993418772.db2.gz ZNGQDIWCOOEFLX-RTBURBONSA-N -1 3 335.407 2.791 20 30 EFEDHM COc1cccc([C@@H](NCc2cccc(OCC#N)c2)C(=O)[O-])c1 ZINC001599660779 994652805 /nfs/dbraw/zinc/65/28/05/994652805.db2.gz WTLYFPSFFJJGHM-QGZVFWFLSA-N -1 3 326.352 2.513 20 30 EFEDHM CC1(C)CCC[C@](NCc2c(C#N)cccc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC001593894288 996746395 /nfs/dbraw/zinc/74/63/95/996746395.db2.gz AODKRINGMFPYJQ-QGZVFWFLSA-N -1 3 331.372 2.980 20 30 EFEDHM COc1cc(CNCc2ccc(O[C@H](C)C(=O)[O-])cc2)ccc1C#N ZINC001599415315 997496237 /nfs/dbraw/zinc/49/62/37/997496237.db2.gz OWTDAKVVJDLIAN-CYBMUJFWSA-N -1 3 340.379 2.709 20 30 EFEDHM CO[C@@H]1CCC[C@H]([C@H](NCC#Cc2ccc(Cl)cc2)C(=O)[O-])C1 ZINC001599109801 997545608 /nfs/dbraw/zinc/54/56/08/997545608.db2.gz KWIJBLAURHVCAM-UAGQMJEPSA-N -1 3 335.831 2.940 20 30 EFEDHM CC1/C(=C\c2ccc(C(=O)[O-])cc2C(F)(F)F)C(=O)c2ncnn21 ZINC001594120553 998272480 /nfs/dbraw/zinc/27/24/80/998272480.db2.gz OQGHHXRMYWGRGF-JTACMZLOSA-N -1 3 337.257 2.836 20 30 EFEDHM C=C(Br)COC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588391022 1092939260 /nfs/dbraw/zinc/93/92/60/1092939260.db2.gz AXVHESUMRPRVRU-UHFFFAOYSA-N -1 3 343.568 2.586 20 30 EFEDHM C=C(Br)COC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588391022 1092939269 /nfs/dbraw/zinc/93/92/69/1092939269.db2.gz AXVHESUMRPRVRU-UHFFFAOYSA-N -1 3 343.568 2.586 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cncc(OCC(F)F)c2)nc(C)n1 ZINC001646833424 1088343807 /nfs/dbraw/zinc/34/38/07/1088343807.db2.gz LXOZWWSDHJZZFT-ZDUSSCGKSA-N -1 3 332.310 2.622 20 30 EFEDHM Cc1ccc(CN2CCCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC001647152648 1089002925 /nfs/dbraw/zinc/00/29/25/1089002925.db2.gz BFDPNPXJORRSDE-UHFFFAOYSA-N -1 3 349.434 2.920 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1csc(C#N)c1 ZINC001578496186 1090387287 /nfs/dbraw/zinc/38/72/87/1090387287.db2.gz YQHKASVTSYYMKL-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1csc(C#N)c1 ZINC001578496186 1090387293 /nfs/dbraw/zinc/38/72/93/1090387293.db2.gz YQHKASVTSYYMKL-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)c(Cl)c1 ZINC001578923458 1090477491 /nfs/dbraw/zinc/47/74/91/1090477491.db2.gz YKGNSQPDWPDGPC-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)c(Cl)c1 ZINC001578923458 1090477494 /nfs/dbraw/zinc/47/74/94/1090477494.db2.gz YKGNSQPDWPDGPC-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM Cc1c(C#N)c(NC(=O)c2sccc2-c2nnn[n-]2)n2ccccc12 ZINC001580526388 1090934100 /nfs/dbraw/zinc/93/41/00/1090934100.db2.gz WCPQRCNWGYNLJK-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c(C#N)c(NC(=O)c2sccc2-c2nn[n-]n2)n2ccccc12 ZINC001580526388 1090934101 /nfs/dbraw/zinc/93/41/01/1090934101.db2.gz WCPQRCNWGYNLJK-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001580527022 1090934285 /nfs/dbraw/zinc/93/42/85/1090934285.db2.gz DMOXSTDLCJMVGK-GFCCVEGCSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001580527022 1090934288 /nfs/dbraw/zinc/93/42/88/1090934288.db2.gz DMOXSTDLCJMVGK-GFCCVEGCSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001580528099 1090934838 /nfs/dbraw/zinc/93/48/38/1090934838.db2.gz SEAXLMDCFLGBDO-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001580528099 1090934843 /nfs/dbraw/zinc/93/48/43/1090934843.db2.gz SEAXLMDCFLGBDO-UHFFFAOYSA-N -1 3 346.394 2.963 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(C#N)s2)c1-c1nnn[n-]1 ZINC001580554750 1090946430 /nfs/dbraw/zinc/94/64/30/1090946430.db2.gz OTDDCAXQEBALFY-UHFFFAOYSA-N -1 3 331.792 2.769 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(C#N)s2)c1-c1nn[n-]n1 ZINC001580554750 1090946432 /nfs/dbraw/zinc/94/64/32/1090946432.db2.gz OTDDCAXQEBALFY-UHFFFAOYSA-N -1 3 331.792 2.769 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Oc1cccc(OCC#N)c1 ZINC001580610170 1090965517 /nfs/dbraw/zinc/96/55/17/1090965517.db2.gz CJJWFUDIAORZHY-UHFFFAOYSA-N -1 3 349.350 2.605 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Oc1cccc(OCC#N)c1 ZINC001580610170 1090965523 /nfs/dbraw/zinc/96/55/23/1090965523.db2.gz CJJWFUDIAORZHY-UHFFFAOYSA-N -1 3 349.350 2.605 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(C)c1C#N ZINC001580821424 1091020531 /nfs/dbraw/zinc/02/05/31/1091020531.db2.gz ARWAWSWPSPMYHX-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(C)c1C#N ZINC001580821424 1091020536 /nfs/dbraw/zinc/02/05/36/1091020536.db2.gz ARWAWSWPSPMYHX-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)Oc2cccc(OCC#N)c2)cc(C)c1-c1nnn[n-]1 ZINC001580888872 1091037102 /nfs/dbraw/zinc/03/71/02/1091037102.db2.gz CUCZLSKBBWLBAE-UHFFFAOYSA-N -1 3 349.350 2.605 20 30 EFEDHM Cc1cc(C(=O)Oc2cccc(OCC#N)c2)cc(C)c1-c1nn[n-]n1 ZINC001580888872 1091037107 /nfs/dbraw/zinc/03/71/07/1091037107.db2.gz CUCZLSKBBWLBAE-UHFFFAOYSA-N -1 3 349.350 2.605 20 30 EFEDHM N#Cc1c(F)cccc1Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001581861388 1091321663 /nfs/dbraw/zinc/32/16/63/1091321663.db2.gz QIYWCDZPDXIJDR-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM N#Cc1c(F)cccc1Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001581861388 1091321674 /nfs/dbraw/zinc/32/16/74/1091321674.db2.gz QIYWCDZPDXIJDR-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)ccc1-c1nnn[n-]1 ZINC001581866734 1091323907 /nfs/dbraw/zinc/32/39/07/1091323907.db2.gz SBBPLORIJFKQRA-CRAIPNDOSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@]2(F)c2ccccc2)ccc1-c1nn[n-]n1 ZINC001581866734 1091323918 /nfs/dbraw/zinc/32/39/18/1091323918.db2.gz SBBPLORIJFKQRA-CRAIPNDOSA-N -1 3 348.341 2.562 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccnc(OCC2CC2)c1 ZINC001581874885 1091328367 /nfs/dbraw/zinc/32/83/67/1091328367.db2.gz LVEYSYYNDLOHTK-UHFFFAOYSA-N -1 3 347.382 2.534 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccnc(OCC2CC2)c1 ZINC001581874885 1091328376 /nfs/dbraw/zinc/32/83/76/1091328376.db2.gz LVEYSYYNDLOHTK-UHFFFAOYSA-N -1 3 347.382 2.534 20 30 EFEDHM N#Cc1csc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)c1 ZINC001581878307 1091328513 /nfs/dbraw/zinc/32/85/13/1091328513.db2.gz FTMARRKCZYIRBX-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1csc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)c1 ZINC001581878307 1091328522 /nfs/dbraw/zinc/32/85/22/1091328522.db2.gz FTMARRKCZYIRBX-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc2c(c1)COC(=O)N2 ZINC001581874903 1091328832 /nfs/dbraw/zinc/32/88/32/1091328832.db2.gz MZLXFZFZTLYBCS-UHFFFAOYSA-N -1 3 333.311 2.544 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc2c(c1)COC(=O)N2 ZINC001581874903 1091328843 /nfs/dbraw/zinc/32/88/43/1091328843.db2.gz MZLXFZFZTLYBCS-UHFFFAOYSA-N -1 3 333.311 2.544 20 30 EFEDHM N#Cc1ccccc1N(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001581876361 1091328973 /nfs/dbraw/zinc/32/89/73/1091328973.db2.gz NNHFRGYHTHCWOW-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1ccccc1N(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001581876361 1091328985 /nfs/dbraw/zinc/32/89/85/1091328985.db2.gz NNHFRGYHTHCWOW-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cscc2-c2nnn[n-]2)cc1Cl ZINC001581873347 1091329076 /nfs/dbraw/zinc/32/90/76/1091329076.db2.gz YZGPBFPYUMVEMW-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cscc2-c2nn[n-]n2)cc1Cl ZINC001581873347 1091329086 /nfs/dbraw/zinc/32/90/86/1091329086.db2.gz YZGPBFPYUMVEMW-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(Oc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])c(F)c1 ZINC001581873931 1091329247 /nfs/dbraw/zinc/32/92/47/1091329247.db2.gz XEDUUVCDZSUCSI-UHFFFAOYSA-N -1 3 344.237 2.717 20 30 EFEDHM COc1cccc(S([O-])=CC(=O)O[C@@H](CC#N)c2ccco2)c1 ZINC001649267915 1092284458 /nfs/dbraw/zinc/28/44/58/1092284458.db2.gz VWGPTCWPQJVZLC-WNSKOXEYSA-N -1 3 333.365 2.594 20 30 EFEDHM CC(C)(C(=O)Nc1n[n-]c(-c2ccco2)n1)c1cc(F)cc(C#N)c1 ZINC001584910920 1092322458 /nfs/dbraw/zinc/32/24/58/1092322458.db2.gz JGOVISWEGRDTST-UHFFFAOYSA-N -1 3 339.330 2.992 20 30 EFEDHM C#C[C@@H](NC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001588329880 1092925385 /nfs/dbraw/zinc/92/53/85/1092925385.db2.gz PWOALXGIDNNKHI-MRXNPFEDSA-N -1 3 331.379 2.588 20 30 EFEDHM C#C[C@@H](NC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001588329880 1092925394 /nfs/dbraw/zinc/92/53/94/1092925394.db2.gz PWOALXGIDNNKHI-MRXNPFEDSA-N -1 3 331.379 2.588 20 30 EFEDHM C#C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588326433 1092925442 /nfs/dbraw/zinc/92/54/42/1092925442.db2.gz LTBCMNDMKMUSAO-LBPRGKRZSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588326433 1092925447 /nfs/dbraw/zinc/92/54/47/1092925447.db2.gz LTBCMNDMKMUSAO-LBPRGKRZSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1C)c1ccccc1 ZINC001588330193 1092926539 /nfs/dbraw/zinc/92/65/39/1092926539.db2.gz WXFHDBCTPOUTMH-HNNXBMFYSA-N -1 3 332.367 2.671 20 30 EFEDHM C#C[C@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1C)c1ccccc1 ZINC001588330193 1092926541 /nfs/dbraw/zinc/92/65/41/1092926541.db2.gz WXFHDBCTPOUTMH-HNNXBMFYSA-N -1 3 332.367 2.671 20 30 EFEDHM C#C[C@H](Nc1nc2ncccc2cc1-c1nnn[n-]1)c1ccccc1 ZINC001588328667 1092926868 /nfs/dbraw/zinc/92/68/68/1092926868.db2.gz NEUJBQGVIMWYEC-HNNXBMFYSA-N -1 3 327.351 2.596 20 30 EFEDHM C#C[C@H](Nc1nc2ncccc2cc1-c1nn[n-]n1)c1ccccc1 ZINC001588328667 1092926880 /nfs/dbraw/zinc/92/68/80/1092926880.db2.gz NEUJBQGVIMWYEC-HNNXBMFYSA-N -1 3 327.351 2.596 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588330354 1092927310 /nfs/dbraw/zinc/92/73/10/1092927310.db2.gz ZRSZKMVHAVCMLI-OAHLLOKOSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588330354 1092927320 /nfs/dbraw/zinc/92/73/20/1092927320.db2.gz ZRSZKMVHAVCMLI-OAHLLOKOSA-N -1 3 336.330 2.502 20 30 EFEDHM C#CCC1(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001588335342 1092928247 /nfs/dbraw/zinc/92/82/47/1092928247.db2.gz JKEIASYDJCRFEF-UHFFFAOYSA-N -1 3 343.818 2.976 20 30 EFEDHM C#CCC1(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001588335342 1092928251 /nfs/dbraw/zinc/92/82/51/1092928251.db2.gz JKEIASYDJCRFEF-UHFFFAOYSA-N -1 3 343.818 2.976 20 30 EFEDHM C#CC[C@H](OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588333779 1092928775 /nfs/dbraw/zinc/92/87/75/1092928775.db2.gz DLSZOSIKSKHTTH-WFASDCNBSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CCC1(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)CCC1 ZINC001588334587 1092929250 /nfs/dbraw/zinc/92/92/50/1092929250.db2.gz BDKGEDAWMIFIOB-UHFFFAOYSA-N -1 3 349.438 2.741 20 30 EFEDHM C#CCC1(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)CCC1 ZINC001588334587 1092929257 /nfs/dbraw/zinc/92/92/57/1092929257.db2.gz BDKGEDAWMIFIOB-UHFFFAOYSA-N -1 3 349.438 2.741 20 30 EFEDHM C#CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001588335237 1092930311 /nfs/dbraw/zinc/93/03/11/1092930311.db2.gz DQKYZTSNHFQJTK-LLVKDONJSA-N -1 3 346.232 2.869 20 30 EFEDHM C#CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001588335237 1092930322 /nfs/dbraw/zinc/93/03/22/1092930322.db2.gz DQKYZTSNHFQJTK-LLVKDONJSA-N -1 3 346.232 2.869 20 30 EFEDHM C#CCOc1ccc(C=Cc2cc(-c3nnn[n-]3)ccn2)cc1OCC ZINC001588362035 1092932139 /nfs/dbraw/zinc/93/21/39/1092932139.db2.gz PLBOLZGIVJUGQL-ALCCZGGFSA-N -1 3 347.378 2.843 20 30 EFEDHM C#CCOc1ccc(C=Cc2cc(-c3nn[n-]n3)ccn2)cc1OCC ZINC001588362035 1092932149 /nfs/dbraw/zinc/93/21/49/1092932149.db2.gz PLBOLZGIVJUGQL-ALCCZGGFSA-N -1 3 347.378 2.843 20 30 EFEDHM C#CCN(Cc1ccc(-c2nnn[n-]2)o1)[C@@H]1CCCc2ccccc21 ZINC001588350564 1092932180 /nfs/dbraw/zinc/93/21/80/1092932180.db2.gz FAWQUFSBWGOLTC-QGZVFWFLSA-N -1 3 333.395 2.973 20 30 EFEDHM C#CCCCOc1cccnc1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588346001 1092932490 /nfs/dbraw/zinc/93/24/90/1092932490.db2.gz XXZJEJGAUWUTOF-UHFFFAOYSA-N -1 3 346.394 2.574 20 30 EFEDHM C#CCCCOc1cccnc1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588346001 1092932502 /nfs/dbraw/zinc/93/25/02/1092932502.db2.gz XXZJEJGAUWUTOF-UHFFFAOYSA-N -1 3 346.394 2.574 20 30 EFEDHM C#CCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588344252 1092932598 /nfs/dbraw/zinc/93/25/98/1092932598.db2.gz JKPLXLJWSFQXIC-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM C#CCCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588344252 1092932611 /nfs/dbraw/zinc/93/26/11/1092932611.db2.gz JKPLXLJWSFQXIC-UHFFFAOYSA-N -1 3 348.204 2.761 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588350673 1092932677 /nfs/dbraw/zinc/93/26/77/1092932677.db2.gz KTCUPRIRWSAZHU-UHFFFAOYSA-N -1 3 349.369 2.590 20 30 EFEDHM C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588350673 1092932684 /nfs/dbraw/zinc/93/26/84/1092932684.db2.gz KTCUPRIRWSAZHU-UHFFFAOYSA-N -1 3 349.369 2.590 20 30 EFEDHM C#CCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001588344468 1092932751 /nfs/dbraw/zinc/93/27/51/1092932751.db2.gz QRPJYQPKQKFXIO-UHFFFAOYSA-N -1 3 348.750 2.560 20 30 EFEDHM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001588344468 1092932759 /nfs/dbraw/zinc/93/27/59/1092932759.db2.gz QRPJYQPKQKFXIO-UHFFFAOYSA-N -1 3 348.750 2.560 20 30 EFEDHM C#CCCCCCC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588345205 1092932781 /nfs/dbraw/zinc/93/27/81/1092932781.db2.gz VEULZEUUHNLMFA-QGZVFWFLSA-N -1 3 337.427 2.944 20 30 EFEDHM C#CCCCCCC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588345205 1092932786 /nfs/dbraw/zinc/93/27/86/1092932786.db2.gz VEULZEUUHNLMFA-QGZVFWFLSA-N -1 3 337.427 2.944 20 30 EFEDHM C#Cc1ccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001588374765 1092934093 /nfs/dbraw/zinc/93/40/93/1092934093.db2.gz NCXKRGIIVZZZFG-UHFFFAOYSA-N -1 3 341.733 2.893 20 30 EFEDHM C#Cc1ccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001588374765 1092934100 /nfs/dbraw/zinc/93/41/00/1092934100.db2.gz NCXKRGIIVZZZFG-UHFFFAOYSA-N -1 3 341.733 2.893 20 30 EFEDHM C#Cc1cccc(N(CC)Cc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC001588374586 1092934585 /nfs/dbraw/zinc/93/45/85/1092934585.db2.gz BUYSWHUQAIBCDD-UHFFFAOYSA-N -1 3 333.395 2.883 20 30 EFEDHM C#Cc1cccc(N(CC)Cc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC001588374586 1092934588 /nfs/dbraw/zinc/93/45/88/1092934588.db2.gz BUYSWHUQAIBCDD-UHFFFAOYSA-N -1 3 333.395 2.883 20 30 EFEDHM C#Cc1cccc(N(C(=O)c2cscc2-c2nnn[n-]2)C(C)C)c1 ZINC001588374721 1092935125 /nfs/dbraw/zinc/93/51/25/1092935125.db2.gz LDRBZODDIIVDHP-UHFFFAOYSA-N -1 3 337.408 2.965 20 30 EFEDHM C#Cc1cccc(N(C(=O)c2cscc2-c2nn[n-]n2)C(C)C)c1 ZINC001588374721 1092935137 /nfs/dbraw/zinc/93/51/37/1092935137.db2.gz LDRBZODDIIVDHP-UHFFFAOYSA-N -1 3 337.408 2.965 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001588374696 1092935864 /nfs/dbraw/zinc/93/58/64/1092935864.db2.gz JKDNNMSZTVLDQK-UHFFFAOYSA-N -1 3 335.342 2.654 20 30 EFEDHM C#Cc1cccc(N(CC)C(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001588374696 1092935870 /nfs/dbraw/zinc/93/58/70/1092935870.db2.gz JKDNNMSZTVLDQK-UHFFFAOYSA-N -1 3 335.342 2.654 20 30 EFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1nc2c(s1)CCCC2 ZINC001588381773 1092937436 /nfs/dbraw/zinc/93/74/36/1092937436.db2.gz UOWKEVBFTNKGPR-UHFFFAOYSA-N -1 3 325.401 2.648 20 30 EFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1nc2c(s1)CCCC2 ZINC001588381773 1092937443 /nfs/dbraw/zinc/93/74/43/1092937443.db2.gz UOWKEVBFTNKGPR-UHFFFAOYSA-N -1 3 325.401 2.648 20 30 EFEDHM C=C(C)[C@@H](NCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC001588400944 1092940424 /nfs/dbraw/zinc/94/04/24/1092940424.db2.gz JHDJBXNJZMJGQX-MRXNPFEDSA-N -1 3 342.353 2.947 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588406021 1092942796 /nfs/dbraw/zinc/94/27/96/1092942796.db2.gz RBOFFBVWHGXOLP-CYBMUJFWSA-N -1 3 330.388 2.781 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588406021 1092942805 /nfs/dbraw/zinc/94/28/05/1092942805.db2.gz RBOFFBVWHGXOLP-CYBMUJFWSA-N -1 3 330.388 2.781 20 30 EFEDHM C=C(C)CCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001588419350 1092943561 /nfs/dbraw/zinc/94/35/61/1092943561.db2.gz FLGFRCRNTIVWRW-UHFFFAOYSA-N -1 3 344.375 2.730 20 30 EFEDHM C=C(C)CCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001588419350 1092943565 /nfs/dbraw/zinc/94/35/65/1092943565.db2.gz FLGFRCRNTIVWRW-UHFFFAOYSA-N -1 3 344.375 2.730 20 30 EFEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588426591 1092944341 /nfs/dbraw/zinc/94/43/41/1092944341.db2.gz ZYJXUXLYUMEOGE-UHFFFAOYSA-N -1 3 336.399 2.722 20 30 EFEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001588426591 1092944350 /nfs/dbraw/zinc/94/43/50/1092944350.db2.gz ZYJXUXLYUMEOGE-UHFFFAOYSA-N -1 3 336.399 2.722 20 30 EFEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(CC)CC ZINC001588429662 1092944824 /nfs/dbraw/zinc/94/48/24/1092944824.db2.gz MGMJAFIXIDOTEO-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(CC)CC ZINC001588429662 1092944832 /nfs/dbraw/zinc/94/48/32/1092944832.db2.gz MGMJAFIXIDOTEO-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=C(C)CN(CC)C(=O)CSCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588426150 1092945258 /nfs/dbraw/zinc/94/52/58/1092945258.db2.gz OOMZVWFZLNJEMD-UHFFFAOYSA-N -1 3 345.472 2.567 20 30 EFEDHM C=C(C)CN(CC)C(=O)CSCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588426150 1092945266 /nfs/dbraw/zinc/94/52/66/1092945266.db2.gz OOMZVWFZLNJEMD-UHFFFAOYSA-N -1 3 345.472 2.567 20 30 EFEDHM C=C(C)CNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588430309 1092945558 /nfs/dbraw/zinc/94/55/58/1092945558.db2.gz OMXUJVUZDAXJNP-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nnn[n-]2)cc1Br ZINC001588455783 1092946674 /nfs/dbraw/zinc/94/66/74/1092946674.db2.gz CZTKBILCLQJKLW-PHIMTYICSA-N -1 3 347.220 2.712 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nn[n-]n2)cc1Br ZINC001588455783 1092946684 /nfs/dbraw/zinc/94/66/84/1092946684.db2.gz CZTKBILCLQJKLW-PHIMTYICSA-N -1 3 347.220 2.712 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588456204 1092946914 /nfs/dbraw/zinc/94/69/14/1092946914.db2.gz IRFQERDKJVWXHG-TXEJJXNPSA-N -1 3 326.360 2.771 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588456204 1092946925 /nfs/dbraw/zinc/94/69/25/1092946925.db2.gz IRFQERDKJVWXHG-TXEJJXNPSA-N -1 3 326.360 2.771 20 30 EFEDHM C=C(CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC001588443930 1092948339 /nfs/dbraw/zinc/94/83/39/1092948339.db2.gz BCMTXCJHKQTOFH-UHFFFAOYSA-N -1 3 338.346 2.841 20 30 EFEDHM C=C(CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC001588443930 1092948348 /nfs/dbraw/zinc/94/83/48/1092948348.db2.gz BCMTXCJHKQTOFH-UHFFFAOYSA-N -1 3 338.346 2.841 20 30 EFEDHM C=C1CCC(CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001588463014 1092949030 /nfs/dbraw/zinc/94/90/30/1092949030.db2.gz ZSWQKQNAHVOMSR-UHFFFAOYSA-N -1 3 344.394 2.551 20 30 EFEDHM C=C1CCC(CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001588463014 1092949041 /nfs/dbraw/zinc/94/90/41/1092949041.db2.gz ZSWQKQNAHVOMSR-UHFFFAOYSA-N -1 3 344.394 2.551 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588486698 1092949345 /nfs/dbraw/zinc/94/93/45/1092949345.db2.gz INVSHYCTVKEDCO-UHFFFAOYSA-N -1 3 346.410 2.797 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588486698 1092949354 /nfs/dbraw/zinc/94/93/54/1092949354.db2.gz INVSHYCTVKEDCO-UHFFFAOYSA-N -1 3 346.410 2.797 20 30 EFEDHM C=C[C@@H](C(=O)N1CCc2c1cccc2-c1nnn[n-]1)c1ccccc1 ZINC001588467137 1092949623 /nfs/dbraw/zinc/94/96/23/1092949623.db2.gz CYKQGKNEYRTCNY-CQSZACIVSA-N -1 3 331.379 2.726 20 30 EFEDHM C=C[C@@H](C(=O)N1CCc2c1cccc2-c1nn[n-]n1)c1ccccc1 ZINC001588467137 1092949633 /nfs/dbraw/zinc/94/96/33/1092949633.db2.gz CYKQGKNEYRTCNY-CQSZACIVSA-N -1 3 331.379 2.726 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588486916 1092949683 /nfs/dbraw/zinc/94/96/83/1092949683.db2.gz MGBLFAQPOPACSC-LBPRGKRZSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588486916 1092949693 /nfs/dbraw/zinc/94/96/93/1092949693.db2.gz MGBLFAQPOPACSC-LBPRGKRZSA-N -1 3 328.420 2.829 20 30 EFEDHM C=C1CCC(CNC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)CC1 ZINC001588462374 1092950653 /nfs/dbraw/zinc/95/06/53/1092950653.db2.gz MHKHXUXRSFJYOB-UHFFFAOYSA-N -1 3 336.399 2.824 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588500474 1092952032 /nfs/dbraw/zinc/95/20/32/1092952032.db2.gz XWRXXLBTLLOKRG-OAHLLOKOSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588500474 1092952041 /nfs/dbraw/zinc/95/20/41/1092952041.db2.gz XWRXXLBTLLOKRG-OAHLLOKOSA-N -1 3 335.795 2.687 20 30 EFEDHM C=CC1(CC(=O)OCc2cc(-c3nnn[n-]3)ccn2)CCCCC1 ZINC001588527163 1092952708 /nfs/dbraw/zinc/95/27/08/1092952708.db2.gz DNYIKXMNVKJKDB-UHFFFAOYSA-N -1 3 327.388 2.832 20 30 EFEDHM C=CC1(CC(=O)OCc2cc(-c3nn[n-]n3)ccn2)CCCCC1 ZINC001588527163 1092952713 /nfs/dbraw/zinc/95/27/13/1092952713.db2.gz DNYIKXMNVKJKDB-UHFFFAOYSA-N -1 3 327.388 2.832 20 30 EFEDHM C=CC(C)(C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588487775 1092952780 /nfs/dbraw/zinc/95/27/80/1092952780.db2.gz BCXZQRBLYVHNEA-LSDHHAIUSA-N -1 3 325.416 2.689 20 30 EFEDHM C=CC(C)(C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588487775 1092952788 /nfs/dbraw/zinc/95/27/88/1092952788.db2.gz BCXZQRBLYVHNEA-LSDHHAIUSA-N -1 3 325.416 2.689 20 30 EFEDHM C=C[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588518365 1092953650 /nfs/dbraw/zinc/95/36/50/1092953650.db2.gz BCGSMYLJBPUENB-LLVKDONJSA-N -1 3 337.339 2.785 20 30 EFEDHM C=C[C@@H](C)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588518365 1092953660 /nfs/dbraw/zinc/95/36/60/1092953660.db2.gz BCGSMYLJBPUENB-LLVKDONJSA-N -1 3 337.339 2.785 20 30 EFEDHM C=C[C@@H](C)ONC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC001588518659 1092953679 /nfs/dbraw/zinc/95/36/79/1092953679.db2.gz INQZVRVBUFGPIB-CYBMUJFWSA-N -1 3 344.419 2.540 20 30 EFEDHM C=C[C@@H](C)ONC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC001588518659 1092953688 /nfs/dbraw/zinc/95/36/88/1092953688.db2.gz INQZVRVBUFGPIB-CYBMUJFWSA-N -1 3 344.419 2.540 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001588541798 1092954382 /nfs/dbraw/zinc/95/43/82/1092954382.db2.gz SPLQXNPGVASXGQ-GFCCVEGCSA-N -1 3 331.424 2.899 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001588541798 1092954393 /nfs/dbraw/zinc/95/43/93/1092954393.db2.gz SPLQXNPGVASXGQ-GFCCVEGCSA-N -1 3 331.424 2.899 20 30 EFEDHM C=CCC(C)(C)c1noc(-c2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC001588539563 1092954666 /nfs/dbraw/zinc/95/46/66/1092954666.db2.gz PZGXFGHGASNEIB-UHFFFAOYSA-N -1 3 326.360 2.779 20 30 EFEDHM C=CCC(C)(C)c1noc(-c2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC001588539563 1092954674 /nfs/dbraw/zinc/95/46/74/1092954674.db2.gz PZGXFGHGASNEIB-UHFFFAOYSA-N -1 3 326.360 2.779 20 30 EFEDHM C=CCC(C)(C)C(=O)N[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001588538609 1092955303 /nfs/dbraw/zinc/95/53/03/1092955303.db2.gz SWRQBNIIYAHQPV-NSHDSACASA-N -1 3 346.410 2.525 20 30 EFEDHM C=CCC(C)(C)C(=O)N[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001588538609 1092955310 /nfs/dbraw/zinc/95/53/10/1092955310.db2.gz SWRQBNIIYAHQPV-NSHDSACASA-N -1 3 346.410 2.525 20 30 EFEDHM C=CCC1(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588556961 1092957323 /nfs/dbraw/zinc/95/73/23/1092957323.db2.gz GOXMBYFYGSPTSI-UHFFFAOYSA-N -1 3 340.431 2.802 20 30 EFEDHM C=CCC1(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588556961 1092957329 /nfs/dbraw/zinc/95/73/29/1092957329.db2.gz GOXMBYFYGSPTSI-UHFFFAOYSA-N -1 3 340.431 2.802 20 30 EFEDHM C=CC[C@@H](CCc1ccccc1)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588544567 1092957383 /nfs/dbraw/zinc/95/73/83/1092957383.db2.gz LKWSUABAGGUALM-HNNXBMFYSA-N -1 3 337.383 2.929 20 30 EFEDHM C=CC[C@@H](CCc1ccccc1)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588544567 1092957393 /nfs/dbraw/zinc/95/73/93/1092957393.db2.gz LKWSUABAGGUALM-HNNXBMFYSA-N -1 3 337.383 2.929 20 30 EFEDHM C=CCC(F)(F)C(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC001588545946 1092958053 /nfs/dbraw/zinc/95/80/53/1092958053.db2.gz SGGFAFYXIYFJBR-UHFFFAOYSA-N -1 3 344.705 2.646 20 30 EFEDHM C=CCC(F)(F)C(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OC ZINC001588545946 1092958063 /nfs/dbraw/zinc/95/80/63/1092958063.db2.gz SGGFAFYXIYFJBR-UHFFFAOYSA-N -1 3 344.705 2.646 20 30 EFEDHM C=CCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NC)CCCC1 ZINC001588557191 1092958238 /nfs/dbraw/zinc/95/82/38/1092958238.db2.gz ZXNWKCSHWQHUHZ-UHFFFAOYSA-N -1 3 326.404 2.983 20 30 EFEDHM C=CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)CCCC1 ZINC001588556648 1092958545 /nfs/dbraw/zinc/95/85/45/1092958545.db2.gz AYPWWYITHXKCGH-UHFFFAOYSA-N -1 3 341.415 2.742 20 30 EFEDHM C=CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)CCCC1 ZINC001588556648 1092958549 /nfs/dbraw/zinc/95/85/49/1092958549.db2.gz AYPWWYITHXKCGH-UHFFFAOYSA-N -1 3 341.415 2.742 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC001588559765 1092960239 /nfs/dbraw/zinc/96/02/39/1092960239.db2.gz LJFXBNWNTHCFNW-CYBMUJFWSA-N -1 3 326.404 2.995 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC001588559765 1092960249 /nfs/dbraw/zinc/96/02/49/1092960249.db2.gz LJFXBNWNTHCFNW-CYBMUJFWSA-N -1 3 326.404 2.995 20 30 EFEDHM C=CCC1(NC(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)CCCC1 ZINC001588557272 1092960629 /nfs/dbraw/zinc/96/06/29/1092960629.db2.gz JKXZUOYNULTOFY-UHFFFAOYSA-N -1 3 340.431 2.863 20 30 EFEDHM C=CCC1(NC(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)CCCC1 ZINC001588557272 1092960642 /nfs/dbraw/zinc/96/06/42/1092960642.db2.gz JKXZUOYNULTOFY-UHFFFAOYSA-N -1 3 340.431 2.863 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1OC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588559708 1092961047 /nfs/dbraw/zinc/96/10/47/1092961047.db2.gz LCJWBTIPGJUIAW-GXTWGEPZSA-N -1 3 327.388 2.862 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588559708 1092961060 /nfs/dbraw/zinc/96/10/60/1092961060.db2.gz LCJWBTIPGJUIAW-GXTWGEPZSA-N -1 3 327.388 2.862 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)C(C)(C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588561192 1092961832 /nfs/dbraw/zinc/96/18/32/1092961832.db2.gz YMASULDXIBQYMY-CQSZACIVSA-N -1 3 339.443 2.959 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)C(C)(C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588561192 1092961838 /nfs/dbraw/zinc/96/18/38/1092961838.db2.gz YMASULDXIBQYMY-CQSZACIVSA-N -1 3 339.443 2.959 20 30 EFEDHM C=CCC1(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CCCC1 ZINC001588557537 1092962158 /nfs/dbraw/zinc/96/21/58/1092962158.db2.gz PNUWCRPVRJODDL-UHFFFAOYSA-N -1 3 329.364 2.718 20 30 EFEDHM C=CCC1(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CCCC1 ZINC001588557537 1092962168 /nfs/dbraw/zinc/96/21/68/1092962168.db2.gz PNUWCRPVRJODDL-UHFFFAOYSA-N -1 3 329.364 2.718 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001588565288 1092963119 /nfs/dbraw/zinc/96/31/19/1092963119.db2.gz YRSAOWSXTJRWAU-GFCCVEGCSA-N -1 3 329.408 2.606 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001588565288 1092963144 /nfs/dbraw/zinc/96/31/44/1092963144.db2.gz YRSAOWSXTJRWAU-GFCCVEGCSA-N -1 3 329.408 2.606 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588565221 1092963267 /nfs/dbraw/zinc/96/32/67/1092963267.db2.gz XCKVFKSOOZPQHD-QWHCGFSZSA-N -1 3 326.404 2.535 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588565221 1092963276 /nfs/dbraw/zinc/96/32/76/1092963276.db2.gz XCKVFKSOOZPQHD-QWHCGFSZSA-N -1 3 326.404 2.535 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588578835 1092963845 /nfs/dbraw/zinc/96/38/45/1092963845.db2.gz GVWUARFIBXDPKQ-ZDUSSCGKSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588578835 1092963854 /nfs/dbraw/zinc/96/38/54/1092963854.db2.gz GVWUARFIBXDPKQ-ZDUSSCGKSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCCCC(=O)NCC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588590370 1092964492 /nfs/dbraw/zinc/96/44/92/1092964492.db2.gz JXXSOBQZTKVPSZ-GFCCVEGCSA-N -1 3 346.410 2.669 20 30 EFEDHM C=CCCCC(=O)NCC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588590370 1092964501 /nfs/dbraw/zinc/96/45/01/1092964501.db2.gz JXXSOBQZTKVPSZ-GFCCVEGCSA-N -1 3 346.410 2.669 20 30 EFEDHM C=CCC[C@H]1CCCN1C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588581992 1092965180 /nfs/dbraw/zinc/96/51/80/1092965180.db2.gz CXXOOPHAHWPHHJ-LBPRGKRZSA-N -1 3 336.399 2.919 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588578834 1092965243 /nfs/dbraw/zinc/96/52/43/1092965243.db2.gz GVWUARFIBXDPKQ-CYBMUJFWSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588578834 1092965252 /nfs/dbraw/zinc/96/52/52/1092965252.db2.gz GVWUARFIBXDPKQ-CYBMUJFWSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588594958 1092966608 /nfs/dbraw/zinc/96/66/08/1092966608.db2.gz WVCGWIVSDQYQFM-CQSZACIVSA-N -1 3 327.432 2.887 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588594958 1092966614 /nfs/dbraw/zinc/96/66/14/1092966614.db2.gz WVCGWIVSDQYQFM-CQSZACIVSA-N -1 3 327.432 2.887 20 30 EFEDHM C=CCCC[C@H](C)n1cc(COc2ccccc2-c2nnn[n-]2)nn1 ZINC001588594640 1092966746 /nfs/dbraw/zinc/96/67/46/1092966746.db2.gz QAZKFCCBIPROGH-ZDUSSCGKSA-N -1 3 339.403 2.955 20 30 EFEDHM C=CCCC[C@H](C)n1cc(COc2ccccc2-c2nn[n-]n2)nn1 ZINC001588594640 1092966755 /nfs/dbraw/zinc/96/67/55/1092966755.db2.gz QAZKFCCBIPROGH-ZDUSSCGKSA-N -1 3 339.403 2.955 20 30 EFEDHM C=CCCCCOC(=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588596645 1092967295 /nfs/dbraw/zinc/96/72/95/1092967295.db2.gz XOCSMEUVRSPPEU-UHFFFAOYSA-N -1 3 341.293 2.794 20 30 EFEDHM C=CCCO[C@H](C)C(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001588609050 1092967624 /nfs/dbraw/zinc/96/76/24/1092967624.db2.gz TXOCLOZPNBTVLP-CYBMUJFWSA-N -1 3 341.415 2.733 20 30 EFEDHM C=CCCO[C@H](C)C(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001588609050 1092967632 /nfs/dbraw/zinc/96/76/32/1092967632.db2.gz TXOCLOZPNBTVLP-CYBMUJFWSA-N -1 3 341.415 2.733 20 30 EFEDHM C=CCCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001588600729 1092967913 /nfs/dbraw/zinc/96/79/13/1092967913.db2.gz NWKUFRVACBIYAO-UHFFFAOYSA-N -1 3 328.420 2.753 20 30 EFEDHM C=CCCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001588600729 1092967920 /nfs/dbraw/zinc/96/79/20/1092967920.db2.gz NWKUFRVACBIYAO-UHFFFAOYSA-N -1 3 328.420 2.753 20 30 EFEDHM C=CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC001588626404 1092969795 /nfs/dbraw/zinc/96/97/95/1092969795.db2.gz ZDBNILXXRBIYHQ-UHFFFAOYSA-N -1 3 331.445 2.772 20 30 EFEDHM C=CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC001588626404 1092969799 /nfs/dbraw/zinc/96/97/99/1092969799.db2.gz ZDBNILXXRBIYHQ-UHFFFAOYSA-N -1 3 331.445 2.772 20 30 EFEDHM C=CCN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588626933 1092970748 /nfs/dbraw/zinc/97/07/48/1092970748.db2.gz WERUHDLQLCWKIZ-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588626933 1092970753 /nfs/dbraw/zinc/97/07/53/1092970753.db2.gz WERUHDLQLCWKIZ-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CCC)OCC ZINC001588639537 1092973272 /nfs/dbraw/zinc/97/32/72/1092973272.db2.gz STXAIFOQLIQZFS-MRXNPFEDSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CCC)OCC ZINC001588639537 1092973281 /nfs/dbraw/zinc/97/32/81/1092973281.db2.gz STXAIFOQLIQZFS-MRXNPFEDSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cnc(C)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588648903 1092975151 /nfs/dbraw/zinc/97/51/51/1092975151.db2.gz RPRWWVYTJWLWDM-UHFFFAOYSA-N -1 3 326.429 2.820 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588653501 1092975337 /nfs/dbraw/zinc/97/53/37/1092975337.db2.gz JLVYKTPZYJXNPB-UHFFFAOYSA-N -1 3 333.395 2.624 20 30 EFEDHM C=CCN(Cc1ccccc1)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588653501 1092975350 /nfs/dbraw/zinc/97/53/50/1092975350.db2.gz JLVYKTPZYJXNPB-UHFFFAOYSA-N -1 3 333.395 2.624 20 30 EFEDHM C=CCN(Cc1ccccc1F)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588653424 1092975950 /nfs/dbraw/zinc/97/59/50/1092975950.db2.gz HUODTEBZCNCCDF-UHFFFAOYSA-N -1 3 343.387 2.896 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001588649480 1092977125 /nfs/dbraw/zinc/97/71/25/1092977125.db2.gz PPDIMNKAEYMEBU-HZPDHXFCSA-N -1 3 349.394 2.778 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001588649480 1092977129 /nfs/dbraw/zinc/97/71/29/1092977129.db2.gz PPDIMNKAEYMEBU-HZPDHXFCSA-N -1 3 349.394 2.778 20 30 EFEDHM C=CCOCCCC(=O)OCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001588683176 1092977641 /nfs/dbraw/zinc/97/76/41/1092977641.db2.gz YYWYMFGZLSFAMD-UHFFFAOYSA-N -1 3 336.779 2.546 20 30 EFEDHM C=CCOCCCC(=O)OCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001588683176 1092977650 /nfs/dbraw/zinc/97/76/50/1092977650.db2.gz YYWYMFGZLSFAMD-UHFFFAOYSA-N -1 3 336.779 2.546 20 30 EFEDHM C=CCOc1ccccc1CNC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588689121 1092977806 /nfs/dbraw/zinc/97/78/06/1092977806.db2.gz ZCDOHDRMBCNBSM-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM C=CCOc1ccccc1CNC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588689121 1092977811 /nfs/dbraw/zinc/97/78/11/1092977811.db2.gz ZCDOHDRMBCNBSM-UHFFFAOYSA-N -1 3 349.394 2.670 20 30 EFEDHM C=CCOCCSc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588689562 1092980795 /nfs/dbraw/zinc/98/07/95/1092980795.db2.gz NHTKRJFNPNRDAJ-UHFFFAOYSA-N -1 3 331.323 2.575 20 30 EFEDHM C=CCOCCSc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588689562 1092980804 /nfs/dbraw/zinc/98/08/04/1092980804.db2.gz NHTKRJFNPNRDAJ-UHFFFAOYSA-N -1 3 331.323 2.575 20 30 EFEDHM C=CCOc1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588689744 1092981305 /nfs/dbraw/zinc/98/13/05/1092981305.db2.gz LQOUTBKZUMLHQJ-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM C=CCOc1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588689744 1092981316 /nfs/dbraw/zinc/98/13/16/1092981316.db2.gz LQOUTBKZUMLHQJ-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM CC#CCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001588747861 1092982877 /nfs/dbraw/zinc/98/28/77/1092982877.db2.gz YCPLMOQKWYQVMB-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM CC#CCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001588747861 1092982886 /nfs/dbraw/zinc/98/28/86/1092982886.db2.gz YCPLMOQKWYQVMB-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM CC(=NOC(C)C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001588782670 1092993093 /nfs/dbraw/zinc/99/30/93/1092993093.db2.gz UWHGBFNUDYMSHI-UHFFFAOYSA-N -1 3 325.376 2.510 20 30 EFEDHM CC(=O)Nc1cccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588882913 1092998706 /nfs/dbraw/zinc/99/87/06/1092998706.db2.gz YPNFEPOEVYVYBW-UHFFFAOYSA-N -1 3 335.371 2.661 20 30 EFEDHM CC(=O)Nc1cccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588882913 1092998718 /nfs/dbraw/zinc/99/87/18/1092998718.db2.gz YPNFEPOEVYVYBW-UHFFFAOYSA-N -1 3 335.371 2.661 20 30 EFEDHM CC(=O)Nc1ccc(Sc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001588878920 1093000482 /nfs/dbraw/zinc/00/04/82/1093000482.db2.gz OSVVFCPUCPGKSJ-UHFFFAOYSA-N -1 3 336.380 2.848 20 30 EFEDHM CC(=O)Nc1ccc(Sc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001588878920 1093000486 /nfs/dbraw/zinc/00/04/86/1093000486.db2.gz OSVVFCPUCPGKSJ-UHFFFAOYSA-N -1 3 336.380 2.848 20 30 EFEDHM C[C@@H](C#N)Cn1nc(C(F)(F)F)cc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001588933872 1093012576 /nfs/dbraw/zinc/01/25/76/1093012576.db2.gz AVERJMFSXOSWCD-VIFPVBQESA-N -1 3 347.304 2.909 20 30 EFEDHM C[C@@H](C#N)Cn1nc(C(F)(F)F)cc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001588933872 1093012583 /nfs/dbraw/zinc/01/25/83/1093012583.db2.gz AVERJMFSXOSWCD-VIFPVBQESA-N -1 3 347.304 2.909 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001589034356 1093019499 /nfs/dbraw/zinc/01/94/99/1093019499.db2.gz YCAHLEQGJXMPPH-UHFFFAOYSA-N -1 3 343.387 2.509 20 30 EFEDHM CC(C)(C)C#CCOC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589071244 1093025175 /nfs/dbraw/zinc/02/51/75/1093025175.db2.gz DIDYTMCGDAJVRG-UHFFFAOYSA-N -1 3 344.390 2.876 20 30 EFEDHM CC(C)(C)C#CCOC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589071244 1093025181 /nfs/dbraw/zinc/02/51/81/1093025181.db2.gz DIDYTMCGDAJVRG-UHFFFAOYSA-N -1 3 344.390 2.876 20 30 EFEDHM CC(C)(C)OC[C@H]1CCCN1c1c(C#N)cccc1-c1nnn[n-]1 ZINC001589198861 1093046062 /nfs/dbraw/zinc/04/60/62/1093046062.db2.gz QZXHOTBCLXCLFV-CYBMUJFWSA-N -1 3 326.404 2.522 20 30 EFEDHM CC(C)(C)OC[C@H]1CCCN1c1c(C#N)cccc1-c1nn[n-]n1 ZINC001589198861 1093046065 /nfs/dbraw/zinc/04/60/65/1093046065.db2.gz QZXHOTBCLXCLFV-CYBMUJFWSA-N -1 3 326.404 2.522 20 30 EFEDHM CC(C)(C)Oc1cccc(CNc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001589203183 1093048420 /nfs/dbraw/zinc/04/84/20/1093048420.db2.gz YCFRUWZLZZRWJZ-UHFFFAOYSA-N -1 3 349.398 2.923 20 30 EFEDHM CC(C)(C)Oc1cccc(CNc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001589203183 1093048426 /nfs/dbraw/zinc/04/84/26/1093048426.db2.gz YCFRUWZLZZRWJZ-UHFFFAOYSA-N -1 3 349.398 2.923 20 30 EFEDHM CC(C)(C)SCCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001589209193 1093048555 /nfs/dbraw/zinc/04/85/55/1093048555.db2.gz XMXTUDVKPHNRGO-UHFFFAOYSA-N -1 3 349.489 2.729 20 30 EFEDHM CC(C)(C)SCCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001589209193 1093048564 /nfs/dbraw/zinc/04/85/64/1093048564.db2.gz XMXTUDVKPHNRGO-UHFFFAOYSA-N -1 3 349.489 2.729 20 30 EFEDHM CC(C)(C)c1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)c(=O)[nH]1 ZINC001589228675 1093053621 /nfs/dbraw/zinc/05/36/21/1093053621.db2.gz YGNCKOGDULFDRV-UHFFFAOYSA-N -1 3 349.398 2.749 20 30 EFEDHM CC(C)(C)c1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)c(=O)[nH]1 ZINC001589228675 1093053626 /nfs/dbraw/zinc/05/36/26/1093053626.db2.gz YGNCKOGDULFDRV-UHFFFAOYSA-N -1 3 349.398 2.749 20 30 EFEDHM CC(C)(C)c1csc(NC(=O)NCCCC#N)c1-c1nnn[n-]1 ZINC001589236960 1093056317 /nfs/dbraw/zinc/05/63/17/1093056317.db2.gz GQAWKFDMYJCBKQ-UHFFFAOYSA-N -1 3 333.421 2.651 20 30 EFEDHM CC(C)(C)c1csc(NC(=O)NCCCC#N)c1-c1nn[n-]n1 ZINC001589236960 1093056320 /nfs/dbraw/zinc/05/63/20/1093056320.db2.gz GQAWKFDMYJCBKQ-UHFFFAOYSA-N -1 3 333.421 2.651 20 30 EFEDHM CC(C)(CC#N)CNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001589266914 1093061059 /nfs/dbraw/zinc/06/10/59/1093061059.db2.gz CMOMNDPLVYKZRP-UHFFFAOYSA-N -1 3 335.209 2.981 20 30 EFEDHM CC(C)(CC#N)CNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001589266914 1093061068 /nfs/dbraw/zinc/06/10/68/1093061068.db2.gz CMOMNDPLVYKZRP-UHFFFAOYSA-N -1 3 335.209 2.981 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccnc(C#N)c1 ZINC001589625520 1093118062 /nfs/dbraw/zinc/11/80/62/1093118062.db2.gz BSGSHEZYPXLFQZ-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccnc(C#N)c1 ZINC001589625520 1093118066 /nfs/dbraw/zinc/11/80/66/1093118066.db2.gz BSGSHEZYPXLFQZ-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#CC(C)(C)C ZINC001589694881 1093125659 /nfs/dbraw/zinc/12/56/59/1093125659.db2.gz ADUTVGZTWDMLCY-UHFFFAOYSA-N -1 3 325.416 2.653 20 30 EFEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#CC(C)(C)C ZINC001589694881 1093125663 /nfs/dbraw/zinc/12/56/63/1093125663.db2.gz ADUTVGZTWDMLCY-UHFFFAOYSA-N -1 3 325.416 2.653 20 30 EFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C#CC(C)(C)C ZINC001589751252 1093132966 /nfs/dbraw/zinc/13/29/66/1093132966.db2.gz LCBYVWHKINYFSG-UHFFFAOYSA-N -1 3 327.388 2.642 20 30 EFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C#CC(C)(C)C ZINC001589751252 1093132969 /nfs/dbraw/zinc/13/29/69/1093132969.db2.gz LCBYVWHKINYFSG-UHFFFAOYSA-N -1 3 327.388 2.642 20 30 EFEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC[C@@H](C#N)CCC#N ZINC001589754180 1093133218 /nfs/dbraw/zinc/13/32/18/1093133218.db2.gz HKQRAZRODPWNQV-GFCCVEGCSA-N -1 3 325.376 2.509 20 30 EFEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC[C@@H](C#N)CCC#N ZINC001589754180 1093133221 /nfs/dbraw/zinc/13/32/21/1093133221.db2.gz HKQRAZRODPWNQV-GFCCVEGCSA-N -1 3 325.376 2.509 20 30 EFEDHM C[C@@H](CC#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001589785983 1093147203 /nfs/dbraw/zinc/14/72/03/1093147203.db2.gz BSVPOEAOZHFHHQ-NSHDSACASA-N -1 3 349.354 2.542 20 30 EFEDHM C[C@@H](CC#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001589785983 1093147205 /nfs/dbraw/zinc/14/72/05/1093147205.db2.gz BSVPOEAOZHFHHQ-NSHDSACASA-N -1 3 349.354 2.542 20 30 EFEDHM C[C@H](CC#N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001589788529 1093148118 /nfs/dbraw/zinc/14/81/18/1093148118.db2.gz XRQYHZYFCPIMNX-MRVPVSSYSA-N -1 3 330.417 2.640 20 30 EFEDHM C[C@H](CC#N)C(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001589788529 1093148122 /nfs/dbraw/zinc/14/81/22/1093148122.db2.gz XRQYHZYFCPIMNX-MRVPVSSYSA-N -1 3 330.417 2.640 20 30 EFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589797044 1093150054 /nfs/dbraw/zinc/15/00/54/1093150054.db2.gz UAFPOKPYSJNMBO-TUKIKUTGSA-N -1 3 339.399 2.842 20 30 EFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589797044 1093150059 /nfs/dbraw/zinc/15/00/59/1093150059.db2.gz UAFPOKPYSJNMBO-TUKIKUTGSA-N -1 3 339.399 2.842 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001589897072 1093170496 /nfs/dbraw/zinc/17/04/96/1093170496.db2.gz NZTFXTVZOAAASO-LBPRGKRZSA-N -1 3 333.351 2.523 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001589897072 1093170498 /nfs/dbraw/zinc/17/04/98/1093170498.db2.gz NZTFXTVZOAAASO-LBPRGKRZSA-N -1 3 333.351 2.523 20 30 EFEDHM C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589921526 1093179560 /nfs/dbraw/zinc/17/95/60/1093179560.db2.gz LYHNFXNNLHIVEP-ZDUSSCGKSA-N -1 3 346.394 2.548 20 30 EFEDHM C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589921526 1093179564 /nfs/dbraw/zinc/17/95/64/1093179564.db2.gz LYHNFXNNLHIVEP-ZDUSSCGKSA-N -1 3 346.394 2.548 20 30 EFEDHM C[C@@H](c1ccc(Cn2cnc(C#N)c2-c2nnn[n-]2)cc1)C(F)(F)F ZINC001590040595 1093235193 /nfs/dbraw/zinc/23/51/93/1093235193.db2.gz QJQIKTDJLCIDLN-VIFPVBQESA-N -1 3 347.304 2.649 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cscc1C#N ZINC001590044913 1093237571 /nfs/dbraw/zinc/23/75/71/1093237571.db2.gz YSRVYMFFKYALSF-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cscc1C#N ZINC001590044913 1093237579 /nfs/dbraw/zinc/23/75/79/1093237579.db2.gz YSRVYMFFKYALSF-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590048002 1093243072 /nfs/dbraw/zinc/24/30/72/1093243072.db2.gz BEJKTOBWTOJHKN-NSHDSACASA-N -1 3 349.354 2.844 20 30 EFEDHM C[C@@H](c1cccc(C#N)c1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590048002 1093243079 /nfs/dbraw/zinc/24/30/79/1093243079.db2.gz BEJKTOBWTOJHKN-NSHDSACASA-N -1 3 349.354 2.844 20 30 EFEDHM CC1(C#N)CN(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC001590056446 1093249195 /nfs/dbraw/zinc/24/91/95/1093249195.db2.gz LKABCONVDJXFPH-UHFFFAOYSA-N -1 3 330.395 2.879 20 30 EFEDHM CC1(C#N)CN(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC001590056446 1093249207 /nfs/dbraw/zinc/24/92/07/1093249207.db2.gz LKABCONVDJXFPH-UHFFFAOYSA-N -1 3 330.395 2.879 20 30 EFEDHM CC1(C#N)CCN(c2cc(Br)ccc2-c2nnn[n-]2)CC1 ZINC001590056458 1093249572 /nfs/dbraw/zinc/24/95/72/1093249572.db2.gz LWZGYBMCPNDBEM-UHFFFAOYSA-N -1 3 347.220 2.759 20 30 EFEDHM CC1(C#N)CCN(c2cc(Br)ccc2-c2nn[n-]n2)CC1 ZINC001590056458 1093249573 /nfs/dbraw/zinc/24/95/73/1093249573.db2.gz LWZGYBMCPNDBEM-UHFFFAOYSA-N -1 3 347.220 2.759 20 30 EFEDHM CC1(C)CCC[C@H]1OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590094783 1093265285 /nfs/dbraw/zinc/26/52/85/1093265285.db2.gz KPUJIIDBEXGRCS-HUUCEWRRSA-N -1 3 339.399 2.671 20 30 EFEDHM CC1(C)CCC[C@H]1OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590094783 1093265290 /nfs/dbraw/zinc/26/52/90/1093265290.db2.gz KPUJIIDBEXGRCS-HUUCEWRRSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC001590165562 1093291889 /nfs/dbraw/zinc/29/18/89/1093291889.db2.gz MWHHMQSPUDQAIK-MZPVMMEZSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC001590165562 1093291896 /nfs/dbraw/zinc/29/18/96/1093291896.db2.gz MWHHMQSPUDQAIK-MZPVMMEZSA-N -1 3 344.378 2.727 20 30 EFEDHM C[C@@H]1CCc2c(sc(NC(=O)CC(C)(C)C#N)c2-c2nnn[n-]2)C1 ZINC001590280938 1093360045 /nfs/dbraw/zinc/36/00/45/1093360045.db2.gz ZTRGXAKVIAUPBI-SECBINFHSA-N -1 3 344.444 2.931 20 30 EFEDHM C[C@@H]1CCc2c(sc(NC(=O)CC(C)(C)C#N)c2-c2nn[n-]n2)C1 ZINC001590280938 1093360053 /nfs/dbraw/zinc/36/00/53/1093360053.db2.gz ZTRGXAKVIAUPBI-SECBINFHSA-N -1 3 344.444 2.931 20 30 EFEDHM CCC(=NNc1ccc2n[nH]cc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358858 1093390164 /nfs/dbraw/zinc/39/01/64/1093390164.db2.gz IOGPIHWTGUFOHI-UHFFFAOYSA-N -1 3 332.371 2.969 20 30 EFEDHM CC[C@@](C)(C#N)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001590371575 1093391830 /nfs/dbraw/zinc/39/18/30/1093391830.db2.gz DSMVQKKENRVFEW-INIZCTEOSA-N -1 3 340.412 2.812 20 30 EFEDHM CC[C@@](C)(C#N)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001590371575 1093391833 /nfs/dbraw/zinc/39/18/33/1093391833.db2.gz DSMVQKKENRVFEW-INIZCTEOSA-N -1 3 340.412 2.812 20 30 EFEDHM CCC(=O)c1cccc(C#N)c1OCc1ccc(-c2nnn[n-]2)cc1 ZINC001590367249 1093391896 /nfs/dbraw/zinc/39/18/96/1093391896.db2.gz JLGOUJOGYLSKHL-UHFFFAOYSA-N -1 3 333.351 2.910 20 30 EFEDHM CCC(=O)c1cccc(C#N)c1OCc1ccc(-c2nn[n-]n2)cc1 ZINC001590367249 1093391905 /nfs/dbraw/zinc/39/19/05/1093391905.db2.gz JLGOUJOGYLSKHL-UHFFFAOYSA-N -1 3 333.351 2.910 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)c(C)n2)c1 ZINC001590368137 1093393599 /nfs/dbraw/zinc/39/35/99/1093393599.db2.gz XQZFTJYALYDIRV-CQSZACIVSA-N -1 3 349.398 2.863 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3nn[n-]n3)c(C)n2)c1 ZINC001590368137 1093393608 /nfs/dbraw/zinc/39/36/08/1093393608.db2.gz XQZFTJYALYDIRV-CQSZACIVSA-N -1 3 349.398 2.863 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001590433846 1093419839 /nfs/dbraw/zinc/41/98/39/1093419839.db2.gz ODFFVYFYAFKHAY-UHFFFAOYSA-N -1 3 344.394 2.798 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001590433846 1093419842 /nfs/dbraw/zinc/41/98/42/1093419842.db2.gz ODFFVYFYAFKHAY-UHFFFAOYSA-N -1 3 344.394 2.798 20 30 EFEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590582533 1093499691 /nfs/dbraw/zinc/49/96/91/1093499691.db2.gz QRSPFFVTADPVTE-CQSZACIVSA-N -1 3 348.382 2.916 20 30 EFEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590582533 1093499696 /nfs/dbraw/zinc/49/96/96/1093499696.db2.gz QRSPFFVTADPVTE-CQSZACIVSA-N -1 3 348.382 2.916 20 30 EFEDHM CCCC[C@H](Sc1c(C#N)cccc1-c1nnn[n-]1)C(=O)OC ZINC001590582522 1093500316 /nfs/dbraw/zinc/50/03/16/1093500316.db2.gz QJCCXRVELUHGGS-LBPRGKRZSA-N -1 3 331.401 2.562 20 30 EFEDHM CCCC[C@H](Sc1c(C#N)cccc1-c1nn[n-]n1)C(=O)OC ZINC001590582522 1093500322 /nfs/dbraw/zinc/50/03/22/1093500322.db2.gz QJCCXRVELUHGGS-LBPRGKRZSA-N -1 3 331.401 2.562 20 30 EFEDHM CCCCCCCNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001590592306 1093503614 /nfs/dbraw/zinc/50/36/14/1093503614.db2.gz MLJJEPTWSZJHAI-CYBMUJFWSA-N -1 3 331.420 2.721 20 30 EFEDHM CCCCCCCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590592340 1093503690 /nfs/dbraw/zinc/50/36/90/1093503690.db2.gz NWYUNBMVAPIDOO-MRXNPFEDSA-N -1 3 340.431 2.636 20 30 EFEDHM CCCCCCCS(=O)(=O)Oc1cc(-c2nnn[n-]2)ccc1C ZINC001590594618 1093505446 /nfs/dbraw/zinc/50/54/46/1093505446.db2.gz OXFSYBPLHPQAOK-UHFFFAOYSA-N -1 3 338.433 2.854 20 30 EFEDHM CCCCCCCS(=O)(=O)Oc1cc(-c2nn[n-]n2)ccc1C ZINC001590594618 1093505451 /nfs/dbraw/zinc/50/54/51/1093505451.db2.gz OXFSYBPLHPQAOK-UHFFFAOYSA-N -1 3 338.433 2.854 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590673602 1093542250 /nfs/dbraw/zinc/54/22/50/1093542250.db2.gz MLZOCSCKRXLLBR-ZDUSSCGKSA-N -1 3 346.394 2.962 20 30 EFEDHM CCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590673602 1093542259 /nfs/dbraw/zinc/54/22/59/1093542259.db2.gz MLZOCSCKRXLLBR-ZDUSSCGKSA-N -1 3 346.394 2.962 20 30 EFEDHM CCN(C(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C)[C@@H](C)C#N ZINC001590678669 1093544817 /nfs/dbraw/zinc/54/48/17/1093544817.db2.gz XEZRZKNPAHWJRZ-VIFPVBQESA-N -1 3 340.412 2.764 20 30 EFEDHM CCN(C(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C)[C@@H](C)C#N ZINC001590678669 1093544822 /nfs/dbraw/zinc/54/48/22/1093544822.db2.gz XEZRZKNPAHWJRZ-VIFPVBQESA-N -1 3 340.412 2.764 20 30 EFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1cc(C#N)ccc1C ZINC001590823977 1093581570 /nfs/dbraw/zinc/58/15/70/1093581570.db2.gz NAEUPNBJDAMVPM-UHFFFAOYSA-N -1 3 349.350 2.665 20 30 EFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1cc(C#N)ccc1C ZINC001590823977 1093581576 /nfs/dbraw/zinc/58/15/76/1093581576.db2.gz NAEUPNBJDAMVPM-UHFFFAOYSA-N -1 3 349.350 2.665 20 30 EFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(C#N)cc1F ZINC001590824662 1093584182 /nfs/dbraw/zinc/58/41/82/1093584182.db2.gz ACULXHYIZMHMBF-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)cc1F ZINC001590824662 1093584188 /nfs/dbraw/zinc/58/41/88/1093584188.db2.gz ACULXHYIZMHMBF-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)c1 ZINC001590843329 1093595129 /nfs/dbraw/zinc/59/51/29/1093595129.db2.gz SHEVTUMLXJTBKX-ZSOIEALJSA-N -1 3 347.378 2.873 20 30 EFEDHM CCOc1cccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)c1 ZINC001590843329 1093595136 /nfs/dbraw/zinc/59/51/36/1093595136.db2.gz SHEVTUMLXJTBKX-ZSOIEALJSA-N -1 3 347.378 2.873 20 30 EFEDHM CCSc1nnc(Sc2c(C#N)cccc2-c2nnn[n-]2)s1 ZINC001590855315 1093601574 /nfs/dbraw/zinc/60/15/74/1093601574.db2.gz HTCZSOZKTROQOX-UHFFFAOYSA-N -1 3 347.454 2.853 20 30 EFEDHM CCSc1nnc(Sc2c(C#N)cccc2-c2nn[n-]n2)s1 ZINC001590855315 1093601576 /nfs/dbraw/zinc/60/15/76/1093601576.db2.gz HTCZSOZKTROQOX-UHFFFAOYSA-N -1 3 347.454 2.853 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(C#N)c2C)s1 ZINC001590876000 1093608900 /nfs/dbraw/zinc/60/89/00/1093608900.db2.gz IPEDTKKLYLCNNW-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(C#N)c2C)s1 ZINC001590876000 1093608906 /nfs/dbraw/zinc/60/89/06/1093608906.db2.gz IPEDTKKLYLCNNW-UHFFFAOYSA-N -1 3 338.396 2.923 20 30 EFEDHM CCc1ccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001590890972 1093620386 /nfs/dbraw/zinc/62/03/86/1093620386.db2.gz BGSMLDNYMMVWFD-INIZCTEOSA-N -1 3 347.378 2.717 20 30 EFEDHM CCc1ccc(OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001590890972 1093620391 /nfs/dbraw/zinc/62/03/91/1093620391.db2.gz BGSMLDNYMMVWFD-INIZCTEOSA-N -1 3 347.378 2.717 20 30 EFEDHM CCn1c(CNc2c(C#N)cccc2-c2nnn[n-]2)nc2ccccc21 ZINC001590945798 1093639102 /nfs/dbraw/zinc/63/91/02/1093639102.db2.gz RRCCMEWXRSUNKP-UHFFFAOYSA-N -1 3 344.382 2.720 20 30 EFEDHM CCn1c(CNc2c(C#N)cccc2-c2nn[n-]n2)nc2ccccc21 ZINC001590945798 1093639107 /nfs/dbraw/zinc/63/91/07/1093639107.db2.gz RRCCMEWXRSUNKP-UHFFFAOYSA-N -1 3 344.382 2.720 20 30 EFEDHM CN(Cc1cc(C#N)cs1)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001591130655 1093666863 /nfs/dbraw/zinc/66/68/63/1093666863.db2.gz OQBSFYPZUONZIX-UHFFFAOYSA-N -1 3 345.413 2.525 20 30 EFEDHM CN(Cc1cc(C#N)cs1)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001591130655 1093666866 /nfs/dbraw/zinc/66/68/66/1093666866.db2.gz OQBSFYPZUONZIX-UHFFFAOYSA-N -1 3 345.413 2.525 20 30 EFEDHM CN(Cc1ccc(Br)cc1-c1nn[n-]n1)CC(C)(C)C#N ZINC001591140697 1093670840 /nfs/dbraw/zinc/67/08/40/1093670840.db2.gz XIHHWYMEWMBNOA-UHFFFAOYSA-N -1 3 349.236 2.611 20 30 EFEDHM COC1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCC(C)CC1 ZINC001591342218 1093698956 /nfs/dbraw/zinc/69/89/56/1093698956.db2.gz CGGDIOWMTGYYKD-UHFFFAOYSA-N -1 3 326.404 2.746 20 30 EFEDHM COC1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCC(C)CC1 ZINC001591342218 1093698958 /nfs/dbraw/zinc/69/89/58/1093698958.db2.gz CGGDIOWMTGYYKD-UHFFFAOYSA-N -1 3 326.404 2.746 20 30 EFEDHM CO[C@@H]1Cc2ccc(Nc3c(C#N)cccc3-c3nnn[n-]3)cc2C1 ZINC001591361820 1093706971 /nfs/dbraw/zinc/70/69/71/1093706971.db2.gz OOHKJGGEMLGTQU-OAHLLOKOSA-N -1 3 332.367 2.596 20 30 EFEDHM CO[C@@H]1Cc2ccc(Nc3c(C#N)cccc3-c3nn[n-]n3)cc2C1 ZINC001591361820 1093706977 /nfs/dbraw/zinc/70/69/77/1093706977.db2.gz OOHKJGGEMLGTQU-OAHLLOKOSA-N -1 3 332.367 2.596 20 30 EFEDHM COCC(C)(C)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001591367914 1093707200 /nfs/dbraw/zinc/70/72/00/1093707200.db2.gz GIRYHDLGXMACHM-UHFFFAOYSA-N -1 3 342.325 2.956 20 30 EFEDHM COCC(C)(C)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001591367914 1093707204 /nfs/dbraw/zinc/70/72/04/1093707204.db2.gz GIRYHDLGXMACHM-UHFFFAOYSA-N -1 3 342.325 2.956 20 30 EFEDHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)CC(C)(C)C#N ZINC001591444099 1093723477 /nfs/dbraw/zinc/72/34/77/1093723477.db2.gz ROMGANDKSIOOSF-LBPRGKRZSA-N -1 3 344.419 2.632 20 30 EFEDHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)CC(C)(C)C#N ZINC001591444099 1093723484 /nfs/dbraw/zinc/72/34/84/1093723484.db2.gz ROMGANDKSIOOSF-LBPRGKRZSA-N -1 3 344.419 2.632 20 30 EFEDHM COc1cc(C(=O)Nc2ccc(CCC#N)cc2)ccc1-c1nnn[n-]1 ZINC001591516755 1093747002 /nfs/dbraw/zinc/74/70/02/1093747002.db2.gz MIWAJOTYYVPOTI-UHFFFAOYSA-N -1 3 348.366 2.584 20 30 EFEDHM COc1cc(C(=O)Nc2ccc(CCC#N)cc2)ccc1-c1nn[n-]n1 ZINC001591516755 1093747005 /nfs/dbraw/zinc/74/70/05/1093747005.db2.gz MIWAJOTYYVPOTI-UHFFFAOYSA-N -1 3 348.366 2.584 20 30 EFEDHM COc1cc(C=NNc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC001591522119 1093749360 /nfs/dbraw/zinc/74/93/60/1093749360.db2.gz ARSSHUZQGKIHTO-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM COc1cc(C=NNc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC001591522119 1093749367 /nfs/dbraw/zinc/74/93/67/1093749367.db2.gz ARSSHUZQGKIHTO-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM COc1cc(C=NNc2ccc(F)cc2C)ccc1-c1nnn[n-]1 ZINC001591523045 1093752188 /nfs/dbraw/zinc/75/21/88/1093752188.db2.gz ORPNOSIYZNNBNR-UHFFFAOYSA-N -1 3 326.335 2.769 20 30 EFEDHM COc1cc(C=NNc2ccc(F)cc2C)ccc1-c1nn[n-]n1 ZINC001591523045 1093752191 /nfs/dbraw/zinc/75/21/91/1093752191.db2.gz ORPNOSIYZNNBNR-UHFFFAOYSA-N -1 3 326.335 2.769 20 30 EFEDHM COc1cc(Oc2cc(C#N)sc2[N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591553206 1093766871 /nfs/dbraw/zinc/76/68/71/1093766871.db2.gz ACNAFEMFPQWYTQ-UHFFFAOYSA-N -1 3 344.312 2.509 20 30 EFEDHM COc1cc(Oc2cc(C#N)sc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591553206 1093766878 /nfs/dbraw/zinc/76/68/78/1093766878.db2.gz ACNAFEMFPQWYTQ-UHFFFAOYSA-N -1 3 344.312 2.509 20 30 EFEDHM COc1ccc(NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)cc1C#N ZINC001591615288 1093798887 /nfs/dbraw/zinc/79/88/87/1093798887.db2.gz ADGBHFBFRHFANI-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)cc1C#N ZINC001591615288 1093798892 /nfs/dbraw/zinc/79/88/92/1093798892.db2.gz ADGBHFBFRHFANI-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001591618921 1093801524 /nfs/dbraw/zinc/80/15/24/1093801524.db2.gz BWUHKTWSUXBTRK-VURMDHGXSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001591618921 1093801530 /nfs/dbraw/zinc/80/15/30/1093801530.db2.gz BWUHKTWSUXBTRK-VURMDHGXSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc2c(c1F)CC(=Cc1cc(-c3nnn[n-]3)cs1)C2=O ZINC001591628560 1093805421 /nfs/dbraw/zinc/80/54/21/1093805421.db2.gz FTXJRBBVURMGPN-YWEYNIOJSA-N -1 3 342.355 2.898 20 30 EFEDHM COc1ccc2c(c1F)CC(=Cc1cc(-c3nn[n-]n3)cs1)C2=O ZINC001591628560 1093805429 /nfs/dbraw/zinc/80/54/29/1093805429.db2.gz FTXJRBBVURMGPN-YWEYNIOJSA-N -1 3 342.355 2.898 20 30 EFEDHM COc1ccc2c(c1)OC(=Cc1cccc(F)c1-c1nnn[n-]1)C2=O ZINC001591627788 1093806298 /nfs/dbraw/zinc/80/62/98/1093806298.db2.gz JHHLMIKCMXNHAG-VGOFMYFVSA-N -1 3 338.298 2.631 20 30 EFEDHM COc1cccc(OC)c1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001591644599 1093814798 /nfs/dbraw/zinc/81/47/98/1093814798.db2.gz KQCWCLUYYPTVSD-KHPPLWFESA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cccc(OC)c1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001591644599 1093814809 /nfs/dbraw/zinc/81/48/09/1093814809.db2.gz KQCWCLUYYPTVSD-KHPPLWFESA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ncc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001591663138 1093822973 /nfs/dbraw/zinc/82/29/73/1093822973.db2.gz UIMNJNHGNJGHGQ-AATRIKPKSA-N -1 3 341.758 2.820 20 30 EFEDHM COc1ncc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001591663138 1093822977 /nfs/dbraw/zinc/82/29/77/1093822977.db2.gz UIMNJNHGNJGHGQ-AATRIKPKSA-N -1 3 341.758 2.820 20 30 EFEDHM C[Si](C)(C)C#CCCNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001591779590 1093857074 /nfs/dbraw/zinc/85/70/74/1093857074.db2.gz JETQWTQKBXIMHE-UHFFFAOYSA-N -1 3 347.882 2.521 20 30 EFEDHM C[Si](C)(C)C#CCCNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001591779590 1093857080 /nfs/dbraw/zinc/85/70/80/1093857080.db2.gz JETQWTQKBXIMHE-UHFFFAOYSA-N -1 3 347.882 2.521 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001591800071 1093863062 /nfs/dbraw/zinc/86/30/62/1093863062.db2.gz UICSIXREOXZXBF-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001591800071 1093863069 /nfs/dbraw/zinc/86/30/69/1093863069.db2.gz UICSIXREOXZXBF-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001591800173 1093863757 /nfs/dbraw/zinc/86/37/57/1093863757.db2.gz XSBKOJVFQOERRH-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001591800173 1093863761 /nfs/dbraw/zinc/86/37/61/1093863761.db2.gz XSBKOJVFQOERRH-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1C(C)C ZINC001591802187 1093865068 /nfs/dbraw/zinc/86/50/68/1093865068.db2.gz UFVOQOPQYSQNHY-GQCTYLIASA-N -1 3 328.401 2.910 20 30 EFEDHM Cc1c(C(=O)N[C@@H](CCC#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC001591806378 1093867201 /nfs/dbraw/zinc/86/72/01/1093867201.db2.gz RRRMHJYQXWLZPK-KRWDZBQOSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1c(C(=O)N[C@@H](CCC#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC001591806378 1093867205 /nfs/dbraw/zinc/86/72/05/1093867205.db2.gz RRRMHJYQXWLZPK-KRWDZBQOSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)cccc1-c1nnn[n-]1 ZINC001591811866 1093868545 /nfs/dbraw/zinc/86/85/45/1093868545.db2.gz QCPAMUOUIPLPMO-NSHDSACASA-N -1 3 348.366 2.718 20 30 EFEDHM Cc1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)cccc1-c1nn[n-]n1 ZINC001591811866 1093868550 /nfs/dbraw/zinc/86/85/50/1093868550.db2.gz QCPAMUOUIPLPMO-NSHDSACASA-N -1 3 348.366 2.718 20 30 EFEDHM Cc1c2c(nc(SCC3(C#N)CCC3)c1-c1nnn[n-]1)CCC2 ZINC001591829929 1093875830 /nfs/dbraw/zinc/87/58/30/1093875830.db2.gz DBQOSGBRZOPIDW-UHFFFAOYSA-N -1 3 326.429 2.845 20 30 EFEDHM Cc1c2c(nc(SCC3(C#N)CCC3)c1-c1nn[n-]n1)CCC2 ZINC001591829929 1093875834 /nfs/dbraw/zinc/87/58/34/1093875834.db2.gz DBQOSGBRZOPIDW-UHFFFAOYSA-N -1 3 326.429 2.845 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1cccc(OCC#N)c1 ZINC001591839504 1093879917 /nfs/dbraw/zinc/87/99/17/1093879917.db2.gz VLAZVIBHIPPSKD-UHFFFAOYSA-N -1 3 348.366 2.638 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1cccc(OCC#N)c1 ZINC001591839504 1093879923 /nfs/dbraw/zinc/87/99/23/1093879923.db2.gz VLAZVIBHIPPSKD-UHFFFAOYSA-N -1 3 348.366 2.638 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN1CCc2ccc(C#N)cc21 ZINC001591847784 1093887334 /nfs/dbraw/zinc/88/73/34/1093887334.db2.gz DDEWXFROYXHJBW-UHFFFAOYSA-N -1 3 330.395 2.918 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN1CCc2ccc(C#N)cc21 ZINC001591847784 1093887344 /nfs/dbraw/zinc/88/73/44/1093887344.db2.gz DDEWXFROYXHJBW-UHFFFAOYSA-N -1 3 330.395 2.918 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591906035 1093914030 /nfs/dbraw/zinc/91/40/30/1093914030.db2.gz SDSOLABKJDLSAR-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591906035 1093914037 /nfs/dbraw/zinc/91/40/37/1093914037.db2.gz SDSOLABKJDLSAR-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc(C)c1-c1nnn[n-]1 ZINC001591919464 1093916508 /nfs/dbraw/zinc/91/65/08/1093916508.db2.gz FHXCTQIIVNVFQW-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc(C)c1-c1nn[n-]n1 ZINC001591919464 1093916515 /nfs/dbraw/zinc/91/65/15/1093916515.db2.gz FHXCTQIIVNVFQW-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(Cl)c2ncc(-c3nnn[n-]3)c(NC[C@@H](C)C#N)c2c1 ZINC001591976038 1093941694 /nfs/dbraw/zinc/94/16/94/1093941694.db2.gz ZLBVBANBOMTTEK-VIFPVBQESA-N -1 3 327.779 2.948 20 30 EFEDHM Cc1cc(Cl)c2ncc(-c3nn[n-]n3)c(NC[C@@H](C)C#N)c2c1 ZINC001591976038 1093941697 /nfs/dbraw/zinc/94/16/97/1093941697.db2.gz ZLBVBANBOMTTEK-VIFPVBQESA-N -1 3 327.779 2.948 20 30 EFEDHM Cc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc(C#N)n1 ZINC001591999701 1093951250 /nfs/dbraw/zinc/95/12/50/1093951250.db2.gz IQPBTXAZIHLEHB-UHFFFAOYSA-N -1 3 343.394 2.736 20 30 EFEDHM Cc1cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc(C#N)n1 ZINC001591999701 1093951252 /nfs/dbraw/zinc/95/12/52/1093951252.db2.gz IQPBTXAZIHLEHB-UHFFFAOYSA-N -1 3 343.394 2.736 20 30 EFEDHM Cc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)ncc1-c1nnn[n-]1 ZINC001592000418 1093951611 /nfs/dbraw/zinc/95/16/11/1093951611.db2.gz WKGPCEOZMJXIPO-UHFFFAOYSA-N -1 3 343.394 2.736 20 30 EFEDHM Cc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)ncc1-c1nn[n-]n1 ZINC001592000418 1093951614 /nfs/dbraw/zinc/95/16/14/1093951614.db2.gz WKGPCEOZMJXIPO-UHFFFAOYSA-N -1 3 343.394 2.736 20 30 EFEDHM Cc1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)ncc1C#N ZINC001592037022 1093964596 /nfs/dbraw/zinc/96/45/96/1093964596.db2.gz HTUOWGMWUBQOMR-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ncc1C#N ZINC001592037022 1093964598 /nfs/dbraw/zinc/96/45/98/1093964598.db2.gz HTUOWGMWUBQOMR-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1cc(OC(=O)C2(C#N)CCCC2)c(C)c(C)c1-c1nn[n-]n1 ZINC001592057620 1093970248 /nfs/dbraw/zinc/97/02/48/1093970248.db2.gz KJZJMMXBXZINFD-UHFFFAOYSA-N -1 3 325.372 2.781 20 30 EFEDHM Cc1cc(OCc2c(C#N)cccc2[N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001592058678 1093971048 /nfs/dbraw/zinc/97/10/48/1093971048.db2.gz BKOSXRSWMNQUCK-UHFFFAOYSA-N -1 3 336.311 2.534 20 30 EFEDHM Cc1cc(OCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])ccc1C#N ZINC001592059580 1093971170 /nfs/dbraw/zinc/97/11/70/1093971170.db2.gz PMZKUOWQSIWYDR-UHFFFAOYSA-N -1 3 336.311 2.534 20 30 EFEDHM Cc1cc(OCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])ccc1C#N ZINC001592059580 1093971174 /nfs/dbraw/zinc/97/11/74/1093971174.db2.gz PMZKUOWQSIWYDR-UHFFFAOYSA-N -1 3 336.311 2.534 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC001592098723 1093979073 /nfs/dbraw/zinc/97/90/73/1093979073.db2.gz ZPBYXHJEMUEXAV-KRWDZBQOSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC001592098723 1093979077 /nfs/dbraw/zinc/97/90/77/1093979077.db2.gz ZPBYXHJEMUEXAV-KRWDZBQOSA-N -1 3 346.394 2.950 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001592113068 1093984400 /nfs/dbraw/zinc/98/44/00/1093984400.db2.gz DLJLRXVFGNOAIR-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001592113068 1093984404 /nfs/dbraw/zinc/98/44/04/1093984404.db2.gz DLJLRXVFGNOAIR-GFCCVEGCSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001592113027 1093984979 /nfs/dbraw/zinc/98/49/79/1093984979.db2.gz CZTLLKBUNVJRHX-JKSUJKDBSA-N -1 3 344.378 2.789 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001592113027 1093984985 /nfs/dbraw/zinc/98/49/85/1093984985.db2.gz CZTLLKBUNVJRHX-JKSUJKDBSA-N -1 3 344.378 2.789 20 30 EFEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001592115612 1093985906 /nfs/dbraw/zinc/98/59/06/1093985906.db2.gz SOVCZBDHZODKAW-SOFGYWHQSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC001592115612 1093985909 /nfs/dbraw/zinc/98/59/09/1093985909.db2.gz SOVCZBDHZODKAW-SOFGYWHQSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592143556 1093997328 /nfs/dbraw/zinc/99/73/28/1093997328.db2.gz GSXGXMGBYRDIQL-HJWRWDBZSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592143556 1093997330 /nfs/dbraw/zinc/99/73/30/1093997330.db2.gz GSXGXMGBYRDIQL-HJWRWDBZSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1F ZINC001592145289 1093998103 /nfs/dbraw/zinc/99/81/03/1093998103.db2.gz YCQNBENOQXYVNN-MLPAPPSSSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1F ZINC001592145289 1093998105 /nfs/dbraw/zinc/99/81/05/1093998105.db2.gz YCQNBENOQXYVNN-MLPAPPSSSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc(CCCN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cn1 ZINC001592150760 1094000949 /nfs/dbraw/zinc/00/09/49/1094000949.db2.gz SIYRXOCOYSVLOZ-UHFFFAOYSA-N -1 3 342.794 2.649 20 30 EFEDHM Cc1ccc(CCCN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cn1 ZINC001592150760 1094000954 /nfs/dbraw/zinc/00/09/54/1094000954.db2.gz SIYRXOCOYSVLOZ-UHFFFAOYSA-N -1 3 342.794 2.649 20 30 EFEDHM Cc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)c(Cl)n1 ZINC001592166901 1094010449 /nfs/dbraw/zinc/01/04/49/1094010449.db2.gz NKTGDYPRZPZJMS-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)c(Cl)n1 ZINC001592166901 1094010454 /nfs/dbraw/zinc/01/04/54/1094010454.db2.gz NKTGDYPRZPZJMS-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1ccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)cc1C#N ZINC001592167955 1094011483 /nfs/dbraw/zinc/01/14/83/1094011483.db2.gz XOBUQLIDYGXQAZ-UHFFFAOYSA-N -1 3 331.383 2.543 20 30 EFEDHM Cc1ccc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)cc1C#N ZINC001592167955 1094011491 /nfs/dbraw/zinc/01/14/91/1094011491.db2.gz XOBUQLIDYGXQAZ-UHFFFAOYSA-N -1 3 331.383 2.543 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(OCc3ccc(C#N)o3)c2c1 ZINC001592209827 1094033042 /nfs/dbraw/zinc/03/30/42/1094033042.db2.gz FOJZVUITXMLHGL-UHFFFAOYSA-N -1 3 332.323 2.767 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(OCc3ccc(C#N)o3)c2c1 ZINC001592209827 1094033047 /nfs/dbraw/zinc/03/30/47/1094033047.db2.gz FOJZVUITXMLHGL-UHFFFAOYSA-N -1 3 332.323 2.767 20 30 EFEDHM Cc1csc([C@H](C)CNc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001592313939 1094073875 /nfs/dbraw/zinc/07/38/75/1094073875.db2.gz CTRXZELRAMIROX-SECBINFHSA-N -1 3 325.401 2.719 20 30 EFEDHM Cc1csc([C@H](C)CNc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001592313939 1094073883 /nfs/dbraw/zinc/07/38/83/1094073883.db2.gz CTRXZELRAMIROX-SECBINFHSA-N -1 3 325.401 2.719 20 30 EFEDHM Cc1nc(C(=O)OCCCCC2(C#N)CCC2)ccc1-c1nnn[n-]1 ZINC001592352302 1094084517 /nfs/dbraw/zinc/08/45/17/1094084517.db2.gz TUEVBRVVPCGQMB-UHFFFAOYSA-N -1 3 340.387 2.591 20 30 EFEDHM Cc1nc(C(=O)OCCCCC2(C#N)CCC2)ccc1-c1nn[n-]n1 ZINC001592352302 1094084521 /nfs/dbraw/zinc/08/45/21/1094084521.db2.gz TUEVBRVVPCGQMB-UHFFFAOYSA-N -1 3 340.387 2.591 20 30 EFEDHM Cc1csc2nc(C)c(C=NNc3cccc(-c4nn[n-]n4)c3)n12 ZINC001592405558 1094100775 /nfs/dbraw/zinc/10/07/75/1094100775.db2.gz DCPMASKACYYUFL-UHFFFAOYSA-N -1 3 338.400 2.639 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@@H]2CC2(Cl)Cl)n1 ZINC001592524900 1094121990 /nfs/dbraw/zinc/12/19/90/1094121990.db2.gz OJHOGNNOWUIWJT-LURJTMIESA-N -1 3 332.582 2.507 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@@H]2CC2(Cl)Cl)n1 ZINC001592524900 1094121995 /nfs/dbraw/zinc/12/19/95/1094121995.db2.gz OJHOGNNOWUIWJT-LURJTMIESA-N -1 3 332.582 2.507 20 30 EFEDHM Clc1cc(NN=Cc2nc3c(s2)CCC3)ccc1-c1nnn[n-]1 ZINC001592526938 1094122746 /nfs/dbraw/zinc/12/27/46/1094122746.db2.gz SMHCKBZCGLDKKV-UHFFFAOYSA-N -1 3 345.819 2.911 20 30 EFEDHM Clc1cc(NN=Cc2nc3c(s2)CCC3)ccc1-c1nn[n-]n1 ZINC001592526938 1094122751 /nfs/dbraw/zinc/12/27/51/1094122751.db2.gz SMHCKBZCGLDKKV-UHFFFAOYSA-N -1 3 345.819 2.911 20 30 EFEDHM Clc1cccc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)n1 ZINC001592534550 1094129360 /nfs/dbraw/zinc/12/93/60/1094129360.db2.gz FCKXEZFIDWENLC-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM Clc1cccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)n1 ZINC001592534550 1094129364 /nfs/dbraw/zinc/12/93/64/1094129364.db2.gz FCKXEZFIDWENLC-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM Clc1nc2ccccn2c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001592539519 1094132725 /nfs/dbraw/zinc/13/27/25/1094132725.db2.gz VUWCHBIUMRIUEU-UHFFFAOYSA-N -1 3 338.762 2.614 20 30 EFEDHM Cn1cc(C=CC(=O)c2ccccc2-c2nnn[n-]2)c(C(C)(C)C)n1 ZINC001592567005 1094134559 /nfs/dbraw/zinc/13/45/59/1094134559.db2.gz NBTUQBMPPGQMIX-MDZDMXLPSA-N -1 3 336.399 2.794 20 30 EFEDHM Cn1cc(C=CC(=O)c2ccccc2-c2nn[n-]n2)c(C(C)(C)C)n1 ZINC001592567005 1094134563 /nfs/dbraw/zinc/13/45/63/1094134563.db2.gz NBTUQBMPPGQMIX-MDZDMXLPSA-N -1 3 336.399 2.794 20 30 EFEDHM Cn1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c(C(C)(C)C)n1 ZINC001592566640 1094134917 /nfs/dbraw/zinc/13/49/17/1094134917.db2.gz CVIVIPKFPFTQOB-MDWZMJQESA-N -1 3 348.410 2.720 20 30 EFEDHM Cn1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c(C(C)(C)C)n1 ZINC001592566640 1094134919 /nfs/dbraw/zinc/13/49/19/1094134919.db2.gz CVIVIPKFPFTQOB-MDWZMJQESA-N -1 3 348.410 2.720 20 30 EFEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)cn1 ZINC001592563070 1094135123 /nfs/dbraw/zinc/13/51/23/1094135123.db2.gz HTYOJJDQPCMFCC-PLNGDYQASA-N -1 3 348.288 2.515 20 30 EFEDHM Cn1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cn1 ZINC001592563070 1094135126 /nfs/dbraw/zinc/13/51/26/1094135126.db2.gz HTYOJJDQPCMFCC-PLNGDYQASA-N -1 3 348.288 2.515 20 30 EFEDHM Cn1ncc(Cl)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001592600895 1094137895 /nfs/dbraw/zinc/13/78/95/1094137895.db2.gz HGJACXZUQMZUEU-SNAWJCMRSA-N -1 3 349.181 2.803 20 30 EFEDHM Cn1ncc(Cl)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001592600895 1094137899 /nfs/dbraw/zinc/13/78/99/1094137899.db2.gz HGJACXZUQMZUEU-SNAWJCMRSA-N -1 3 349.181 2.803 20 30 EFEDHM FC(F)Oc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592626487 1094145238 /nfs/dbraw/zinc/14/52/38/1094145238.db2.gz QCMLVNCTMIKLBH-UHFFFAOYSA-N -1 3 330.298 2.914 20 30 EFEDHM FC(F)Oc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592626487 1094145243 /nfs/dbraw/zinc/14/52/43/1094145243.db2.gz QCMLVNCTMIKLBH-UHFFFAOYSA-N -1 3 330.298 2.914 20 30 EFEDHM Fc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)cc1)CCCO2 ZINC001592652943 1094165419 /nfs/dbraw/zinc/16/54/19/1094165419.db2.gz BPUPXRHEMJJGPC-UHFFFAOYSA-N -1 3 338.346 2.995 20 30 EFEDHM N#C[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)C1CCCCC1 ZINC001592668288 1094172898 /nfs/dbraw/zinc/17/28/98/1094172898.db2.gz IXLDTMJZVIHYOX-CQSZACIVSA-N -1 3 349.398 2.550 20 30 EFEDHM N#CC1(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CCCCC1 ZINC001592669186 1094172979 /nfs/dbraw/zinc/17/29/79/1094172979.db2.gz UIUBFXZKOHNVOJ-UHFFFAOYSA-N -1 3 343.366 2.601 20 30 EFEDHM N#CC1(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CCCCC1 ZINC001592669186 1094172982 /nfs/dbraw/zinc/17/29/82/1094172982.db2.gz UIUBFXZKOHNVOJ-UHFFFAOYSA-N -1 3 343.366 2.601 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCC1CCCC1 ZINC001592669475 1094172995 /nfs/dbraw/zinc/17/29/95/1094172995.db2.gz SDVUEQGCFLXXQF-MRXNPFEDSA-N -1 3 339.399 2.672 20 30 EFEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCC1CCCC1 ZINC001592669475 1094172997 /nfs/dbraw/zinc/17/29/97/1094172997.db2.gz SDVUEQGCFLXXQF-MRXNPFEDSA-N -1 3 339.399 2.672 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CC2CCC1CC2 ZINC001592667121 1094173266 /nfs/dbraw/zinc/17/32/66/1094173266.db2.gz PFHORUKTBMJZAV-QHQKPKPBSA-N -1 3 340.362 2.664 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CC2CCC1CC2 ZINC001592667121 1094173269 /nfs/dbraw/zinc/17/32/69/1094173269.db2.gz PFHORUKTBMJZAV-QHQKPKPBSA-N -1 3 340.362 2.664 20 30 EFEDHM N#CC1(C(=O)N2CCCc3c(-c4nnn[n-]4)cccc32)CCCCC1 ZINC001592668546 1094173282 /nfs/dbraw/zinc/17/32/82/1094173282.db2.gz FOEIOHDQANTRGJ-UHFFFAOYSA-N -1 3 336.399 2.620 20 30 EFEDHM N#CC1(C(=O)N2CCCc3c(-c4nn[n-]n4)cccc32)CCCCC1 ZINC001592668546 1094173285 /nfs/dbraw/zinc/17/32/85/1094173285.db2.gz FOEIOHDQANTRGJ-UHFFFAOYSA-N -1 3 336.399 2.620 20 30 EFEDHM N#C[C@]1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)CC2CCC1CC2 ZINC001592666819 1094173324 /nfs/dbraw/zinc/17/33/24/1094173324.db2.gz LERFTKMGNBTNKI-WDFXGECGSA-N -1 3 341.346 2.631 20 30 EFEDHM N#C[C@]1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)CC2CCC1CC2 ZINC001592666819 1094173328 /nfs/dbraw/zinc/17/33/28/1094173328.db2.gz LERFTKMGNBTNKI-WDFXGECGSA-N -1 3 341.346 2.631 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CC2CCC1CC2 ZINC001592667106 1094173380 /nfs/dbraw/zinc/17/33/80/1094173380.db2.gz PAZDMPWXTNYPQV-IGCAFJPESA-N -1 3 340.362 2.664 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CC2CCC1CC2 ZINC001592667106 1094173384 /nfs/dbraw/zinc/17/33/84/1094173384.db2.gz PAZDMPWXTNYPQV-IGCAFJPESA-N -1 3 340.362 2.664 20 30 EFEDHM N#CC1(C[C@@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001592668806 1094173535 /nfs/dbraw/zinc/17/35/35/1094173535.db2.gz PVOKRCGVYNCMQR-SNVBAGLBSA-N -1 3 335.820 2.667 20 30 EFEDHM N#CC1(C[C@@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001592668806 1094173539 /nfs/dbraw/zinc/17/35/39/1094173539.db2.gz PVOKRCGVYNCMQR-SNVBAGLBSA-N -1 3 335.820 2.667 20 30 EFEDHM N#CC1(CC(=O)Nc2cnc(Cl)cc2-c2nnn[n-]2)CCCCC1 ZINC001592667149 1094173810 /nfs/dbraw/zinc/17/38/10/1094173810.db2.gz PZGWTJGLUCYLPG-UHFFFAOYSA-N -1 3 345.794 2.718 20 30 EFEDHM N#CC1(CC(=O)Nc2cnc(Cl)cc2-c2nn[n-]n2)CCCCC1 ZINC001592667149 1094173811 /nfs/dbraw/zinc/17/38/11/1094173811.db2.gz PZGWTJGLUCYLPG-UHFFFAOYSA-N -1 3 345.794 2.718 20 30 EFEDHM N#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001592675128 1094174096 /nfs/dbraw/zinc/17/40/96/1094174096.db2.gz RKOSLIARTQKZMF-UHFFFAOYSA-N -1 3 339.277 2.623 20 30 EFEDHM N#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001592675128 1094174103 /nfs/dbraw/zinc/17/41/03/1094174103.db2.gz RKOSLIARTQKZMF-UHFFFAOYSA-N -1 3 339.277 2.623 20 30 EFEDHM N#C[C@H]1CCC[C@H](OC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC001592671981 1094174546 /nfs/dbraw/zinc/17/45/46/1094174546.db2.gz ADIBMJCCFBDTPR-ONGXEEELSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@H]1CCC[C@H](OC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC001592671981 1094174550 /nfs/dbraw/zinc/17/45/50/1094174550.db2.gz ADIBMJCCFBDTPR-ONGXEEELSA-N -1 3 331.763 2.759 20 30 EFEDHM N#C[C@@H]1CCC[C@H](OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592672368 1094174619 /nfs/dbraw/zinc/17/46/19/1094174619.db2.gz GSJKPWJVLKFUAE-YPMHNXCESA-N -1 3 343.412 2.584 20 30 EFEDHM N#C[C@@H]1CCC[C@H](OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592672368 1094174622 /nfs/dbraw/zinc/17/46/22/1094174622.db2.gz GSJKPWJVLKFUAE-YPMHNXCESA-N -1 3 343.412 2.584 20 30 EFEDHM N#CCCCCC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592674674 1094174630 /nfs/dbraw/zinc/17/46/30/1094174630.db2.gz IQKOGGVIBNYUDW-UHFFFAOYSA-N -1 3 338.415 2.657 20 30 EFEDHM N#CCCCCC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592674674 1094174634 /nfs/dbraw/zinc/17/46/34/1094174634.db2.gz IQKOGGVIBNYUDW-UHFFFAOYSA-N -1 3 338.415 2.657 20 30 EFEDHM N#CCCC[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001592674917 1094174642 /nfs/dbraw/zinc/17/46/42/1094174642.db2.gz MTJCBQHTIVAOHE-CYBMUJFWSA-N -1 3 339.428 2.848 20 30 EFEDHM N#CCCC[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001592674917 1094174645 /nfs/dbraw/zinc/17/46/45/1094174645.db2.gz MTJCBQHTIVAOHE-CYBMUJFWSA-N -1 3 339.428 2.848 20 30 EFEDHM N#C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3c(Cl)cccc32)C1 ZINC001592673167 1094174673 /nfs/dbraw/zinc/17/46/73/1094174673.db2.gz VQPYMSYALYZPAD-JTQLQIEISA-N -1 3 339.790 2.808 20 30 EFEDHM N#C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3c(Cl)cccc32)C1 ZINC001592673167 1094174676 /nfs/dbraw/zinc/17/46/76/1094174676.db2.gz VQPYMSYALYZPAD-JTQLQIEISA-N -1 3 339.790 2.808 20 30 EFEDHM N#CC[C@@H](CC(=O)OCc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC001592675553 1094174810 /nfs/dbraw/zinc/17/48/10/1094174810.db2.gz QSGVKKUISQYKJQ-HNNXBMFYSA-N -1 3 347.378 2.997 20 30 EFEDHM N#CC[C@@H](CC(=O)OCc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC001592675553 1094174816 /nfs/dbraw/zinc/17/48/16/1094174816.db2.gz QSGVKKUISQYKJQ-HNNXBMFYSA-N -1 3 347.378 2.997 20 30 EFEDHM N#CCCCCOC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001592676208 1094175495 /nfs/dbraw/zinc/17/54/95/1094175495.db2.gz FYHFMNMDOWUUOE-UHFFFAOYSA-N -1 3 339.399 2.916 20 30 EFEDHM N#CCCCCOC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001592676208 1094175499 /nfs/dbraw/zinc/17/54/99/1094175499.db2.gz FYHFMNMDOWUUOE-UHFFFAOYSA-N -1 3 339.399 2.916 20 30 EFEDHM N#CCc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC001592680307 1094175803 /nfs/dbraw/zinc/17/58/03/1094175803.db2.gz ULKIBQQMJATFNJ-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC001592680307 1094175806 /nfs/dbraw/zinc/17/58/06/1094175806.db2.gz ULKIBQQMJATFNJ-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCCc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592677678 1094176294 /nfs/dbraw/zinc/17/62/94/1094176294.db2.gz FCYRETATQMUFAF-UHFFFAOYSA-N -1 3 346.394 2.894 20 30 EFEDHM N#CCCc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592677678 1094176296 /nfs/dbraw/zinc/17/62/96/1094176296.db2.gz FCYRETATQMUFAF-UHFFFAOYSA-N -1 3 346.394 2.894 20 30 EFEDHM N#Cc1c2c(sc1NC(=O)c1sccc1-c1nnn[n-]1)CCC2 ZINC001592685470 1094176366 /nfs/dbraw/zinc/17/63/66/1094176366.db2.gz UHSCAYKOBGFWOV-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@@H]1C=CCCCCC1 ZINC001592686398 1094176398 /nfs/dbraw/zinc/17/63/98/1094176398.db2.gz KOGWWRWIUGIVHT-LLVKDONJSA-N -1 3 327.417 2.697 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@@H]1C=CCCCCC1 ZINC001592686398 1094176401 /nfs/dbraw/zinc/17/64/01/1094176401.db2.gz KOGWWRWIUGIVHT-LLVKDONJSA-N -1 3 327.417 2.697 20 30 EFEDHM N#CCc1ccsc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001592680828 1094176427 /nfs/dbraw/zinc/17/64/27/1094176427.db2.gz JBEPFKXGIVNKEW-UHFFFAOYSA-N -1 3 344.787 2.900 20 30 EFEDHM N#CCc1ccsc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001592680828 1094176430 /nfs/dbraw/zinc/17/64/30/1094176430.db2.gz JBEPFKXGIVNKEW-UHFFFAOYSA-N -1 3 344.787 2.900 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccsc2Cl)nc1N ZINC001592686342 1094176652 /nfs/dbraw/zinc/17/66/52/1094176652.db2.gz AMWBSPQUPJAFFL-UHFFFAOYSA-N -1 3 349.832 2.723 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccsc2Cl)nc1N ZINC001592686342 1094176655 /nfs/dbraw/zinc/17/66/55/1094176655.db2.gz AMWBSPQUPJAFFL-UHFFFAOYSA-N -1 3 349.832 2.723 20 30 EFEDHM N#CCCc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001592677788 1094176777 /nfs/dbraw/zinc/17/67/77/1094176777.db2.gz HDHJXRWMDVPZAE-UHFFFAOYSA-N -1 3 336.330 2.714 20 30 EFEDHM N#CCCc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001592677788 1094176780 /nfs/dbraw/zinc/17/67/80/1094176780.db2.gz HDHJXRWMDVPZAE-UHFFFAOYSA-N -1 3 336.330 2.714 20 30 EFEDHM N#Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)co1 ZINC001592687871 1094177439 /nfs/dbraw/zinc/17/74/39/1094177439.db2.gz LXDGVUCVPUTAKY-UHFFFAOYSA-N -1 3 340.368 2.524 20 30 EFEDHM N#Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)co1 ZINC001592687871 1094177441 /nfs/dbraw/zinc/17/74/41/1094177441.db2.gz LXDGVUCVPUTAKY-UHFFFAOYSA-N -1 3 340.368 2.524 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccsc1Cl ZINC001592686898 1094177643 /nfs/dbraw/zinc/17/76/43/1094177643.db2.gz KTMGNKPLPFRWHK-UHFFFAOYSA-N -1 3 349.832 2.723 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccsc1Cl ZINC001592686898 1094177646 /nfs/dbraw/zinc/17/76/46/1094177646.db2.gz KTMGNKPLPFRWHK-UHFFFAOYSA-N -1 3 349.832 2.723 20 30 EFEDHM N#Cc1cc(F)cc(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001592689599 1094177770 /nfs/dbraw/zinc/17/77/70/1094177770.db2.gz NDCJREWOOTVPRH-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cc(F)cc(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001592689599 1094177775 /nfs/dbraw/zinc/17/77/75/1094177775.db2.gz NDCJREWOOTVPRH-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)ccc1[N+](=O)[O-] ZINC001592690183 1094177829 /nfs/dbraw/zinc/17/78/29/1094177829.db2.gz OJJGBETXRXNRBZ-HNNXBMFYSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)ccc1[N+](=O)[O-] ZINC001592690183 1094177832 /nfs/dbraw/zinc/17/78/32/1094177832.db2.gz OJJGBETXRXNRBZ-HNNXBMFYSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1F ZINC001592687999 1094177944 /nfs/dbraw/zinc/17/79/44/1094177944.db2.gz RKZHGHMPDOSBSN-ACAGNQJTSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1F ZINC001592687999 1094177945 /nfs/dbraw/zinc/17/79/45/1094177945.db2.gz RKZHGHMPDOSBSN-ACAGNQJTSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)ccc1-c1nnn[n-]1 ZINC001592689128 1094177955 /nfs/dbraw/zinc/17/79/55/1094177955.db2.gz DNZMJMZVHRUJNX-UONOGXRCSA-N -1 3 336.380 2.542 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)ccc1-c1nn[n-]n1 ZINC001592689128 1094177958 /nfs/dbraw/zinc/17/79/58/1094177958.db2.gz DNZMJMZVHRUJNX-UONOGXRCSA-N -1 3 336.380 2.542 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3scnc32)ccc1-c1nnn[n-]1 ZINC001592690417 1094178644 /nfs/dbraw/zinc/17/86/44/1094178644.db2.gz ZEXOQRGMLIDDNY-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3scnc32)ccc1-c1nn[n-]n1 ZINC001592690417 1094178650 /nfs/dbraw/zinc/17/86/50/1094178650.db2.gz ZEXOQRGMLIDDNY-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cc(Oc2ccccc2-c2nnn[n-]2)ncc1Br ZINC001592690315 1094179048 /nfs/dbraw/zinc/17/90/48/1094179048.db2.gz VSXFYUPZOGXLLR-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1cc(Oc2ccccc2-c2nn[n-]n2)ncc1Br ZINC001592690315 1094179051 /nfs/dbraw/zinc/17/90/51/1094179051.db2.gz VSXFYUPZOGXLLR-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cscc2-c2nnn[n-]2)c(Cl)c1 ZINC001592696064 1094179885 /nfs/dbraw/zinc/17/98/85/1094179885.db2.gz CGQMKHDHRQTYAI-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cscc2-c2nn[n-]n2)c(Cl)c1 ZINC001592696064 1094179886 /nfs/dbraw/zinc/17/98/86/1094179886.db2.gz CGQMKHDHRQTYAI-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cccc(-c2nnc(C=Cc3ccccc3-c3nnn[n-]3)o2)c1 ZINC001592698112 1094180101 /nfs/dbraw/zinc/18/01/01/1094180101.db2.gz ILBKNWRSBHLWOL-HJWRWDBZSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1cccc(-c2nnc(C=Cc3ccccc3-c3nn[n-]n3)o2)c1 ZINC001592698112 1094180106 /nfs/dbraw/zinc/18/01/06/1094180106.db2.gz ILBKNWRSBHLWOL-HJWRWDBZSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1-c1nnn[n-]1 ZINC001592695543 1094180622 /nfs/dbraw/zinc/18/06/22/1094180622.db2.gz UNMNJZPSXURPDK-FOLVSLTJSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC001592695543 1094180625 /nfs/dbraw/zinc/18/06/25/1094180625.db2.gz UNMNJZPSXURPDK-FOLVSLTJSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc(Oc2ncc(-c3nnn[n-]3)cc2Br)cc1 ZINC001592696681 1094180777 /nfs/dbraw/zinc/18/07/77/1094180777.db2.gz RFNGGLVRCAGLDN-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1ccc(Oc2ncc(-c3nn[n-]n3)cc2Br)cc1 ZINC001592696681 1094180779 /nfs/dbraw/zinc/18/07/79/1094180779.db2.gz RFNGGLVRCAGLDN-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592697650 1094180782 /nfs/dbraw/zinc/18/07/82/1094180782.db2.gz LVPKLXBSRQBJOH-KRWDZBQOSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592697650 1094180783 /nfs/dbraw/zinc/18/07/83/1094180783.db2.gz LVPKLXBSRQBJOH-KRWDZBQOSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001592699266 1094181374 /nfs/dbraw/zinc/18/13/74/1094181374.db2.gz UOTOXFWFUBRWQS-RYQLBKOJSA-N -1 3 342.406 2.978 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC001592699266 1094181377 /nfs/dbraw/zinc/18/13/77/1094181377.db2.gz UOTOXFWFUBRWQS-RYQLBKOJSA-N -1 3 342.406 2.978 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccn(C2CCCC2)n1 ZINC001592699989 1094181495 /nfs/dbraw/zinc/18/14/95/1094181495.db2.gz VYVLVHJCEHZORM-UHFFFAOYSA-N -1 3 334.387 2.662 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccn(C2CCCC2)n1 ZINC001592699989 1094181497 /nfs/dbraw/zinc/18/14/97/1094181497.db2.gz VYVLVHJCEHZORM-UHFFFAOYSA-N -1 3 334.387 2.662 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001592699993 1094181517 /nfs/dbraw/zinc/18/15/17/1094181517.db2.gz WCFKMDIEISDZOM-HNNXBMFYSA-N -1 3 348.366 2.650 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc(O[C@H]2CCOC2)cc1 ZINC001592699993 1094181520 /nfs/dbraw/zinc/18/15/20/1094181520.db2.gz WCFKMDIEISDZOM-HNNXBMFYSA-N -1 3 348.366 2.650 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@]1(c2ccccc2)CCCO1 ZINC001592699700 1094181779 /nfs/dbraw/zinc/18/17/79/1094181779.db2.gz IXZKZKUFICJLED-LJQANCHMSA-N -1 3 346.394 2.856 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@]1(c2ccccc2)CCCO1 ZINC001592699700 1094181781 /nfs/dbraw/zinc/18/17/81/1094181781.db2.gz IXZKZKUFICJLED-LJQANCHMSA-N -1 3 346.394 2.856 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cccc(-n2ccnc2)c1 ZINC001592700484 1094181948 /nfs/dbraw/zinc/18/19/48/1094181948.db2.gz IHLJKUWTHFWGKZ-UHFFFAOYSA-N -1 3 329.323 2.716 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cccc(-n2ccnc2)c1 ZINC001592700484 1094181951 /nfs/dbraw/zinc/18/19/51/1094181951.db2.gz IHLJKUWTHFWGKZ-UHFFFAOYSA-N -1 3 329.323 2.716 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001592699994 1094182162 /nfs/dbraw/zinc/18/21/62/1094182162.db2.gz WCFKMDIEISDZOM-OAHLLOKOSA-N -1 3 348.366 2.650 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC001592699994 1094182165 /nfs/dbraw/zinc/18/21/65/1094182165.db2.gz WCFKMDIEISDZOM-OAHLLOKOSA-N -1 3 348.366 2.650 20 30 EFEDHM N#Cc1cncc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC001592704880 1094182787 /nfs/dbraw/zinc/18/27/87/1094182787.db2.gz WYRLHNDSPWYEMR-UHFFFAOYSA-N -1 3 349.423 2.699 20 30 EFEDHM N#Cc1cncc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1 ZINC001592704880 1094182791 /nfs/dbraw/zinc/18/27/91/1094182791.db2.gz WYRLHNDSPWYEMR-UHFFFAOYSA-N -1 3 349.423 2.699 20 30 EFEDHM N#Cc1cccc(C2(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001592700853 1094183198 /nfs/dbraw/zinc/18/31/98/1094183198.db2.gz YVYZPQYNQCCXMX-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM N#Cc1cccc(C2(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001592700853 1094183201 /nfs/dbraw/zinc/18/32/01/1094183201.db2.gz YVYZPQYNQCCXMX-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM N#Cc1cccc2c1CCN2CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001592703216 1094183345 /nfs/dbraw/zinc/18/33/45/1094183345.db2.gz JCDGOMRBVZIMKN-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1sc(NCc2cc(-c3nnn[n-]3)ccc2F)nc1Cl ZINC001592712037 1094184641 /nfs/dbraw/zinc/18/46/41/1094184641.db2.gz WHXDIGFDXFVDJI-UHFFFAOYSA-N -1 3 335.755 2.599 20 30 EFEDHM N#Cc1sc(NCc2cc(-c3nn[n-]n3)ccc2F)nc1Cl ZINC001592712037 1094184644 /nfs/dbraw/zinc/18/46/44/1094184644.db2.gz WHXDIGFDXFVDJI-UHFFFAOYSA-N -1 3 335.755 2.599 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccnc(Cl)c1 ZINC001592793324 1094188217 /nfs/dbraw/zinc/18/82/17/1094188217.db2.gz ADNFGDHYOTYGQM-PLNGDYQASA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccnc(Cl)c1 ZINC001592793324 1094188221 /nfs/dbraw/zinc/18/82/21/1094188221.db2.gz ADNFGDHYOTYGQM-PLNGDYQASA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccnn1CC1CCC1 ZINC001592791504 1094188347 /nfs/dbraw/zinc/18/83/47/1094188347.db2.gz LIRTXSSHBDHLCK-PLNGDYQASA-N -1 3 340.412 2.821 20 30 EFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccnn1CC1CCC1 ZINC001592791504 1094188354 /nfs/dbraw/zinc/18/83/54/1094188354.db2.gz LIRTXSSHBDHLCK-PLNGDYQASA-N -1 3 340.412 2.821 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001592792081 1094188527 /nfs/dbraw/zinc/18/85/27/1094188527.db2.gz VCPLLHQXLNPCBY-BAQGIRSFSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1F ZINC001592792081 1094188531 /nfs/dbraw/zinc/18/85/31/1094188531.db2.gz VCPLLHQXLNPCBY-BAQGIRSFSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC001592794983 1094189269 /nfs/dbraw/zinc/18/92/69/1094189269.db2.gz URVOBOCCANONHA-TWGQIWQCSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001592794983 1094189272 /nfs/dbraw/zinc/18/92/72/1094189272.db2.gz URVOBOCCANONHA-TWGQIWQCSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001592795399 1094189584 /nfs/dbraw/zinc/18/95/84/1094189584.db2.gz ZHSAHSVRZIVMQN-MDZDMXLPSA-N -1 3 348.362 2.924 20 30 EFEDHM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001592795399 1094189588 /nfs/dbraw/zinc/18/95/88/1094189588.db2.gz ZHSAHSVRZIVMQN-MDZDMXLPSA-N -1 3 348.362 2.924 20 30 EFEDHM O=C(C=Cc1csc([N+](=O)[O-])c1)c1cccc(-c2nnn[n-]2)c1 ZINC001592802380 1094191621 /nfs/dbraw/zinc/19/16/21/1094191621.db2.gz CZBMDIRUSRQZTE-SNAWJCMRSA-N -1 3 327.325 2.733 20 30 EFEDHM O=C(C=Cc1csc([N+](=O)[O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001592802380 1094191625 /nfs/dbraw/zinc/19/16/25/1094191625.db2.gz CZBMDIRUSRQZTE-SNAWJCMRSA-N -1 3 327.325 2.733 20 30 EFEDHM O=C(c1csc(-c2nnn[n-]2)c1)N(O)CCCCc1ccccc1 ZINC001593371204 1094300772 /nfs/dbraw/zinc/30/07/72/1094300772.db2.gz NTQUYGAFVMWQLM-UHFFFAOYSA-N -1 3 343.412 2.783 20 30 EFEDHM O=C1c2ccc(Cl)nc2CC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001593379720 1094302421 /nfs/dbraw/zinc/30/24/21/1094302421.db2.gz HZTMRNROGAUNME-TWGQIWQCSA-N -1 3 341.733 2.877 20 30 EFEDHM O=C1c2ccc(Cl)nc2CC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001593379720 1094302425 /nfs/dbraw/zinc/30/24/25/1094302425.db2.gz HZTMRNROGAUNME-TWGQIWQCSA-N -1 3 341.733 2.877 20 30 EFEDHM O=c1[nH]c2ccccc2cc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001593541537 1094351538 /nfs/dbraw/zinc/35/15/38/1094351538.db2.gz NQGJTTXMJLIPKR-UHFFFAOYSA-N -1 3 331.339 2.567 20 30 EFEDHM O=c1[nH]c2ccccc2cc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001593541537 1094351547 /nfs/dbraw/zinc/35/15/47/1094351547.db2.gz NQGJTTXMJLIPKR-UHFFFAOYSA-N -1 3 331.339 2.567 20 30 EFEDHM Cc1cc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1C#N ZINC001600204315 1094877710 /nfs/dbraw/zinc/87/77/10/1094877710.db2.gz FOACTVWDFZQDGO-SFHVURJKSA-N -1 3 339.351 2.865 20 30 EFEDHM Cc1cc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)ccc1C#N ZINC001600204314 1094878130 /nfs/dbraw/zinc/87/81/30/1094878130.db2.gz FOACTVWDFZQDGO-GOSISDBHSA-N -1 3 339.351 2.865 20 30 EFEDHM Cc1ccc(CN2CC[C@H](Nc3ccc(C(=O)[O-])nc3C#N)C2)cc1 ZINC001600413462 1095047539 /nfs/dbraw/zinc/04/75/39/1095047539.db2.gz XRRMWSHWCYPJEV-HNNXBMFYSA-N -1 3 336.395 2.646 20 30 EFEDHM CC(C)(C)[C@@H](CNc1ccc(C#N)nc1)NC(=O)c1ccccc1[O-] ZINC001125804347 1095386499 /nfs/dbraw/zinc/38/64/99/1095386499.db2.gz NKFBERHKEVTGHD-QGZVFWFLSA-N -1 3 338.411 2.915 20 30 EFEDHM Cn1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(-c2ccccc2)n1 ZINC001600952616 1095444277 /nfs/dbraw/zinc/44/42/77/1095444277.db2.gz JRPWEIPEMBFLSG-LJQANCHMSA-N -1 3 346.390 2.874 20 30 EFEDHM Cn1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC001600953206 1095444823 /nfs/dbraw/zinc/44/48/23/1095444823.db2.gz UBEJSQXZVRKSOM-IBGZPJMESA-N -1 3 346.390 2.874 20 30 EFEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)[O-])o1 ZINC001601047119 1095477396 /nfs/dbraw/zinc/47/73/96/1095477396.db2.gz JLUKGRDOOIDLLE-JTQLQIEISA-N -1 3 332.699 2.592 20 30 EFEDHM N#CC1(C(=O)[O-])CCN(C[C@H]2CCC[C@H](c3ccccc3)O2)CC1 ZINC001601053302 1095482776 /nfs/dbraw/zinc/48/27/76/1095482776.db2.gz UEVDRCQXUDMRAI-IAGOWNOFSA-N -1 3 328.412 2.987 20 30 EFEDHM N#C[C@@H]1CC[C@@H](N[C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)C1 ZINC001601060118 1095486201 /nfs/dbraw/zinc/48/62/01/1095486201.db2.gz XFDCUIVDKSWPQY-BREBYQMCSA-N -1 3 328.290 2.993 20 30 EFEDHM N#CCCCC[C@@H](N)C(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC001601064954 1095487868 /nfs/dbraw/zinc/48/78/68/1095487868.db2.gz QATVHNXKSJXLTH-OAHLLOKOSA-N -1 3 325.368 2.888 20 30 EFEDHM N#Cc1c(CN2CCCN3c4ccccc4C[C@@H]3C2)cccc1C(=O)[O-] ZINC001601081693 1095496434 /nfs/dbraw/zinc/49/64/34/1095496434.db2.gz KHFWYVNAASHLPD-QGZVFWFLSA-N -1 3 347.418 2.893 20 30 EFEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC001601094174 1095504466 /nfs/dbraw/zinc/50/44/66/1095504466.db2.gz HUTWUZUAILNEFL-GVDBMIGSSA-N -1 3 326.396 2.717 20 30 EFEDHM N#Cc1ccc(OC2CCN([C@@H](C(=O)[O-])c3cccnc3)CC2)cc1 ZINC001601109416 1095517022 /nfs/dbraw/zinc/51/70/22/1095517022.db2.gz SSDKRORCRNLESN-GOSISDBHSA-N -1 3 337.379 2.622 20 30 EFEDHM C#C[C@@H](NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001602688466 1096350861 /nfs/dbraw/zinc/35/08/61/1096350861.db2.gz KBFYMNIEKNVTGU-KBXCAEBGSA-N -1 3 345.406 2.536 20 30 EFEDHM C#C[C@@H](NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001602688466 1096350867 /nfs/dbraw/zinc/35/08/67/1096350867.db2.gz KBFYMNIEKNVTGU-KBXCAEBGSA-N -1 3 345.406 2.536 20 30 EFEDHM C#CC[C@H](NCc1cc(Br)ccc1OC(F)F)C(=O)[O-] ZINC001602693775 1096350956 /nfs/dbraw/zinc/35/09/56/1096350956.db2.gz AIYBTMDTGYESIT-JTQLQIEISA-N -1 3 348.143 2.617 20 30 EFEDHM C#CC[C@H](NCc1cc(Cl)c(C)cc1Br)C(=O)[O-] ZINC001602694360 1096351028 /nfs/dbraw/zinc/35/10/28/1096351028.db2.gz MDCOZJDANPKOJH-LBPRGKRZSA-N -1 3 330.609 2.977 20 30 EFEDHM C#C[C@@H](CC)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602689511 1096351969 /nfs/dbraw/zinc/35/19/69/1096351969.db2.gz HMFRZJFRUZRUER-HNNXBMFYSA-N -1 3 346.394 2.752 20 30 EFEDHM C#CC[C@H]1CCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CCCC2)C1 ZINC001602700016 1096352795 /nfs/dbraw/zinc/35/27/95/1096352795.db2.gz PBYXORRZDYQPMM-HNNXBMFYSA-N -1 3 349.438 2.550 20 30 EFEDHM C#CC[C@H]1CCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CCCC2)C1 ZINC001602700016 1096352805 /nfs/dbraw/zinc/35/28/05/1096352805.db2.gz PBYXORRZDYQPMM-HNNXBMFYSA-N -1 3 349.438 2.550 20 30 EFEDHM C#CCC1(C(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)CCCCC1 ZINC001602699114 1096353016 /nfs/dbraw/zinc/35/30/16/1096353016.db2.gz CUFUTOHNWMNUKG-UHFFFAOYSA-N -1 3 337.427 2.765 20 30 EFEDHM C#CCC1(C(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)CCCCC1 ZINC001602699114 1096353021 /nfs/dbraw/zinc/35/30/21/1096353021.db2.gz CUFUTOHNWMNUKG-UHFFFAOYSA-N -1 3 337.427 2.765 20 30 EFEDHM C#C[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001602696723 1096353156 /nfs/dbraw/zinc/35/31/56/1096353156.db2.gz MTQDEUADBCGUKI-LBPRGKRZSA-N -1 3 336.399 2.621 20 30 EFEDHM C#C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001602696723 1096353165 /nfs/dbraw/zinc/35/31/65/1096353165.db2.gz MTQDEUADBCGUKI-LBPRGKRZSA-N -1 3 336.399 2.621 20 30 EFEDHM C#CCC1(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CCCCC1 ZINC001602699586 1096353242 /nfs/dbraw/zinc/35/32/42/1096353242.db2.gz ILTJPUKCBPEUEG-UHFFFAOYSA-N -1 3 343.818 2.976 20 30 EFEDHM C#CCC1(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CCCCC1 ZINC001602699586 1096353249 /nfs/dbraw/zinc/35/32/49/1096353249.db2.gz ILTJPUKCBPEUEG-UHFFFAOYSA-N -1 3 343.818 2.976 20 30 EFEDHM C#CC[C@H](NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC001602697224 1096353556 /nfs/dbraw/zinc/35/35/56/1096353556.db2.gz KWYHUBWXBTXOFM-INIZCTEOSA-N -1 3 348.366 2.629 20 30 EFEDHM C#CC[C@H](NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC001602697224 1096353562 /nfs/dbraw/zinc/35/35/62/1096353562.db2.gz KWYHUBWXBTXOFM-INIZCTEOSA-N -1 3 348.366 2.629 20 30 EFEDHM C#CCCCC(=O)N(Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001602702991 1096354882 /nfs/dbraw/zinc/35/48/82/1096354882.db2.gz KRPNQEWKITYLJC-UHFFFAOYSA-N -1 3 346.394 2.598 20 30 EFEDHM C#CCCCC(=O)N(Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001602702991 1096354887 /nfs/dbraw/zinc/35/48/87/1096354887.db2.gz KRPNQEWKITYLJC-UHFFFAOYSA-N -1 3 346.394 2.598 20 30 EFEDHM C#CCCCC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1C ZINC001602706634 1096355523 /nfs/dbraw/zinc/35/55/23/1096355523.db2.gz XKBCNZCLBTWTQY-UHFFFAOYSA-N -1 3 348.204 2.680 20 30 EFEDHM C#CCCCC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1C ZINC001602706634 1096355530 /nfs/dbraw/zinc/35/55/30/1096355530.db2.gz XKBCNZCLBTWTQY-UHFFFAOYSA-N -1 3 348.204 2.680 20 30 EFEDHM C#CCN(CC#CC)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001602720470 1096356225 /nfs/dbraw/zinc/35/62/25/1096356225.db2.gz WVOZEFACXAPDFW-UHFFFAOYSA-N -1 3 341.418 2.992 20 30 EFEDHM C#CCN(CC#CC)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001602720470 1096356232 /nfs/dbraw/zinc/35/62/32/1096356232.db2.gz WVOZEFACXAPDFW-UHFFFAOYSA-N -1 3 341.418 2.992 20 30 EFEDHM C#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001602737694 1096358450 /nfs/dbraw/zinc/35/84/50/1096358450.db2.gz VYMGPYJOMVABOZ-GOSISDBHSA-N -1 3 343.390 2.655 20 30 EFEDHM C#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001602737694 1096358458 /nfs/dbraw/zinc/35/84/58/1096358458.db2.gz VYMGPYJOMVABOZ-GOSISDBHSA-N -1 3 343.390 2.655 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)nc1 ZINC001602740015 1096359533 /nfs/dbraw/zinc/35/95/33/1096359533.db2.gz UIRCCGFFROXRTE-UHFFFAOYSA-N -1 3 340.346 2.649 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)nc1 ZINC001602740015 1096359541 /nfs/dbraw/zinc/35/95/41/1096359541.db2.gz UIRCCGFFROXRTE-UHFFFAOYSA-N -1 3 340.346 2.649 20 30 EFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccn2)n1 ZINC001602746447 1096361133 /nfs/dbraw/zinc/36/11/33/1096361133.db2.gz MOWVBODSWIOTLJ-UHFFFAOYSA-N -1 3 348.395 2.831 20 30 EFEDHM C=C(C)[C@H](C)OC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602752573 1096363595 /nfs/dbraw/zinc/36/35/95/1096363595.db2.gz FAPVSKGEIDBYKS-WFASDCNBSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C(C)[C@H](C)OC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602752573 1096363600 /nfs/dbraw/zinc/36/36/00/1096363600.db2.gz FAPVSKGEIDBYKS-WFASDCNBSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C(C)[C@H](CC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1)OCC ZINC001602754057 1096363927 /nfs/dbraw/zinc/36/39/27/1096363927.db2.gz YBZUEDKWIPFRRJ-AWEZNQCLSA-N -1 3 349.822 2.508 20 30 EFEDHM C=C(C)[C@H](CC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1)OCC ZINC001602754057 1096363934 /nfs/dbraw/zinc/36/39/34/1096363934.db2.gz YBZUEDKWIPFRRJ-AWEZNQCLSA-N -1 3 349.822 2.508 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2C)CC1 ZINC001602762428 1096365798 /nfs/dbraw/zinc/36/57/98/1096365798.db2.gz ONFFALLIKUCFGN-UHFFFAOYSA-N -1 3 331.416 2.855 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602773295 1096367492 /nfs/dbraw/zinc/36/74/92/1096367492.db2.gz TUQGQWFKSKBYNF-WQVCFCJDSA-N -1 3 338.415 2.820 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602773295 1096367498 /nfs/dbraw/zinc/36/74/98/1096367498.db2.gz TUQGQWFKSKBYNF-WQVCFCJDSA-N -1 3 338.415 2.820 20 30 EFEDHM C=C(CC)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001602767468 1096367565 /nfs/dbraw/zinc/36/75/65/1096367565.db2.gz HJPDZXODRFOHGM-UHFFFAOYSA-N -1 3 340.309 2.973 20 30 EFEDHM C=C(CC)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001602767468 1096367574 /nfs/dbraw/zinc/36/75/74/1096367574.db2.gz HJPDZXODRFOHGM-UHFFFAOYSA-N -1 3 340.309 2.973 20 30 EFEDHM C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602786947 1096370100 /nfs/dbraw/zinc/37/01/00/1096370100.db2.gz RKDZVIPUMRXRHF-GFCCVEGCSA-N -1 3 328.420 2.781 20 30 EFEDHM C=CC(C)(C)CNC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602786947 1096370109 /nfs/dbraw/zinc/37/01/09/1096370109.db2.gz RKDZVIPUMRXRHF-GFCCVEGCSA-N -1 3 328.420 2.781 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602786959 1096371062 /nfs/dbraw/zinc/37/10/62/1096371062.db2.gz RXEJQCPSKBMNAT-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=CC(C)(C)CCNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602786959 1096371071 /nfs/dbraw/zinc/37/10/71/1096371071.db2.gz RXEJQCPSKBMNAT-UHFFFAOYSA-N -1 3 328.420 2.610 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001602801821 1096372455 /nfs/dbraw/zinc/37/24/55/1096372455.db2.gz WWMNQRINKWTQAB-NEPJUHHUSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001602801821 1096372464 /nfs/dbraw/zinc/37/24/64/1096372464.db2.gz WWMNQRINKWTQAB-NEPJUHHUSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602803486 1096374403 /nfs/dbraw/zinc/37/44/03/1096374403.db2.gz MXOWPGILPYPWGL-SWLSCSKDSA-N -1 3 326.404 2.678 20 30 EFEDHM C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602803486 1096374409 /nfs/dbraw/zinc/37/44/09/1096374409.db2.gz MXOWPGILPYPWGL-SWLSCSKDSA-N -1 3 326.404 2.678 20 30 EFEDHM C=CCC1(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CCCCC1 ZINC001602818187 1096374821 /nfs/dbraw/zinc/37/48/21/1096374821.db2.gz GOBGWUBNWIJKKW-UHFFFAOYSA-N -1 3 346.822 2.924 20 30 EFEDHM C=CCC1(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CCCCC1 ZINC001602818187 1096374827 /nfs/dbraw/zinc/37/48/27/1096374827.db2.gz GOBGWUBNWIJKKW-UHFFFAOYSA-N -1 3 346.822 2.924 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001602811428 1096376558 /nfs/dbraw/zinc/37/65/58/1096376558.db2.gz MDEADVFAYVQLAY-CQSZACIVSA-N -1 3 328.420 2.756 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001602811428 1096376561 /nfs/dbraw/zinc/37/65/61/1096376561.db2.gz MDEADVFAYVQLAY-CQSZACIVSA-N -1 3 328.420 2.756 20 30 EFEDHM C=C[C@H](NCc1cccc(NC(=O)c2cccc(F)c2)c1)C(=O)[O-] ZINC001602819383 1096377209 /nfs/dbraw/zinc/37/72/09/1096377209.db2.gz UJGTYKBFYBQRIE-INIZCTEOSA-N -1 3 328.343 2.807 20 30 EFEDHM C=CCC[C@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)c1ccccc1 ZINC001602826606 1096377968 /nfs/dbraw/zinc/37/79/68/1096377968.db2.gz JGKVFHUFKURNPS-INIZCTEOSA-N -1 3 348.410 2.975 20 30 EFEDHM C=CCC[C@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)c1ccccc1 ZINC001602826606 1096377976 /nfs/dbraw/zinc/37/79/76/1096377976.db2.gz JGKVFHUFKURNPS-INIZCTEOSA-N -1 3 348.410 2.975 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602825272 1096378073 /nfs/dbraw/zinc/37/80/73/1096378073.db2.gz WUDSQHUVURCJNA-JSGCOSHPSA-N -1 3 341.419 2.827 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602825272 1096378081 /nfs/dbraw/zinc/37/80/81/1096378081.db2.gz WUDSQHUVURCJNA-JSGCOSHPSA-N -1 3 341.419 2.827 20 30 EFEDHM C=CC[C@@H]1CCCN(c2cc(-c3nnn[n-]3)c(Br)cn2)C1 ZINC001602824200 1096378155 /nfs/dbraw/zinc/37/81/55/1096378155.db2.gz OQUPNKACAIGAHU-SNVBAGLBSA-N -1 3 349.236 2.817 20 30 EFEDHM C=CC[C@@H]1CCCN(c2cc(-c3nn[n-]n3)c(Br)cn2)C1 ZINC001602824200 1096378157 /nfs/dbraw/zinc/37/81/57/1096378157.db2.gz OQUPNKACAIGAHU-SNVBAGLBSA-N -1 3 349.236 2.817 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001602833744 1096378902 /nfs/dbraw/zinc/37/89/02/1096378902.db2.gz UWRJJOWEXFTRKP-CQSZACIVSA-N -1 3 330.367 2.968 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001602833744 1096378907 /nfs/dbraw/zinc/37/89/07/1096378907.db2.gz UWRJJOWEXFTRKP-CQSZACIVSA-N -1 3 330.367 2.968 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602834334 1096379485 /nfs/dbraw/zinc/37/94/85/1096379485.db2.gz PRWUWEXUQXMZME-MLGOLLRUSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602834334 1096379490 /nfs/dbraw/zinc/37/94/90/1096379490.db2.gz PRWUWEXUQXMZME-MLGOLLRUSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CCCCCCCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001602834101 1096379985 /nfs/dbraw/zinc/37/99/85/1096379985.db2.gz GOKPSEVOQJCTKB-UHFFFAOYSA-N -1 3 349.460 2.672 20 30 EFEDHM C=CCCCCCCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001602834101 1096379995 /nfs/dbraw/zinc/37/99/95/1096379995.db2.gz GOKPSEVOQJCTKB-UHFFFAOYSA-N -1 3 349.460 2.672 20 30 EFEDHM C=CCCCCCNc1nn(-c2ccc(-c3nnn[n-]3)cn2)cc1C ZINC001602838414 1096380640 /nfs/dbraw/zinc/38/06/40/1096380640.db2.gz WRNVIJBKZUMZQN-UHFFFAOYSA-N -1 3 338.419 2.914 20 30 EFEDHM C=CCCCCCNc1nn(-c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC001602838414 1096380649 /nfs/dbraw/zinc/38/06/49/1096380649.db2.gz WRNVIJBKZUMZQN-UHFFFAOYSA-N -1 3 338.419 2.914 20 30 EFEDHM C=CCCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001602840326 1096380754 /nfs/dbraw/zinc/38/07/54/1096380754.db2.gz WOTPVHXPJGDCBV-UHFFFAOYSA-N -1 3 340.309 2.973 20 30 EFEDHM C=CCCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001602840326 1096380759 /nfs/dbraw/zinc/38/07/59/1096380759.db2.gz WOTPVHXPJGDCBV-UHFFFAOYSA-N -1 3 340.309 2.973 20 30 EFEDHM C=CCCCN(CC)C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001602839795 1096381108 /nfs/dbraw/zinc/38/11/08/1096381108.db2.gz HKRLPCOMRYBJQI-UHFFFAOYSA-N -1 3 335.358 2.773 20 30 EFEDHM C=CCCCN(CC)C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001602839795 1096381117 /nfs/dbraw/zinc/38/11/17/1096381117.db2.gz HKRLPCOMRYBJQI-UHFFFAOYSA-N -1 3 335.358 2.773 20 30 EFEDHM C=CCCCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001602837835 1096381172 /nfs/dbraw/zinc/38/11/72/1096381172.db2.gz IJHYJCMMLRCCNQ-UHFFFAOYSA-N -1 3 340.431 2.897 20 30 EFEDHM C=CCCCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001602837835 1096381179 /nfs/dbraw/zinc/38/11/79/1096381179.db2.gz IJHYJCMMLRCCNQ-UHFFFAOYSA-N -1 3 340.431 2.897 20 30 EFEDHM C=CC[C@H](C(=O)[O-])N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC001602835884 1096381505 /nfs/dbraw/zinc/38/15/05/1096381505.db2.gz YCZUWKPRQORINK-KGLIPLIRSA-N -1 3 327.327 2.691 20 30 EFEDHM C=CCCCCNC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602838422 1096381920 /nfs/dbraw/zinc/38/19/20/1096381920.db2.gz WUPDPWTWNHXBPI-OAHLLOKOSA-N -1 3 326.404 2.510 20 30 EFEDHM C=CCCCCNC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602838422 1096381926 /nfs/dbraw/zinc/38/19/26/1096381926.db2.gz WUPDPWTWNHXBPI-OAHLLOKOSA-N -1 3 326.404 2.510 20 30 EFEDHM C=CCCCS(=O)(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001602839744 1096382054 /nfs/dbraw/zinc/38/20/54/1096382054.db2.gz GENMBMIDLCPIDV-UHFFFAOYSA-N -1 3 347.444 2.522 20 30 EFEDHM C=CCCCS(=O)(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001602839744 1096382060 /nfs/dbraw/zinc/38/20/60/1096382060.db2.gz GENMBMIDLCPIDV-UHFFFAOYSA-N -1 3 347.444 2.522 20 30 EFEDHM C=CCN(CC=C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001602850911 1096384551 /nfs/dbraw/zinc/38/45/51/1096384551.db2.gz ZOEPSNOFAMAYNZ-UHFFFAOYSA-N -1 3 337.343 2.502 20 30 EFEDHM C=CCN(CC=C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001602850911 1096384559 /nfs/dbraw/zinc/38/45/59/1096384559.db2.gz ZOEPSNOFAMAYNZ-UHFFFAOYSA-N -1 3 337.343 2.502 20 30 EFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602852364 1096385999 /nfs/dbraw/zinc/38/59/99/1096385999.db2.gz PVUJBAGFHYPUSC-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602852364 1096386005 /nfs/dbraw/zinc/38/60/05/1096386005.db2.gz PVUJBAGFHYPUSC-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(C)CC1 ZINC001602856394 1096386455 /nfs/dbraw/zinc/38/64/55/1096386455.db2.gz HRCIFODXLUOPCO-UHFFFAOYSA-N -1 3 340.431 2.707 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(C)CC1 ZINC001602856394 1096386463 /nfs/dbraw/zinc/38/64/63/1096386463.db2.gz HRCIFODXLUOPCO-UHFFFAOYSA-N -1 3 340.431 2.707 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)cc1 ZINC001602858448 1096387428 /nfs/dbraw/zinc/38/74/28/1096387428.db2.gz QESOCNVHFAZCAT-UHFFFAOYSA-N -1 3 337.358 2.834 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)cc1 ZINC001602858448 1096387436 /nfs/dbraw/zinc/38/74/36/1096387436.db2.gz QESOCNVHFAZCAT-UHFFFAOYSA-N -1 3 337.358 2.834 20 30 EFEDHM C=CCN(Cc1ccccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001602859709 1096387613 /nfs/dbraw/zinc/38/76/13/1096387613.db2.gz GQDAAHDAFLKBRM-UHFFFAOYSA-N -1 3 337.358 2.834 20 30 EFEDHM C=CCN(Cc1ccccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001602859709 1096387623 /nfs/dbraw/zinc/38/76/23/1096387623.db2.gz GQDAAHDAFLKBRM-UHFFFAOYSA-N -1 3 337.358 2.834 20 30 EFEDHM C=CCCC[C@@H](C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)c1ccccc1 ZINC001602860581 1096388377 /nfs/dbraw/zinc/38/83/77/1096388377.db2.gz IFSRJRACBNUUHN-ZWKOTPCHSA-N -1 3 344.455 2.601 20 30 EFEDHM C=CCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccccc1 ZINC001602862734 1096389128 /nfs/dbraw/zinc/38/91/28/1096389128.db2.gz LUDWNBLYICBBPF-UHFFFAOYSA-N -1 3 331.383 2.707 20 30 EFEDHM C=CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccccc1 ZINC001602862734 1096389137 /nfs/dbraw/zinc/38/91/37/1096389137.db2.gz LUDWNBLYICBBPF-UHFFFAOYSA-N -1 3 331.383 2.707 20 30 EFEDHM C=CCOc1ccc(C=C2C(=O)Nc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001602869871 1096390566 /nfs/dbraw/zinc/39/05/66/1096390566.db2.gz FZRWASYTQMDMMA-YBEGLDIGSA-N -1 3 345.362 2.924 20 30 EFEDHM C=CCOc1ccc(C=C2C(=O)Nc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001602869871 1096390574 /nfs/dbraw/zinc/39/05/74/1096390574.db2.gz FZRWASYTQMDMMA-YBEGLDIGSA-N -1 3 345.362 2.924 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001602888599 1096393689 /nfs/dbraw/zinc/39/36/89/1096393689.db2.gz UEUMWZAGLFPRLO-ZANVPECISA-N -1 3 339.321 2.889 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001602888599 1096393696 /nfs/dbraw/zinc/39/36/96/1096393696.db2.gz UEUMWZAGLFPRLO-ZANVPECISA-N -1 3 339.321 2.889 20 30 EFEDHM CC(=NNC[C@H]1CCCC1(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602906184 1096395353 /nfs/dbraw/zinc/39/53/53/1096395353.db2.gz GUGXOPNXAIIXOX-LLVKDONJSA-N -1 3 338.337 2.755 20 30 EFEDHM CC(=NNC[C@H]1CCCC1(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602906184 1096395361 /nfs/dbraw/zinc/39/53/61/1096395361.db2.gz GUGXOPNXAIIXOX-LLVKDONJSA-N -1 3 338.337 2.755 20 30 EFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001602962565 1096408075 /nfs/dbraw/zinc/40/80/75/1096408075.db2.gz QQXNPHSGDWKPPQ-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001602962565 1096408079 /nfs/dbraw/zinc/40/80/79/1096408079.db2.gz QQXNPHSGDWKPPQ-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(F)c(C#N)c1 ZINC001602978900 1096413762 /nfs/dbraw/zinc/41/37/62/1096413762.db2.gz BGYNYNYQPTVKSU-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(F)c(C#N)c1 ZINC001602978900 1096413768 /nfs/dbraw/zinc/41/37/68/1096413768.db2.gz BGYNYNYQPTVKSU-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM C[C@@H](C#N)N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001602988092 1096416544 /nfs/dbraw/zinc/41/65/44/1096416544.db2.gz AJYRCNVVUOXQLM-LBPRGKRZSA-N -1 3 348.366 2.643 20 30 EFEDHM C[C@@H](C#N)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602988092 1096416549 /nfs/dbraw/zinc/41/65/49/1096416549.db2.gz AJYRCNVVUOXQLM-LBPRGKRZSA-N -1 3 348.366 2.643 20 30 EFEDHM CC(C)(C#N)CC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001603034744 1096422098 /nfs/dbraw/zinc/42/20/98/1096422098.db2.gz RJAGJBCRRSTCGL-UHFFFAOYSA-N -1 3 338.415 2.513 20 30 EFEDHM CC(C)(C#N)CC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001603034744 1096422099 /nfs/dbraw/zinc/42/20/99/1096422099.db2.gz RJAGJBCRRSTCGL-UHFFFAOYSA-N -1 3 338.415 2.513 20 30 EFEDHM CC(C)(C(=O)OCC1(C#N)CCC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603050540 1096424991 /nfs/dbraw/zinc/42/49/91/1096424991.db2.gz RFQRAHFMMIPUAA-UHFFFAOYSA-N -1 3 343.362 2.520 20 30 EFEDHM CC(C)(C(=O)OCC1(C#N)CCC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603050540 1096424997 /nfs/dbraw/zinc/42/49/97/1096424997.db2.gz RFQRAHFMMIPUAA-UHFFFAOYSA-N -1 3 343.362 2.520 20 30 EFEDHM CC(C)(CCC#N)CNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001603139851 1096458664 /nfs/dbraw/zinc/45/86/64/1096458664.db2.gz ZUJCRKCETOUHFS-UHFFFAOYSA-N -1 3 332.795 2.580 20 30 EFEDHM CC(C)(CCC#N)CNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001603139851 1096458669 /nfs/dbraw/zinc/45/86/69/1096458669.db2.gz ZUJCRKCETOUHFS-UHFFFAOYSA-N -1 3 332.795 2.580 20 30 EFEDHM CC(C)CN(Cc1ccncc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001603293764 1096497213 /nfs/dbraw/zinc/49/72/13/1096497213.db2.gz KJKJIVDVVPZANM-UHFFFAOYSA-N -1 3 333.399 2.796 20 30 EFEDHM CC(C)N(C)c1ccc(C=[NH+][N-]c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001603319475 1096504780 /nfs/dbraw/zinc/50/47/80/1096504780.db2.gz YTXPDCBNHIMUCQ-UHFFFAOYSA-N -1 3 336.403 2.552 20 30 EFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001603451136 1096531973 /nfs/dbraw/zinc/53/19/73/1096531973.db2.gz INLPBIOCVIWASO-LBPRGKRZSA-N -1 3 327.388 2.671 20 30 EFEDHM C[C@@H](CC(C)(C)C#N)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001603451136 1096531974 /nfs/dbraw/zinc/53/19/74/1096531974.db2.gz INLPBIOCVIWASO-LBPRGKRZSA-N -1 3 327.388 2.671 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001603577392 1096557457 /nfs/dbraw/zinc/55/74/57/1096557457.db2.gz HRPJMDGYJQUUMT-IVMMDQJWSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001603577392 1096557465 /nfs/dbraw/zinc/55/74/65/1096557465.db2.gz HRPJMDGYJQUUMT-IVMMDQJWSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)c1ccc(Cl)c(C#N)n1 ZINC001603733032 1096607534 /nfs/dbraw/zinc/60/75/34/1096607534.db2.gz UEKQSFLKZPEYGP-JTQLQIEISA-N -1 3 339.790 2.984 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)c1ccc(Cl)c(C#N)n1 ZINC001603733032 1096607542 /nfs/dbraw/zinc/60/75/42/1096607542.db2.gz UEKQSFLKZPEYGP-JTQLQIEISA-N -1 3 339.790 2.984 20 30 EFEDHM C[C@H](c1noc([C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC001603736174 1096609351 /nfs/dbraw/zinc/60/93/51/1096609351.db2.gz GMPIRXUXWKFDSI-IINYFYTJSA-N -1 3 335.371 2.613 20 30 EFEDHM C[C@H](c1noc([C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC001603736174 1096609355 /nfs/dbraw/zinc/60/93/55/1096609355.db2.gz GMPIRXUXWKFDSI-IINYFYTJSA-N -1 3 335.371 2.613 20 30 EFEDHM C[C@]1(C#N)CCCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001603736256 1096609919 /nfs/dbraw/zinc/60/99/19/1096609919.db2.gz JDWFAGWIFBDLKA-CQSZACIVSA-N -1 3 347.220 2.759 20 30 EFEDHM C[C@]1(C#N)CCCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001603736256 1096609923 /nfs/dbraw/zinc/60/99/23/1096609923.db2.gz JDWFAGWIFBDLKA-CQSZACIVSA-N -1 3 347.220 2.759 20 30 EFEDHM CC(C)CN(CCC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1C#N ZINC001603810769 1096634126 /nfs/dbraw/zinc/63/41/26/1096634126.db2.gz SHAZDLBHPCLRGQ-UHFFFAOYSA-N -1 3 337.807 2.583 20 30 EFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC001603879968 1096653461 /nfs/dbraw/zinc/65/34/61/1096653461.db2.gz CWZRKWXAOWGZDN-MGPLVRAMSA-N -1 3 344.806 2.722 20 30 EFEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC001603879968 1096653466 /nfs/dbraw/zinc/65/34/66/1096653466.db2.gz CWZRKWXAOWGZDN-MGPLVRAMSA-N -1 3 344.806 2.722 20 30 EFEDHM CCC(=O)c1cccc(-c2nnn[n-]2)c1OCc1ccc(C#N)s1 ZINC001603976441 1096685464 /nfs/dbraw/zinc/68/54/64/1096685464.db2.gz VEQVOJZRZXEHRE-UHFFFAOYSA-N -1 3 339.380 2.972 20 30 EFEDHM CCC(=O)c1cccc(-c2nn[n-]n2)c1OCc1ccc(C#N)s1 ZINC001603976441 1096685467 /nfs/dbraw/zinc/68/54/67/1096685467.db2.gz VEQVOJZRZXEHRE-UHFFFAOYSA-N -1 3 339.380 2.972 20 30 EFEDHM CCCCCCO[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001604177302 1096762742 /nfs/dbraw/zinc/76/27/42/1096762742.db2.gz SCRJZUXUHLQELQ-GFCCVEGCSA-N -1 3 342.403 2.662 20 30 EFEDHM CCCCCCO[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001604177302 1096762747 /nfs/dbraw/zinc/76/27/47/1096762747.db2.gz SCRJZUXUHLQELQ-GFCCVEGCSA-N -1 3 342.403 2.662 20 30 EFEDHM CCN(C(=O)CCCCC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001604257845 1096787710 /nfs/dbraw/zinc/78/77/10/1096787710.db2.gz GJACCWXBYNAVBT-CYBMUJFWSA-N -1 3 326.404 2.860 20 30 EFEDHM CCN(C(=O)CCCCC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001604257845 1096787715 /nfs/dbraw/zinc/78/77/15/1096787715.db2.gz GJACCWXBYNAVBT-CYBMUJFWSA-N -1 3 326.404 2.860 20 30 EFEDHM CCc1nnc(Nc2ccc(CCC#N)cc2)c(-c2nnn[n-]2)c1CC ZINC001604584440 1096908866 /nfs/dbraw/zinc/90/88/66/1096908866.db2.gz VOUDLRYMWJZHPU-UHFFFAOYSA-N -1 3 348.414 2.981 20 30 EFEDHM CCc1nnc(Nc2ccc(CCC#N)cc2)c(-c2nn[n-]n2)c1CC ZINC001604584440 1096908872 /nfs/dbraw/zinc/90/88/72/1096908872.db2.gz VOUDLRYMWJZHPU-UHFFFAOYSA-N -1 3 348.414 2.981 20 30 EFEDHM CCn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C)n1 ZINC001604605008 1096913007 /nfs/dbraw/zinc/91/30/07/1096913007.db2.gz ODRWMQKGLJUVAM-UKTHLTGXSA-N -1 3 334.383 2.604 20 30 EFEDHM CCn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C)n1 ZINC001604605008 1096913012 /nfs/dbraw/zinc/91/30/12/1096913012.db2.gz ODRWMQKGLJUVAM-UKTHLTGXSA-N -1 3 334.383 2.604 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC001604643105 1096921580 /nfs/dbraw/zinc/92/15/80/1096921580.db2.gz LQEOUWWPSXYUCN-RNCFNFMXSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC001604643105 1096921584 /nfs/dbraw/zinc/92/15/84/1096921584.db2.gz LQEOUWWPSXYUCN-RNCFNFMXSA-N -1 3 345.794 2.676 20 30 EFEDHM CN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001604650320 1096922790 /nfs/dbraw/zinc/92/27/90/1096922790.db2.gz GGJYWMJLRVCGCC-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001604650320 1096922796 /nfs/dbraw/zinc/92/27/96/1096922796.db2.gz GGJYWMJLRVCGCC-UHFFFAOYSA-N -1 3 344.787 2.730 20 30 EFEDHM CN(C)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001604700222 1096934722 /nfs/dbraw/zinc/93/47/22/1096934722.db2.gz DOIVRHURPSAAEQ-NTEUORMPSA-N -1 3 346.394 2.540 20 30 EFEDHM CN(C)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001604700222 1096934725 /nfs/dbraw/zinc/93/47/25/1096934725.db2.gz DOIVRHURPSAAEQ-NTEUORMPSA-N -1 3 346.394 2.540 20 30 EFEDHM CN(CC(C)(C)C#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001604713046 1096937640 /nfs/dbraw/zinc/93/76/40/1096937640.db2.gz VRQZRIIPWIEAKG-UHFFFAOYSA-N -1 3 333.783 2.534 20 30 EFEDHM CN(CC(C)(C)C#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001604713046 1096937645 /nfs/dbraw/zinc/93/76/45/1096937645.db2.gz VRQZRIIPWIEAKG-UHFFFAOYSA-N -1 3 333.783 2.534 20 30 EFEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)c1snc(Cl)c1C#N ZINC001604801376 1096960050 /nfs/dbraw/zinc/96/00/50/1096960050.db2.gz MTIJFVXGCBDQNL-UHFFFAOYSA-N -1 3 337.821 2.546 20 30 EFEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)c1snc(Cl)c1C#N ZINC001604801376 1096960054 /nfs/dbraw/zinc/96/00/54/1096960054.db2.gz MTIJFVXGCBDQNL-UHFFFAOYSA-N -1 3 337.821 2.546 20 30 EFEDHM COCc1cc(C#N)ccc1N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001605132912 1097030746 /nfs/dbraw/zinc/03/07/46/1097030746.db2.gz TUGIMBFPSWZDEN-UHFFFAOYSA-N -1 3 340.412 2.583 20 30 EFEDHM COCc1cc(C#N)ccc1N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001605132912 1097030752 /nfs/dbraw/zinc/03/07/52/1097030752.db2.gz TUGIMBFPSWZDEN-UHFFFAOYSA-N -1 3 340.412 2.583 20 30 EFEDHM COc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001605202084 1097049940 /nfs/dbraw/zinc/04/99/40/1097049940.db2.gz LHLYCZYHCMUVBA-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001605202084 1097049944 /nfs/dbraw/zinc/04/99/44/1097049944.db2.gz LHLYCZYHCMUVBA-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(C#N)c(F)c2)ccc1-c1nnn[n-]1 ZINC001605206040 1097051060 /nfs/dbraw/zinc/05/10/60/1097051060.db2.gz QFYCKPRNDMMMOX-XVNBXDOJSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(C#N)c(F)c2)ccc1-c1nn[n-]n1 ZINC001605206040 1097051066 /nfs/dbraw/zinc/05/10/66/1097051066.db2.gz QFYCKPRNDMMMOX-XVNBXDOJSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(C#N)cc2F)ccc1-c1nnn[n-]1 ZINC001605204688 1097051305 /nfs/dbraw/zinc/05/13/05/1097051305.db2.gz BZYAFWICANSJPB-QPJJXVBHSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(C#N)cc2F)ccc1-c1nn[n-]n1 ZINC001605204688 1097051310 /nfs/dbraw/zinc/05/13/10/1097051310.db2.gz BZYAFWICANSJPB-QPJJXVBHSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1C#N ZINC001605206133 1097051412 /nfs/dbraw/zinc/05/14/12/1097051412.db2.gz RRTKPIVVTKHSDN-CLTKARDFSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1C#N ZINC001605206133 1097051419 /nfs/dbraw/zinc/05/14/19/1097051419.db2.gz RRTKPIVVTKHSDN-CLTKARDFSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=NNCc2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC001605204866 1097051751 /nfs/dbraw/zinc/05/17/51/1097051751.db2.gz BNMDRVGPFVWBJS-UHFFFAOYSA-N -1 3 342.790 2.652 20 30 EFEDHM COc1cc(C=NNCc2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC001605204866 1097051756 /nfs/dbraw/zinc/05/17/56/1097051756.db2.gz BNMDRVGPFVWBJS-UHFFFAOYSA-N -1 3 342.790 2.652 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1C#N ZINC001605206188 1097051903 /nfs/dbraw/zinc/05/19/03/1097051903.db2.gz SJDNTWMMBBNZCB-CLTKARDFSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)ccc1C#N ZINC001605206188 1097051909 /nfs/dbraw/zinc/05/19/09/1097051909.db2.gz SJDNTWMMBBNZCB-CLTKARDFSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1cc(NN=Cc2ccccc2-c2nnn[n-]2)ccc1Cl ZINC001605230830 1097061068 /nfs/dbraw/zinc/06/10/68/1097061068.db2.gz ITCPYVPWTXLMSA-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM COc1cc(NN=Cc2ccccc2-c2nn[n-]n2)ccc1Cl ZINC001605230830 1097061074 /nfs/dbraw/zinc/06/10/74/1097061074.db2.gz ITCPYVPWTXLMSA-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001605304633 1097088775 /nfs/dbraw/zinc/08/87/75/1097088775.db2.gz HJIYSJIYXQHSCL-CLFYSBASSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc(OC)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605304633 1097088782 /nfs/dbraw/zinc/08/87/82/1097088782.db2.gz HJIYSJIYXQHSCL-CLFYSBASSA-N -1 3 336.351 2.780 20 30 EFEDHM COc1ccc2c(c1F)CC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC001605309300 1097089785 /nfs/dbraw/zinc/08/97/85/1097089785.db2.gz OIKDHKQSQXXDBJ-DHZHZOJOSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1ccc2c(c1F)CC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC001605309300 1097089791 /nfs/dbraw/zinc/08/97/91/1097089791.db2.gz OIKDHKQSQXXDBJ-DHZHZOJOSA-N -1 3 336.326 2.837 20 30 EFEDHM Cc1c(NC(=O)[C@H](CC#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC001605494280 1097136946 /nfs/dbraw/zinc/13/69/46/1097136946.db2.gz MAXZGOFLLMUBNS-OAHLLOKOSA-N -1 3 332.367 2.811 20 30 EFEDHM Cc1c(NC(=O)[C@H](CC#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC001605494280 1097136952 /nfs/dbraw/zinc/13/69/52/1097136952.db2.gz MAXZGOFLLMUBNS-OAHLLOKOSA-N -1 3 332.367 2.811 20 30 EFEDHM Cc1cc(CN=Nc2nncc3ccccc32)ccc1-c1nnn[n-]1 ZINC001605652041 1097180271 /nfs/dbraw/zinc/18/02/71/1097180271.db2.gz CCYCLVWSAASHMS-UHFFFAOYSA-N -1 3 330.355 2.564 20 30 EFEDHM Cc1cc(CN=Nc2nncc3ccccc32)ccc1-c1nn[n-]n1 ZINC001605652041 1097180276 /nfs/dbraw/zinc/18/02/76/1097180276.db2.gz CCYCLVWSAASHMS-UHFFFAOYSA-N -1 3 330.355 2.564 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001605676693 1097192046 /nfs/dbraw/zinc/19/20/46/1097192046.db2.gz YMJUEFKDUBXREK-KRWDZBQOSA-N -1 3 340.362 2.727 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC001605676693 1097192049 /nfs/dbraw/zinc/19/20/49/1097192049.db2.gz YMJUEFKDUBXREK-KRWDZBQOSA-N -1 3 340.362 2.727 20 30 EFEDHM Cc1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc(-c2nnn[n-]2)c1 ZINC001605716259 1097205923 /nfs/dbraw/zinc/20/59/23/1097205923.db2.gz GVGLIDIOITWCRB-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(NC(=O)c2cc(F)c(C#N)c(F)c2)cc(-c2nn[n-]n2)c1 ZINC001605716259 1097205926 /nfs/dbraw/zinc/20/59/26/1097205926.db2.gz GVGLIDIOITWCRB-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(OC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)ccc1C#N ZINC001605745524 1097213827 /nfs/dbraw/zinc/21/38/27/1097213827.db2.gz CYEMHLXKOWEJPS-UHFFFAOYSA-N -1 3 339.742 2.919 20 30 EFEDHM Cc1cc(OC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)ccc1C#N ZINC001605745524 1097213830 /nfs/dbraw/zinc/21/38/30/1097213830.db2.gz CYEMHLXKOWEJPS-UHFFFAOYSA-N -1 3 339.742 2.919 20 30 EFEDHM Cc1cc(OC(=O)c2sccc2CC#N)ccc1-c1nnn[n-]1 ZINC001605746921 1097213954 /nfs/dbraw/zinc/21/39/54/1097213954.db2.gz ZNAONPPTVHFWQP-UHFFFAOYSA-N -1 3 325.353 2.522 20 30 EFEDHM Cc1cc(OC(=O)c2sccc2CC#N)ccc1-c1nn[n-]n1 ZINC001605746921 1097213957 /nfs/dbraw/zinc/21/39/57/1097213957.db2.gz ZNAONPPTVHFWQP-UHFFFAOYSA-N -1 3 325.353 2.522 20 30 EFEDHM Cc1cc(OC(=O)c2ccc(C#N)c(C)n2)c(C)c(C)c1-c1nn[n-]n1 ZINC001605745633 1097214495 /nfs/dbraw/zinc/21/44/95/1097214495.db2.gz JYBJPULVZUIHRG-UHFFFAOYSA-N -1 3 348.366 2.586 20 30 EFEDHM Cc1cc(OC(=O)[C@]2(C#N)CC3CCC2CC3)ccc1-c1nnn[n-]1 ZINC001605745450 1097214519 /nfs/dbraw/zinc/21/45/19/1097214519.db2.gz ZUJFLBNAIYFKPM-KJBLDROHSA-N -1 3 337.383 2.801 20 30 EFEDHM Cc1cc(OC(=O)[C@]2(C#N)CC3CCC2CC3)ccc1-c1nn[n-]n1 ZINC001605745450 1097214522 /nfs/dbraw/zinc/21/45/22/1097214522.db2.gz ZUJFLBNAIYFKPM-KJBLDROHSA-N -1 3 337.383 2.801 20 30 EFEDHM Cc1ccc(-c2noc([C@@H](C#N)Cc3ccc(-c4nnn[n-]4)cc3)n2)o1 ZINC001605805443 1097232470 /nfs/dbraw/zinc/23/24/70/1097232470.db2.gz UDUVJTSUYMQBJD-CYBMUJFWSA-N -1 3 347.338 2.668 20 30 EFEDHM Cc1ccc(-c2noc([C@@H](C#N)Cc3ccc(-c4nn[n-]n4)cc3)n2)o1 ZINC001605805443 1097232473 /nfs/dbraw/zinc/23/24/73/1097232473.db2.gz UDUVJTSUYMQBJD-CYBMUJFWSA-N -1 3 347.338 2.668 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1-c1nnn[n-]1 ZINC001605824268 1097238758 /nfs/dbraw/zinc/23/87/58/1097238758.db2.gz UVULYJJNZAKZMA-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccc(Cl)cc2C#N)cc1-c1nn[n-]n1 ZINC001605824268 1097238762 /nfs/dbraw/zinc/23/87/62/1097238762.db2.gz UVULYJJNZAKZMA-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)cn2c1 ZINC001605893652 1097268804 /nfs/dbraw/zinc/26/88/04/1097268804.db2.gz JHOKSPVVNFPOTD-XQRVVYSFSA-N -1 3 348.341 2.858 20 30 EFEDHM Cc1ccc2nc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)cn2c1 ZINC001605893652 1097268808 /nfs/dbraw/zinc/26/88/08/1097268808.db2.gz JHOKSPVVNFPOTD-XQRVVYSFSA-N -1 3 348.341 2.858 20 30 EFEDHM Cc1nc(F)ccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC001606044982 1097305979 /nfs/dbraw/zinc/30/59/79/1097305979.db2.gz VVOBEOXGKVKYIY-JYRVWZFOSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1nc(F)ccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC001606044982 1097305986 /nfs/dbraw/zinc/30/59/86/1097305986.db2.gz VVOBEOXGKVKYIY-JYRVWZFOSA-N -1 3 335.342 2.922 20 30 EFEDHM C=CCCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000729072656 1097333518 /nfs/dbraw/zinc/33/35/18/1097333518.db2.gz RUEBWWUDPOOURA-UHFFFAOYSA-N -1 3 329.393 2.635 20 30 EFEDHM Cc1sc(NC(=O)c2cscc2-c2nnn[n-]2)c(C#N)c1C ZINC001606182955 1097339763 /nfs/dbraw/zinc/33/97/63/1097339763.db2.gz KFCFMYZIZHASIH-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Cc1sc(NC(=O)c2cscc2-c2nn[n-]n2)c(C#N)c1C ZINC001606182955 1097339768 /nfs/dbraw/zinc/33/97/68/1097339768.db2.gz KFCFMYZIZHASIH-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Clc1cccc(C#CCN2CCc3c2cccc3-c2nnn[n-]2)c1 ZINC001606194393 1097347087 /nfs/dbraw/zinc/34/70/87/1097347087.db2.gz MQTIWCDLGOECTO-UHFFFAOYSA-N -1 3 335.798 2.934 20 30 EFEDHM Clc1cccc(C#CCN2CCc3c2cccc3-c2nn[n-]n2)c1 ZINC001606194393 1097347092 /nfs/dbraw/zinc/34/70/92/1097347092.db2.gz MQTIWCDLGOECTO-UHFFFAOYSA-N -1 3 335.798 2.934 20 30 EFEDHM FC(F)(F)c1cc(NNC=C2CC2(F)F)ccc1-c1nn[n-]n1 ZINC001606292437 1097362117 /nfs/dbraw/zinc/36/21/17/1097362117.db2.gz UGDVJZWTNAUVFE-LURJTMIESA-N -1 3 332.236 2.938 20 30 EFEDHM FC(F)(F)c1cc(N=NC[C@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001606291797 1097362752 /nfs/dbraw/zinc/36/27/52/1097362752.db2.gz DOKZEVBORFAIES-SECBINFHSA-N -1 3 340.309 2.710 20 30 EFEDHM FC(F)(F)c1cc(N=NC[C@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001606291797 1097362757 /nfs/dbraw/zinc/36/27/57/1097362757.db2.gz DOKZEVBORFAIES-SECBINFHSA-N -1 3 340.309 2.710 20 30 EFEDHM FC1(F)CCC[C@@H]1CNN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001606300474 1097366585 /nfs/dbraw/zinc/36/65/85/1097366585.db2.gz VQFJUQCIUWZBOQ-GFCCVEGCSA-N -1 3 332.358 2.542 20 30 EFEDHM FC1(F)CCC[C@@H]1CNN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001606300474 1097366591 /nfs/dbraw/zinc/36/65/91/1097366591.db2.gz VQFJUQCIUWZBOQ-GFCCVEGCSA-N -1 3 332.358 2.542 20 30 EFEDHM C=C(Cl)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1ccccc1[O-] ZINC001075670887 1097372594 /nfs/dbraw/zinc/37/25/94/1097372594.db2.gz OMOHKVWHAZCFOR-NSHDSACASA-N -1 3 338.835 2.796 20 30 EFEDHM N#CC1(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CC2(CC2)C1 ZINC001606340238 1097387705 /nfs/dbraw/zinc/38/77/05/1097387705.db2.gz HMZVDSOEGODUGD-UHFFFAOYSA-N -1 3 334.383 2.767 20 30 EFEDHM N#CC1(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CC2(CC2)C1 ZINC001606340238 1097387708 /nfs/dbraw/zinc/38/77/08/1097387708.db2.gz HMZVDSOEGODUGD-UHFFFAOYSA-N -1 3 334.383 2.767 20 30 EFEDHM N#CCc1cccc(NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c1 ZINC001606351508 1097391491 /nfs/dbraw/zinc/39/14/91/1097391491.db2.gz MIGZIIRRINGEGG-UHFFFAOYSA-N -1 3 343.350 2.666 20 30 EFEDHM N#Cc1c(CSc2ccncc2-c2nnn[n-]2)cn2ccccc12 ZINC001606356127 1097392319 /nfs/dbraw/zinc/39/23/19/1097392319.db2.gz KASSIIJHVGJVRK-UHFFFAOYSA-N -1 3 333.380 2.678 20 30 EFEDHM N#Cc1c(CSc2ccncc2-c2nn[n-]n2)cn2ccccc12 ZINC001606356127 1097392323 /nfs/dbraw/zinc/39/23/23/1097392323.db2.gz KASSIIJHVGJVRK-UHFFFAOYSA-N -1 3 333.380 2.678 20 30 EFEDHM N#Cc1cc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cs1 ZINC001606361514 1097392367 /nfs/dbraw/zinc/39/23/67/1097392367.db2.gz HWXMBUVSWRTYLJ-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM N#Cc1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cs1 ZINC001606361514 1097392369 /nfs/dbraw/zinc/39/23/69/1097392369.db2.gz HWXMBUVSWRTYLJ-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC001606361055 1097392428 /nfs/dbraw/zinc/39/24/28/1097392428.db2.gz CRUIONGJSWBUED-LSDHHAIUSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC001606361055 1097392431 /nfs/dbraw/zinc/39/24/31/1097392431.db2.gz CRUIONGJSWBUED-LSDHHAIUSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1cc(F)cc(OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC001606361940 1097392486 /nfs/dbraw/zinc/39/24/86/1097392486.db2.gz RIUDTAYXSQQADR-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1cc(F)cc(OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC001606361940 1097392490 /nfs/dbraw/zinc/39/24/90/1097392490.db2.gz RIUDTAYXSQQADR-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1cc(C(=O)Nc2cc3ccccc3cc2-c2nnn[n-]2)co1 ZINC001606360652 1097392496 /nfs/dbraw/zinc/39/24/96/1097392496.db2.gz ZHQMOEHDDPHSEH-UHFFFAOYSA-N -1 3 330.307 2.737 20 30 EFEDHM N#Cc1cc(C(=O)Nc2cc3ccccc3cc2-c2nn[n-]n2)co1 ZINC001606360652 1097392500 /nfs/dbraw/zinc/39/25/00/1097392500.db2.gz ZHQMOEHDDPHSEH-UHFFFAOYSA-N -1 3 330.307 2.737 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001606354326 1097392894 /nfs/dbraw/zinc/39/28/94/1097392894.db2.gz FVRMKRLGRIVJOX-DTWKUNHWSA-N -1 3 333.193 2.733 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001606354326 1097392899 /nfs/dbraw/zinc/39/28/99/1097392899.db2.gz FVRMKRLGRIVJOX-DTWKUNHWSA-N -1 3 333.193 2.733 20 30 EFEDHM N#Cc1cc(NC(=O)c2cscc2Cl)ccc1-c1nnn[n-]1 ZINC001606361557 1097392997 /nfs/dbraw/zinc/39/29/97/1097392997.db2.gz TWKBBDIVSNPWCN-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)c2cscc2Cl)ccc1-c1nn[n-]n1 ZINC001606361557 1097393003 /nfs/dbraw/zinc/39/30/03/1097393003.db2.gz TWKBBDIVSNPWCN-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cc(NC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)ccc1F ZINC001606361327 1097393015 /nfs/dbraw/zinc/39/30/15/1097393015.db2.gz NAPZEJVNLQJYGP-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cc(NC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)ccc1F ZINC001606361327 1097393022 /nfs/dbraw/zinc/39/30/22/1097393022.db2.gz NAPZEJVNLQJYGP-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC001606367328 1097393850 /nfs/dbraw/zinc/39/38/50/1097393850.db2.gz DSSFCVXUZYTGKC-UHFFFAOYSA-N -1 3 345.771 2.810 20 30 EFEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC001606367328 1097393857 /nfs/dbraw/zinc/39/38/57/1097393857.db2.gz DSSFCVXUZYTGKC-UHFFFAOYSA-N -1 3 345.771 2.810 20 30 EFEDHM N#Cc1ccc(NC(=O)C2CCC(C3CC3)CC2)cc1-c1nnn[n-]1 ZINC001606372497 1097394179 /nfs/dbraw/zinc/39/41/79/1097394179.db2.gz DYLSDYGDMJSGHQ-UHFFFAOYSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc(NC(=O)C2CCC(C3CC3)CC2)cc1-c1nn[n-]n1 ZINC001606372497 1097394183 /nfs/dbraw/zinc/39/41/83/1097394183.db2.gz DYLSDYGDMJSGHQ-UHFFFAOYSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ncc1Br ZINC001606363818 1097394257 /nfs/dbraw/zinc/39/42/57/1097394257.db2.gz PJCUVNZYHSBQIP-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1cc(Sc2ccc(-c3nnn[n-]3)cc2F)nc(C2CC2)n1 ZINC001606363878 1097394483 /nfs/dbraw/zinc/39/44/83/1097394483.db2.gz SWEKSJCYUHSADD-UHFFFAOYSA-N -1 3 339.359 2.696 20 30 EFEDHM N#Cc1cc(Sc2ccc(-c3nn[n-]n3)cc2F)nc(C2CC2)n1 ZINC001606363878 1097394485 /nfs/dbraw/zinc/39/44/85/1097394485.db2.gz SWEKSJCYUHSADD-UHFFFAOYSA-N -1 3 339.359 2.696 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCCc1nc2ccccc2[nH]1 ZINC001606379753 1097395310 /nfs/dbraw/zinc/39/53/10/1097395310.db2.gz LPCBIQAEIVIJML-UHFFFAOYSA-N -1 3 344.382 2.659 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCc1nc2ccccc2[nH]1 ZINC001606379753 1097395317 /nfs/dbraw/zinc/39/53/17/1097395317.db2.gz LPCBIQAEIVIJML-UHFFFAOYSA-N -1 3 344.382 2.659 20 30 EFEDHM N#Cc1ccc(OC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC001606379179 1097395361 /nfs/dbraw/zinc/39/53/61/1097395361.db2.gz FWRQUWCSQDSSLB-UHFFFAOYSA-N -1 3 325.715 2.611 20 30 EFEDHM N#Cc1ccc(OC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC001606379179 1097395365 /nfs/dbraw/zinc/39/53/65/1097395365.db2.gz FWRQUWCSQDSSLB-UHFFFAOYSA-N -1 3 325.715 2.611 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cc(Cl)cc(C=O)c1 ZINC001606380349 1097397056 /nfs/dbraw/zinc/39/70/56/1097397056.db2.gz VFFCSUKOMMYVMC-UHFFFAOYSA-N -1 3 325.715 2.997 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cc(Cl)cc(C=O)c1 ZINC001606380349 1097397060 /nfs/dbraw/zinc/39/70/60/1097397060.db2.gz VFFCSUKOMMYVMC-UHFFFAOYSA-N -1 3 325.715 2.997 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Sc1nc2cnccc2s1 ZINC001606379785 1097397223 /nfs/dbraw/zinc/39/72/23/1097397223.db2.gz BLFASEWKNUXMSQ-UHFFFAOYSA-N -1 3 337.393 2.894 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Sc1nc2cnccc2s1 ZINC001606379785 1097397226 /nfs/dbraw/zinc/39/72/26/1097397226.db2.gz BLFASEWKNUXMSQ-UHFFFAOYSA-N -1 3 337.393 2.894 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1cccnc1Br ZINC001606379756 1097397372 /nfs/dbraw/zinc/39/73/72/1097397372.db2.gz ALZNYEHMMAFKGO-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1cccnc1Br ZINC001606379756 1097397378 /nfs/dbraw/zinc/39/73/78/1097397378.db2.gz ALZNYEHMMAFKGO-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1cnc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC001606389624 1097398860 /nfs/dbraw/zinc/39/88/60/1097398860.db2.gz CCDNVVBQHUBSPB-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM N#Cc1cnc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC001606389624 1097398865 /nfs/dbraw/zinc/39/88/65/1097398865.db2.gz CCDNVVBQHUBSPB-UHFFFAOYSA-N -1 3 329.726 2.538 20 30 EFEDHM N#Cc1cccc2c1CN(CCCOc1cccc(-c3nnn[n-]3)c1)C2 ZINC001606385317 1097398872 /nfs/dbraw/zinc/39/88/72/1097398872.db2.gz VBZBSAZZAXCKFX-UHFFFAOYSA-N -1 3 346.394 2.523 20 30 EFEDHM N#Cc1cccc2c1CN(CCCOc1cccc(-c3nn[n-]n3)c1)C2 ZINC001606385317 1097398876 /nfs/dbraw/zinc/39/88/76/1097398876.db2.gz VBZBSAZZAXCKFX-UHFFFAOYSA-N -1 3 346.394 2.523 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482576 1097405256 /nfs/dbraw/zinc/40/52/56/1097405256.db2.gz PRYLTBDXSGDHFA-BAQGIRSFSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482576 1097405259 /nfs/dbraw/zinc/40/52/59/1097405259.db2.gz PRYLTBDXSGDHFA-BAQGIRSFSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)Oc2cc(F)cc(F)c21 ZINC001607036832 1097501064 /nfs/dbraw/zinc/50/10/64/1097501064.db2.gz NRNMZPARTUXCCQ-PQMHYQBVSA-N -1 3 344.252 2.900 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)Oc2cc(F)cc(F)c21 ZINC001607036832 1097501067 /nfs/dbraw/zinc/50/10/67/1097501067.db2.gz NRNMZPARTUXCCQ-PQMHYQBVSA-N -1 3 344.252 2.900 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2)Oc2cc(F)cc(F)c21 ZINC001607036335 1097502179 /nfs/dbraw/zinc/50/21/79/1097502179.db2.gz GXNCXCQBQYCEIF-WLRTZDKTSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2)Oc2cc(F)cc(F)c21 ZINC001607036335 1097502184 /nfs/dbraw/zinc/50/21/84/1097502184.db2.gz GXNCXCQBQYCEIF-WLRTZDKTSA-N -1 3 326.262 2.761 20 30 EFEDHM COc1cc(CN2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)ccc1C#N ZINC001607158163 1097546419 /nfs/dbraw/zinc/54/64/19/1097546419.db2.gz VOKWCCMSJGEJMW-CYBMUJFWSA-N -1 3 343.408 2.711 20 30 EFEDHM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001608204354 1097862448 /nfs/dbraw/zinc/86/24/48/1097862448.db2.gz CWMXLZXLDREHBC-ILXRZTDVSA-N -1 3 329.356 2.542 20 30 EFEDHM O=C([O-])[C@]12C[C@H]1CCCN2CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001608824778 1098033465 /nfs/dbraw/zinc/03/34/65/1098033465.db2.gz GGPJSUYHWZIOGI-CJNGLKHVSA-N -1 3 339.313 2.876 20 30 EFEDHM C#C[C@@H](CCC)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001609019031 1098112988 /nfs/dbraw/zinc/11/29/88/1098112988.db2.gz LBUGJIVFCDHGSR-ZDUSSCGKSA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@@H](CCC)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001609019031 1098112992 /nfs/dbraw/zinc/11/29/92/1098112992.db2.gz LBUGJIVFCDHGSR-ZDUSSCGKSA-N -1 3 342.403 2.577 20 30 EFEDHM C#CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)CCCCC1 ZINC001609019886 1098113063 /nfs/dbraw/zinc/11/30/63/1098113063.db2.gz KAWGGMLNBJPSKC-UHFFFAOYSA-N -1 3 340.383 2.755 20 30 EFEDHM C#CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)CCCCC1 ZINC001609019886 1098113066 /nfs/dbraw/zinc/11/30/66/1098113066.db2.gz KAWGGMLNBJPSKC-UHFFFAOYSA-N -1 3 340.383 2.755 20 30 EFEDHM C#CCN(C)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001609020685 1098113421 /nfs/dbraw/zinc/11/34/21/1098113421.db2.gz BWMNVNANFGXHHK-UHFFFAOYSA-N -1 3 348.366 2.756 20 30 EFEDHM C#CCN(C)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001609020685 1098113424 /nfs/dbraw/zinc/11/34/24/1098113424.db2.gz BWMNVNANFGXHHK-UHFFFAOYSA-N -1 3 348.366 2.756 20 30 EFEDHM C#Cc1ccccc1CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609022111 1098114239 /nfs/dbraw/zinc/11/42/39/1098114239.db2.gz WXDRIDFZVAOULW-CYBMUJFWSA-N -1 3 332.363 2.695 20 30 EFEDHM C#Cc1ccccc1CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609022111 1098114244 /nfs/dbraw/zinc/11/42/44/1098114244.db2.gz WXDRIDFZVAOULW-CYBMUJFWSA-N -1 3 332.363 2.695 20 30 EFEDHM C=C(C)CNN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001609051477 1098121595 /nfs/dbraw/zinc/12/15/95/1098121595.db2.gz BQYMMWNMMNIOPT-UHFFFAOYSA-N -1 3 348.410 2.945 20 30 EFEDHM C=C(C)CNN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001609051477 1098121597 /nfs/dbraw/zinc/12/15/97/1098121597.db2.gz BQYMMWNMMNIOPT-UHFFFAOYSA-N -1 3 348.410 2.945 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001609051448 1098121774 /nfs/dbraw/zinc/12/17/74/1098121774.db2.gz ZXIZPGHPVIMJCT-LLVKDONJSA-N -1 3 326.404 2.982 20 30 EFEDHM C=C(C)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC001609051764 1098121866 /nfs/dbraw/zinc/12/18/66/1098121866.db2.gz SWEQJJUWHHOZFB-UHFFFAOYSA-N -1 3 335.367 2.965 20 30 EFEDHM C=C(C)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC001609051764 1098121872 /nfs/dbraw/zinc/12/18/72/1098121872.db2.gz SWEQJJUWHHOZFB-UHFFFAOYSA-N -1 3 335.367 2.965 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001609051370 1098121949 /nfs/dbraw/zinc/12/19/49/1098121949.db2.gz XFUIGYJLIQVPJO-CZUORRHYSA-N -1 3 340.431 2.534 20 30 EFEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001609051370 1098121954 /nfs/dbraw/zinc/12/19/54/1098121954.db2.gz XFUIGYJLIQVPJO-CZUORRHYSA-N -1 3 340.431 2.534 20 30 EFEDHM C=C(C)CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC001609051510 1098122077 /nfs/dbraw/zinc/12/20/77/1098122077.db2.gz DJJWAPSRNGFWJK-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM C=C(C)CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC001609051510 1098122082 /nfs/dbraw/zinc/12/20/82/1098122082.db2.gz DJJWAPSRNGFWJK-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC001609054095 1098122676 /nfs/dbraw/zinc/12/26/76/1098122676.db2.gz YXJMDFFYHRPNGM-UHFFFAOYSA-N -1 3 327.360 2.949 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC001609054095 1098122681 /nfs/dbraw/zinc/12/26/81/1098122681.db2.gz YXJMDFFYHRPNGM-UHFFFAOYSA-N -1 3 327.360 2.949 20 30 EFEDHM C=C(CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001609052234 1098122845 /nfs/dbraw/zinc/12/28/45/1098122845.db2.gz SQROQHMKVDQGAU-UHFFFAOYSA-N -1 3 338.346 2.841 20 30 EFEDHM C=C(CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609052234 1098122847 /nfs/dbraw/zinc/12/28/47/1098122847.db2.gz SQROQHMKVDQGAU-UHFFFAOYSA-N -1 3 338.346 2.841 20 30 EFEDHM C=CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)CCCC1 ZINC001609053129 1098123093 /nfs/dbraw/zinc/12/30/93/1098123093.db2.gz DPNYYXWGEKZUNV-UHFFFAOYSA-N -1 3 328.372 2.917 20 30 EFEDHM C=CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)CCCC1 ZINC001609053129 1098123097 /nfs/dbraw/zinc/12/30/97/1098123097.db2.gz DPNYYXWGEKZUNV-UHFFFAOYSA-N -1 3 328.372 2.917 20 30 EFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001609053473 1098123129 /nfs/dbraw/zinc/12/31/29/1098123129.db2.gz JXMPOXIOTZNMQZ-UHFFFAOYSA-N -1 3 349.460 2.542 20 30 EFEDHM C=CCCCCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001609053473 1098123132 /nfs/dbraw/zinc/12/31/32/1098123132.db2.gz JXMPOXIOTZNMQZ-UHFFFAOYSA-N -1 3 349.460 2.542 20 30 EFEDHM C=CCCCS(=O)(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609054631 1098123325 /nfs/dbraw/zinc/12/33/25/1098123325.db2.gz DWBFALHVJVRVHY-UHFFFAOYSA-N -1 3 349.460 2.625 20 30 EFEDHM C=CCC[C@@H](CO)Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001609054110 1098123570 /nfs/dbraw/zinc/12/35/70/1098123570.db2.gz ZGPYZSPXPHXUMN-JTQLQIEISA-N -1 3 327.310 2.625 20 30 EFEDHM C=CCC[C@@H](CO)Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609054110 1098123575 /nfs/dbraw/zinc/12/35/75/1098123575.db2.gz ZGPYZSPXPHXUMN-JTQLQIEISA-N -1 3 327.310 2.625 20 30 EFEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N(C)Cc2ccc(C#N)cc2)c1 ZINC001609065671 1098127300 /nfs/dbraw/zinc/12/73/00/1098127300.db2.gz VKBQVYFSFXAMMA-UHFFFAOYSA-N -1 3 332.367 2.577 20 30 EFEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N(C)Cc2ccc(C#N)cc2)c1 ZINC001609065671 1098127303 /nfs/dbraw/zinc/12/73/03/1098127303.db2.gz VKBQVYFSFXAMMA-UHFFFAOYSA-N -1 3 332.367 2.577 20 30 EFEDHM C[C@@H](C#N)N(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001609068612 1098130576 /nfs/dbraw/zinc/13/05/76/1098130576.db2.gz UPDLZFVCZHKXJM-LBPRGKRZSA-N -1 3 332.367 2.518 20 30 EFEDHM C[C@@H](C#N)N(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001609068612 1098130579 /nfs/dbraw/zinc/13/05/79/1098130579.db2.gz UPDLZFVCZHKXJM-LBPRGKRZSA-N -1 3 332.367 2.518 20 30 EFEDHM CC(C)(C#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001609072075 1098131047 /nfs/dbraw/zinc/13/10/47/1098131047.db2.gz BHXRLFYAYXKHEY-UHFFFAOYSA-N -1 3 349.354 2.542 20 30 EFEDHM C[C@H](C#N)N(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001609068611 1098131163 /nfs/dbraw/zinc/13/11/63/1098131163.db2.gz UPDLZFVCZHKXJM-GFCCVEGCSA-N -1 3 332.367 2.518 20 30 EFEDHM C[C@H](C#N)N(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001609068611 1098131165 /nfs/dbraw/zinc/13/11/65/1098131165.db2.gz UPDLZFVCZHKXJM-GFCCVEGCSA-N -1 3 332.367 2.518 20 30 EFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cscc1C#N ZINC001609082519 1098134863 /nfs/dbraw/zinc/13/48/63/1098134863.db2.gz KUURHBNVNSQDLV-UHFFFAOYSA-N -1 3 341.400 2.609 20 30 EFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cscc1C#N ZINC001609082519 1098134866 /nfs/dbraw/zinc/13/48/66/1098134866.db2.gz KUURHBNVNSQDLV-UHFFFAOYSA-N -1 3 341.400 2.609 20 30 EFEDHM C#CC[C@H](NCc1cc(Cl)ccc1OCc1cccnc1)C(=O)[O-] ZINC001609089061 1098138460 /nfs/dbraw/zinc/13/84/60/1098138460.db2.gz CNORYXVEAUGTKX-INIZCTEOSA-N -1 3 344.798 2.880 20 30 EFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609102782 1098146397 /nfs/dbraw/zinc/14/63/97/1098146397.db2.gz RNGLAPLUCQRLID-UHFFFAOYSA-N -1 3 348.366 2.778 20 30 EFEDHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609102782 1098146400 /nfs/dbraw/zinc/14/64/00/1098146400.db2.gz RNGLAPLUCQRLID-UHFFFAOYSA-N -1 3 348.366 2.778 20 30 EFEDHM C[C@@H](CC#N)N(C)c1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001609108429 1098148739 /nfs/dbraw/zinc/14/87/39/1098148739.db2.gz NXFBZBNTLBTCSU-ZETCQYMHSA-N -1 3 339.172 2.507 20 30 EFEDHM C[C@@H](CC#N)N(C)c1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001609108429 1098148743 /nfs/dbraw/zinc/14/87/43/1098148743.db2.gz NXFBZBNTLBTCSU-ZETCQYMHSA-N -1 3 339.172 2.507 20 30 EFEDHM C[C@H](NN=Cc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001609125601 1098158554 /nfs/dbraw/zinc/15/85/54/1098158554.db2.gz HHQGMYUDTSXIQJ-JTQLQIEISA-N -1 3 328.326 2.830 20 30 EFEDHM C[C@H](NN=Cc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001609125601 1098158555 /nfs/dbraw/zinc/15/85/55/1098158555.db2.gz HHQGMYUDTSXIQJ-JTQLQIEISA-N -1 3 328.326 2.830 20 30 EFEDHM C=C(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])cc1 ZINC001269482583 1098175064 /nfs/dbraw/zinc/17/50/64/1098175064.db2.gz DFMUTCZQSKFWFO-LJQANCHMSA-N -1 3 328.412 2.566 20 30 EFEDHM C[C@H]1CCCC[C@H]1OCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609165231 1098179914 /nfs/dbraw/zinc/17/99/14/1098179914.db2.gz HKLFSKUATSXFPN-SWLSCSKDSA-N -1 3 326.404 2.746 20 30 EFEDHM C[C@H]1CCCC[C@H]1OCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609165231 1098179917 /nfs/dbraw/zinc/17/99/17/1098179917.db2.gz HKLFSKUATSXFPN-SWLSCSKDSA-N -1 3 326.404 2.746 20 30 EFEDHM CCCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccnc1 ZINC001609203245 1098197711 /nfs/dbraw/zinc/19/77/11/1098197711.db2.gz CZSLJKBWFVNJBF-UHFFFAOYSA-N -1 3 342.794 2.926 20 30 EFEDHM CCCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccnc1 ZINC001609203245 1098197714 /nfs/dbraw/zinc/19/77/14/1098197714.db2.gz CZSLJKBWFVNJBF-UHFFFAOYSA-N -1 3 342.794 2.926 20 30 EFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C#N)c1 ZINC001609214002 1098206145 /nfs/dbraw/zinc/20/61/45/1098206145.db2.gz FTOFZOUGWABUSU-UHFFFAOYSA-N -1 3 346.394 2.791 20 30 EFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C#N)c1 ZINC001609214002 1098206147 /nfs/dbraw/zinc/20/61/47/1098206147.db2.gz FTOFZOUGWABUSU-UHFFFAOYSA-N -1 3 346.394 2.791 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609251165 1098224985 /nfs/dbraw/zinc/22/49/85/1098224985.db2.gz YAHSXXHDCHVNHG-CSKARUKUSA-N -1 3 345.362 2.920 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609251165 1098224990 /nfs/dbraw/zinc/22/49/90/1098224990.db2.gz YAHSXXHDCHVNHG-CSKARUKUSA-N -1 3 345.362 2.920 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccccc3-c3nnn[n-]3)ccc21 ZINC001609285544 1098237945 /nfs/dbraw/zinc/23/79/45/1098237945.db2.gz DNIFDDAEKYHKBD-VQHVLOKHSA-N -1 3 331.379 2.755 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccccc3-c3nn[n-]n3)ccc21 ZINC001609285544 1098237951 /nfs/dbraw/zinc/23/79/51/1098237951.db2.gz DNIFDDAEKYHKBD-VQHVLOKHSA-N -1 3 331.379 2.755 20 30 EFEDHM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609303080 1098240593 /nfs/dbraw/zinc/24/05/93/1098240593.db2.gz ZKFCJWSKZKTMGD-WCIBSUBMSA-N -1 3 334.335 2.549 20 30 EFEDHM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609303080 1098240599 /nfs/dbraw/zinc/24/05/99/1098240599.db2.gz ZKFCJWSKZKTMGD-WCIBSUBMSA-N -1 3 334.335 2.549 20 30 EFEDHM COCC(N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C(C)C ZINC001609315741 1098246598 /nfs/dbraw/zinc/24/65/98/1098246598.db2.gz RMJFCQYJPIOGAV-UHFFFAOYSA-N -1 3 342.325 2.956 20 30 EFEDHM COCC(N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(C)C ZINC001609315741 1098246601 /nfs/dbraw/zinc/24/66/01/1098246601.db2.gz RMJFCQYJPIOGAV-UHFFFAOYSA-N -1 3 342.325 2.956 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc3c(c2)CCO3)ccc1-c1nnn[n-]1 ZINC001609341272 1098254624 /nfs/dbraw/zinc/25/46/24/1098254624.db2.gz IALLQSABFCZSMB-ZZXKWVIFSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc3c(c2)CCO3)ccc1-c1nn[n-]n1 ZINC001609341272 1098254630 /nfs/dbraw/zinc/25/46/30/1098254630.db2.gz IALLQSABFCZSMB-ZZXKWVIFSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)ccc1F ZINC001609340399 1098254642 /nfs/dbraw/zinc/25/46/42/1098254642.db2.gz GYIPIQKULUHWND-AWNIVKPZSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)ccc1F ZINC001609340399 1098254647 /nfs/dbraw/zinc/25/46/47/1098254647.db2.gz GYIPIQKULUHWND-AWNIVKPZSA-N -1 3 336.326 2.837 20 30 EFEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1C(C)C ZINC001609379783 1098274068 /nfs/dbraw/zinc/27/40/68/1098274068.db2.gz UPMQSQHCSKEIKF-PLNGDYQASA-N -1 3 328.401 2.910 20 30 EFEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cnn1C(C)C ZINC001609379783 1098274071 /nfs/dbraw/zinc/27/40/71/1098274071.db2.gz UPMQSQHCSKEIKF-PLNGDYQASA-N -1 3 328.401 2.910 20 30 EFEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1C(C)C ZINC001609379784 1098274734 /nfs/dbraw/zinc/27/47/34/1098274734.db2.gz UPMQSQHCSKEIKF-SNAWJCMRSA-N -1 3 328.401 2.910 20 30 EFEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cnn1C(C)C ZINC001609379784 1098274737 /nfs/dbraw/zinc/27/47/37/1098274737.db2.gz UPMQSQHCSKEIKF-SNAWJCMRSA-N -1 3 328.401 2.910 20 30 EFEDHM Cc1cc(OC(=O)c2c(F)cc(C#N)cc2F)ccc1-c1nnn[n-]1 ZINC001609411238 1098298305 /nfs/dbraw/zinc/29/83/05/1098298305.db2.gz WLQXKZRGWPWQFS-UHFFFAOYSA-N -1 3 341.277 2.544 20 30 EFEDHM Cc1cc(OC(=O)c2c(F)cc(C#N)cc2F)ccc1-c1nn[n-]n1 ZINC001609411238 1098298312 /nfs/dbraw/zinc/29/83/12/1098298312.db2.gz WLQXKZRGWPWQFS-UHFFFAOYSA-N -1 3 341.277 2.544 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001609417532 1098302408 /nfs/dbraw/zinc/30/24/08/1098302408.db2.gz XXGUBOFBFPJUHQ-HJWRWDBZSA-N -1 3 330.351 2.699 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001609417532 1098302416 /nfs/dbraw/zinc/30/24/16/1098302416.db2.gz XXGUBOFBFPJUHQ-HJWRWDBZSA-N -1 3 330.351 2.699 20 30 EFEDHM Cc1ccc(C)c(OC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609421415 1098307185 /nfs/dbraw/zinc/30/71/85/1098307185.db2.gz CMCLCGAGJYHUHR-INIZCTEOSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1ccc(C)c(OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609421415 1098307191 /nfs/dbraw/zinc/30/71/91/1098307191.db2.gz CMCLCGAGJYHUHR-INIZCTEOSA-N -1 3 347.378 2.771 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(-c2ccccc2)cc1 ZINC001609446618 1098327328 /nfs/dbraw/zinc/32/73/28/1098327328.db2.gz JRYAQCIAVZVRLL-UHFFFAOYSA-N -1 3 341.378 2.959 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(-c2ccccc2)cc1 ZINC001609446618 1098327333 /nfs/dbraw/zinc/32/73/33/1098327333.db2.gz JRYAQCIAVZVRLL-UHFFFAOYSA-N -1 3 341.378 2.959 20 30 EFEDHM Clc1ccccc1CNN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001609474143 1098347743 /nfs/dbraw/zinc/34/77/43/1098347743.db2.gz IZQDZEBAWGHHGF-UHFFFAOYSA-N -1 3 338.802 2.960 20 30 EFEDHM Clc1ccccc1CNN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609474143 1098347750 /nfs/dbraw/zinc/34/77/50/1098347750.db2.gz IZQDZEBAWGHHGF-UHFFFAOYSA-N -1 3 338.802 2.960 20 30 EFEDHM N#CC1(CSCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001609493490 1098360318 /nfs/dbraw/zinc/36/03/18/1098360318.db2.gz KCKLUOSLJNLVSY-UHFFFAOYSA-N -1 3 342.428 2.622 20 30 EFEDHM N#CC1(CSCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001609493490 1098360327 /nfs/dbraw/zinc/36/03/27/1098360327.db2.gz KCKLUOSLJNLVSY-UHFFFAOYSA-N -1 3 342.428 2.622 20 30 EFEDHM N#CC[C@H](CC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001609495134 1098361091 /nfs/dbraw/zinc/36/10/91/1098361091.db2.gz VSWWVKHLCZOJNP-MRXNPFEDSA-N -1 3 346.394 2.570 20 30 EFEDHM N#CC[C@H](CC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609495134 1098361098 /nfs/dbraw/zinc/36/10/98/1098361098.db2.gz VSWWVKHLCZOJNP-MRXNPFEDSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC001609497672 1098361581 /nfs/dbraw/zinc/36/15/81/1098361581.db2.gz CRMBBSYOSUWRPW-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001609497672 1098361586 /nfs/dbraw/zinc/36/15/86/1098361586.db2.gz CRMBBSYOSUWRPW-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cc(F)ccc1NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001609497740 1098361861 /nfs/dbraw/zinc/36/18/61/1098361861.db2.gz GGGMXHOIHNCUFB-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(F)ccc1NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001609497740 1098361865 /nfs/dbraw/zinc/36/18/65/1098361865.db2.gz GGGMXHOIHNCUFB-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C#N ZINC001609498998 1098361946 /nfs/dbraw/zinc/36/19/46/1098361946.db2.gz FXRNWCPNEKXOAX-UHFFFAOYSA-N -1 3 349.741 2.516 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C#N ZINC001609498998 1098361953 /nfs/dbraw/zinc/36/19/53/1098361953.db2.gz FXRNWCPNEKXOAX-UHFFFAOYSA-N -1 3 349.741 2.516 20 30 EFEDHM N#CC[C@@H]1CC[C@H](Nc2nc3cc(Cl)ccn3c2-c2nnn[n-]2)C1 ZINC001609496231 1098362552 /nfs/dbraw/zinc/36/25/52/1098362552.db2.gz XXKSQRKGFRLEAW-ONGXEEELSA-N -1 3 342.794 2.662 20 30 EFEDHM N#CC[C@@H]1CC[C@H](Nc2nc3cc(Cl)ccn3c2-c2nn[n-]n2)C1 ZINC001609496231 1098362559 /nfs/dbraw/zinc/36/25/59/1098362559.db2.gz XXKSQRKGFRLEAW-ONGXEEELSA-N -1 3 342.794 2.662 20 30 EFEDHM N#Cc1sc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)nc1Cl ZINC001609501587 1098363201 /nfs/dbraw/zinc/36/32/01/1098363201.db2.gz YFNYSSDJUHAJRR-JTQLQIEISA-N -1 3 343.803 2.948 20 30 EFEDHM N#Cc1sc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)nc1Cl ZINC001609501587 1098363206 /nfs/dbraw/zinc/36/32/06/1098363206.db2.gz YFNYSSDJUHAJRR-JTQLQIEISA-N -1 3 343.803 2.948 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccc([C@H]2CCOC2)cc1 ZINC001609499910 1098364471 /nfs/dbraw/zinc/36/44/71/1098364471.db2.gz OZMGHRWBTUKALJ-AWEZNQCLSA-N -1 3 332.367 2.986 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccc([C@H]2CCOC2)cc1 ZINC001609499910 1098364477 /nfs/dbraw/zinc/36/44/77/1098364477.db2.gz OZMGHRWBTUKALJ-AWEZNQCLSA-N -1 3 332.367 2.986 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001609499680 1098364502 /nfs/dbraw/zinc/36/45/02/1098364502.db2.gz DWBMULTZEXKOFA-BBWFWOEESA-N -1 3 328.379 2.736 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC001609499680 1098364509 /nfs/dbraw/zinc/36/45/09/1098364509.db2.gz DWBMULTZEXKOFA-BBWFWOEESA-N -1 3 328.379 2.736 20 30 EFEDHM N#Cc1cccc(OCCCN2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC001609500166 1098364558 /nfs/dbraw/zinc/36/45/58/1098364558.db2.gz FNPHUWOXOKHXMF-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(OCCCN2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC001609500166 1098364565 /nfs/dbraw/zinc/36/45/65/1098364565.db2.gz FNPHUWOXOKHXMF-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccccc1-c1nnn[n-]1 ZINC001609519854 1098367206 /nfs/dbraw/zinc/36/72/06/1098367206.db2.gz QLOJAPOAZSHKHC-KHPPLWFESA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccccc1-c1nn[n-]n1 ZINC001609519854 1098367211 /nfs/dbraw/zinc/36/72/11/1098367211.db2.gz QLOJAPOAZSHKHC-KHPPLWFESA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609519585 1098368144 /nfs/dbraw/zinc/36/81/44/1098368144.db2.gz BANJPASJYZREEP-BHQIHCQQSA-N -1 3 327.325 2.733 20 30 EFEDHM O=C(C=Cc1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609519585 1098368151 /nfs/dbraw/zinc/36/81/51/1098368151.db2.gz BANJPASJYZREEP-BHQIHCQQSA-N -1 3 327.325 2.733 20 30 EFEDHM O=C(OCC#Cc1ccccc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609573515 1098385695 /nfs/dbraw/zinc/38/56/95/1098385695.db2.gz FALQOXHIQPEEJU-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM O=C(OCC#Cc1ccccc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609573515 1098385702 /nfs/dbraw/zinc/38/57/02/1098385702.db2.gz FALQOXHIQPEEJU-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001609585949 1098391919 /nfs/dbraw/zinc/39/19/19/1098391919.db2.gz LSRURCJNXHXVTI-POHAHGRESA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2ccc(F)cc2OCC1=Cc1cccc(F)c1-c1nn[n-]n1 ZINC001609585949 1098391926 /nfs/dbraw/zinc/39/19/26/1098391926.db2.gz LSRURCJNXHXVTI-POHAHGRESA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1C(=Cc2nc(Cl)cs2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001609585769 1098392149 /nfs/dbraw/zinc/39/21/49/1098392149.db2.gz FDLRIPAOHRKAKR-YWEYNIOJSA-N -1 3 344.787 2.584 20 30 EFEDHM O=C1C(=Cc2nc(Cl)cs2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001609585769 1098392158 /nfs/dbraw/zinc/39/21/58/1098392158.db2.gz FDLRIPAOHRKAKR-YWEYNIOJSA-N -1 3 344.787 2.584 20 30 EFEDHM c1ccc2c(c1)cnnc2N=NC1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001609617984 1098405462 /nfs/dbraw/zinc/40/54/62/1098405462.db2.gz LMBZYIOOAZSKER-UHFFFAOYSA-N -1 3 342.366 2.572 20 30 EFEDHM c1ccc2c(c1)cnnc2N=NC1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609617984 1098405465 /nfs/dbraw/zinc/40/54/65/1098405465.db2.gz LMBZYIOOAZSKER-UHFFFAOYSA-N -1 3 342.366 2.572 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc([S@](C)=O)cc1 ZINC001609774126 1098453139 /nfs/dbraw/zinc/45/31/39/1098453139.db2.gz JPTOQMFTUDFCRU-BLPFDFMYSA-N -1 3 342.420 2.772 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc([S@@](C)=O)cc1 ZINC001609774134 1098453448 /nfs/dbraw/zinc/45/34/48/1098453448.db2.gz JPTOQMFTUDFCRU-KZNWIGSXSA-N -1 3 342.420 2.772 20 30 EFEDHM COC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001610190513 1098566115 /nfs/dbraw/zinc/56/61/15/1098566115.db2.gz QQCHFOBXKNQYRL-MRXNPFEDSA-N -1 3 339.351 2.652 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCN(C(=O)c3cc([O-])ccc3Cl)C2)C1=O ZINC001269987542 1098568457 /nfs/dbraw/zinc/56/84/57/1098568457.db2.gz PSBQPFAGPJKTQM-GOSISDBHSA-N -1 3 348.830 2.686 20 30 EFEDHM COC(=O)c1cccc([C@@H](N[C@@H](C)c2ccc(C#N)cc2)C(=O)[O-])c1 ZINC001610219908 1098577912 /nfs/dbraw/zinc/57/79/12/1098577912.db2.gz XOVJPKSOJANAKI-YVEFUNNKSA-N -1 3 338.363 2.821 20 30 EFEDHM COc1ccc(CN[C@@](C)(C(=O)[O-])c2ccc(F)cc2)cc1C#N ZINC001610335770 1098626084 /nfs/dbraw/zinc/62/60/84/1098626084.db2.gz KWXVWUORNXCASJ-GOSISDBHSA-N -1 3 328.343 2.796 20 30 EFEDHM N#Cc1c(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cccc1C(=O)[O-] ZINC001610623218 1098788806 /nfs/dbraw/zinc/78/88/06/1098788806.db2.gz KRCCRSZLQSVRON-DJIMGWMZSA-N -1 3 326.396 2.694 20 30 EFEDHM CC(C)C[C@H](CNc1ncccc1C#N)NC(=O)c1ccccc1[O-] ZINC001104897304 1098936312 /nfs/dbraw/zinc/93/63/12/1098936312.db2.gz HHIJLUHFYXZFDD-OAHLLOKOSA-N -1 3 338.411 2.915 20 30 EFEDHM CC(C)C[C@H](CNc1ccc(C#N)nc1)NC(=O)c1ccccc1[O-] ZINC001104897843 1098940207 /nfs/dbraw/zinc/94/02/07/1098940207.db2.gz NJYAMZJUJNIHAT-MRXNPFEDSA-N -1 3 338.411 2.915 20 30 EFEDHM CN(CCN(C)c1cccc(F)c1C#N)C(=O)c1ccccc1[O-] ZINC001105331033 1099081363 /nfs/dbraw/zinc/08/13/63/1099081363.db2.gz MXMSXWGWOCGGNN-UHFFFAOYSA-N -1 3 327.359 2.611 20 30 EFEDHM CN(CCN(C)c1ncc(C#N)cc1Cl)C(=O)c1ccccc1[O-] ZINC001105330972 1099081963 /nfs/dbraw/zinc/08/19/63/1099081963.db2.gz KILWQDNOFPEWMG-UHFFFAOYSA-N -1 3 344.802 2.521 20 30 EFEDHM C=CCO[N-]C(=O)CCC[S@@](=O)c1ccc(Br)cc1 ZINC000837047123 1099441123 /nfs/dbraw/zinc/44/11/23/1099441123.db2.gz WWYTXBCKFBTQBE-LJQANCHMSA-N -1 3 346.246 2.571 20 30 EFEDHM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1nc[n-]c1C(F)(F)F ZINC001639803536 1100984476 /nfs/dbraw/zinc/98/44/76/1100984476.db2.gz YTPYKBVFGKLLLY-UHFFFAOYSA-N -1 3 334.261 2.737 20 30 EFEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001642177313 1101195446 /nfs/dbraw/zinc/19/54/46/1101195446.db2.gz YBYVCAUVOCQEME-INIZCTEOSA-N -1 3 346.394 2.502 20 30 EFEDHM N#C[C@H](CCc1ccccc1)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001642177313 1101195448 /nfs/dbraw/zinc/19/54/48/1101195448.db2.gz YBYVCAUVOCQEME-INIZCTEOSA-N -1 3 346.394 2.502 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001643002139 1101263038 /nfs/dbraw/zinc/26/30/38/1101263038.db2.gz ZZKXUISXAYOENV-HNNXBMFYSA-N -1 3 335.342 2.776 20 30 EFEDHM CC(=NNC(=S)NCC(F)(F)F)c1ccc([O-])cc1Cl ZINC000905443492 1103205206 /nfs/dbraw/zinc/20/52/06/1103205206.db2.gz XGCPBMGJGJAOFF-UHFFFAOYSA-N -1 3 325.743 2.796 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000436830757 1103480084 /nfs/dbraw/zinc/48/00/84/1103480084.db2.gz WJCJGEKYVZJEPT-UHFFFAOYSA-N -1 3 327.336 2.616 20 30 EFEDHM C=C1CCC(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])CC1 ZINC000897757149 1106073319 /nfs/dbraw/zinc/07/33/19/1106073319.db2.gz WTQBLMBTKJOMNT-STQMWFEESA-N -1 3 331.416 2.613 20 30 EFEDHM N#Cc1cccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)c1 ZINC001142527068 1106178960 /nfs/dbraw/zinc/17/89/60/1106178960.db2.gz JJRQPWLZLHROMS-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060172363 1107184689 /nfs/dbraw/zinc/18/46/89/1107184689.db2.gz FCSNJQCDMZQZMN-CVEARBPZSA-N -1 3 344.455 2.963 20 30 EFEDHM C=C[C@@H](CC)CC(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060175368 1107325378 /nfs/dbraw/zinc/32/53/78/1107325378.db2.gz KPKGYNGJZRLCLJ-HOTGVXAUSA-N -1 3 344.455 2.963 20 30 EFEDHM NC(=O)NCCCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904183294 1107675838 /nfs/dbraw/zinc/67/58/38/1107675838.db2.gz YZOSCTLFNMMRKD-UHFFFAOYSA-N -1 3 334.203 2.550 20 30 EFEDHM O=C(CN1CCCCC1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182422 1107676211 /nfs/dbraw/zinc/67/62/11/1107676211.db2.gz CUHNWXWAJOMCFM-UHFFFAOYSA-N -1 3 331.199 2.724 20 30 EFEDHM CC(=O)N1CCC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000904183068 1107676417 /nfs/dbraw/zinc/67/64/17/1107676417.db2.gz VCOHZWYITZTSTL-LBPRGKRZSA-N -1 3 345.226 2.970 20 30 EFEDHM C=CCC1(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)CCC1 ZINC000904183801 1107678150 /nfs/dbraw/zinc/67/81/50/1107678150.db2.gz AIYKAMZHROTQRO-UHFFFAOYSA-N -1 3 342.395 2.637 20 30 EFEDHM CC(C)CS(=O)(=O)CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904170386 1107687295 /nfs/dbraw/zinc/68/72/95/1107687295.db2.gz KEGVBSYMDBPJDK-UHFFFAOYSA-N -1 3 335.425 2.628 20 30 EFEDHM CCC[C@H](CCCS(C)(=O)=O)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904172803 1107689336 /nfs/dbraw/zinc/68/93/36/1107689336.db2.gz CJKARFNLIXIBOM-CQSZACIVSA-N -1 3 345.436 2.785 20 30 EFEDHM O=C([C@H]1CCCN(CC(F)(F)F)C1)N([O-])Cc1ccc(F)cc1 ZINC000904174750 1107690973 /nfs/dbraw/zinc/69/09/73/1107690973.db2.gz HQYPIHNMFGATMX-LBPRGKRZSA-N -1 3 334.313 2.818 20 30 EFEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)N(C)C(=O)OC(C)(C)C ZINC000904177875 1107695796 /nfs/dbraw/zinc/69/57/96/1107695796.db2.gz QZXXQKSMNJABRS-NSHDSACASA-N -1 3 326.368 2.799 20 30 EFEDHM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177797 1107695996 /nfs/dbraw/zinc/69/59/96/1107695996.db2.gz OGTMEJUFKSZPAV-NSHDSACASA-N -1 3 326.368 2.704 20 30 EFEDHM CCCCN([O-])C(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000904210628 1107699223 /nfs/dbraw/zinc/69/92/23/1107699223.db2.gz VEHPRKWAXXZNTN-LBPRGKRZSA-N -1 3 334.445 2.926 20 30 EFEDHM O=C(c1cccnc1N1CCOCC1)N([O-])Cc1ccccc1Cl ZINC000904188899 1107701007 /nfs/dbraw/zinc/70/10/07/1107701007.db2.gz RXZAOJGQNNGTGT-UHFFFAOYSA-N -1 3 347.802 2.603 20 30 EFEDHM O=C([C@H]1CCN(CC(F)(F)F)C1)N([O-])Cc1ccccc1Cl ZINC000904190613 1107703178 /nfs/dbraw/zinc/70/31/78/1107703178.db2.gz NZJFLRYPJIASTQ-NSHDSACASA-N -1 3 336.741 2.942 20 30 EFEDHM CC(=O)N[C@@H](CCC(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904192663 1107705426 /nfs/dbraw/zinc/70/54/26/1107705426.db2.gz UYLLZXIIXQOXCQ-HNNXBMFYSA-N -1 3 326.824 2.999 20 30 EFEDHM Cc1nc(N[C@@H](C)C[C@@H](C)NC(=O)c2ccccc2[O-])ccc1C#N ZINC001089244006 1108164493 /nfs/dbraw/zinc/16/44/93/1108164493.db2.gz LTGOPQGJLBCUHS-QWHCGFSZSA-N -1 3 338.411 2.976 20 30 EFEDHM 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CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@]2(C#N)CC2(C)C)c1 ZINC000290902143 241021721 /nfs/dbraw/zinc/02/17/21/241021721.db2.gz FGDWMEAEXOYPHW-CQSZACIVSA-N -1 3 326.805 2.513 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1noc(-c2ccccc2)n1 ZINC000296123976 241075129 /nfs/dbraw/zinc/07/51/29/241075129.db2.gz FTCYTDLUNRTHTO-GFCCVEGCSA-N -1 3 348.428 2.657 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2cccc(OC[C@H]3CCCO3)c2)c1[O-] ZINC000298316597 241148876 /nfs/dbraw/zinc/14/88/76/241148876.db2.gz WWJTZZFOJORCIY-LYUVJKPTSA-N -1 3 342.395 2.896 20 30 EFEDHM Cc1ccc(C(=O)NC2CC2)cc1/N=C/c1c([O-])c(C)ncc1CO ZINC000298634709 241156933 /nfs/dbraw/zinc/15/69/33/241156933.db2.gz HWWPUEFDNRDVCM-ZVBGSRNCSA-N -1 3 339.395 2.539 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@H](C)CCc2ccc3c(c2)OCO3)c1[O-] ZINC000299359867 241175369 /nfs/dbraw/zinc/17/53/69/241175369.db2.gz PDQVZKSOPKQBBH-IDTCLIEOSA-N -1 3 342.395 2.757 20 30 EFEDHM CCc1ccc([O-])c(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 ZINC000328721136 241227199 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CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355825848 242047468 /nfs/dbraw/zinc/04/74/68/242047468.db2.gz ATECDFQQGPOXSX-UHFFFAOYSA-N -1 3 347.371 2.651 20 30 EFEDHM Cc1ccnc([C@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)C2CC2)n1 ZINC000356589068 242076657 /nfs/dbraw/zinc/07/66/57/242076657.db2.gz BIQFJHLWQQOZRM-OAHLLOKOSA-N -1 3 348.472 2.630 20 30 EFEDHM Cc1ccnc([C@@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)C2CC2)n1 ZINC000356589066 242076674 /nfs/dbraw/zinc/07/66/74/242076674.db2.gz BIQFJHLWQQOZRM-HNNXBMFYSA-N -1 3 348.472 2.630 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4nccnc4c3)nc1-2 ZINC000355240816 242024063 /nfs/dbraw/zinc/02/40/63/242024063.db2.gz PXJLRCNSNAUCGT-GFCCVEGCSA-N -1 3 328.335 2.700 20 30 EFEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1ccccc1Br ZINC000357543009 242101088 /nfs/dbraw/zinc/10/10/88/242101088.db2.gz ZTSFQFXFGSWKCM-ZDUSSCGKSA-N -1 3 343.246 2.561 20 30 EFEDHM N#CCc1ccc(OCc2cccc(NC(=O)c3nc[n-]n3)c2)cc1 ZINC000358446822 242119650 /nfs/dbraw/zinc/11/96/50/242119650.db2.gz 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/nfs/dbraw/zinc/01/69/33/472016933.db2.gz WRXTUAAQBXFKAL-UHFFFAOYSA-N -1 3 339.355 2.680 20 30 EFEDHM COc1ccc(COCC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053528196 472016938 /nfs/dbraw/zinc/01/69/38/472016938.db2.gz WRXTUAAQBXFKAL-UHFFFAOYSA-N -1 3 339.355 2.680 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1F ZINC000041509179 472066612 /nfs/dbraw/zinc/06/66/12/472066612.db2.gz IBRQFKDVWIOPAH-LBPRGKRZSA-N -1 3 328.347 2.642 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)c(OC)c1OC ZINC000041520027 472067469 /nfs/dbraw/zinc/06/74/69/472067469.db2.gz VSYKVLQRBPMGKK-LLVKDONJSA-N -1 3 332.381 2.967 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CS3)nc(C)n1 ZINC000041574912 472070709 /nfs/dbraw/zinc/07/07/09/472070709.db2.gz NXMDZYBBHMPEQY-LBPRGKRZSA-N -1 3 338.392 2.628 20 30 EFEDHM COC(=O)c1ccc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000068304464 472165718 /nfs/dbraw/zinc/16/57/18/472165718.db2.gz KFXYKOCNMAMOFI-UHFFFAOYSA-N -1 3 342.277 2.831 20 30 EFEDHM COC(=O)c1ccc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000068304464 472165724 /nfs/dbraw/zinc/16/57/24/472165724.db2.gz KFXYKOCNMAMOFI-UHFFFAOYSA-N -1 3 342.277 2.831 20 30 EFEDHM N#CC(=C([O-])c1ccc(Cl)c(N2CCNC2=O)c1)c1ccccn1 ZINC000076090012 472268080 /nfs/dbraw/zinc/26/80/80/472268080.db2.gz UGCYIEHDAVNZSD-GFCCVEGCSA-N -1 3 340.770 2.755 20 30 EFEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Cn2cccn2)cc1 ZINC000029389702 472272881 /nfs/dbraw/zinc/27/28/81/472272881.db2.gz QQEYPIAAMQGCJT-UHFFFAOYSA-N -1 3 336.277 2.705 20 30 EFEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Cn2cccn2)cc1 ZINC000029389702 472272887 /nfs/dbraw/zinc/27/28/87/472272887.db2.gz QQEYPIAAMQGCJT-UHFFFAOYSA-N -1 3 336.277 2.705 20 30 EFEDHM COc1ccccc1-c1nc(NC(=O)[C@H](C)OC[C@H]2CCCO2)n[n-]1 ZINC000069128778 472295279 /nfs/dbraw/zinc/29/52/79/472295279.db2.gz JTQLAQBIOSLOBL-NWDGAFQWSA-N -1 3 346.387 2.652 20 30 EFEDHM COCc1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000044550539 472317071 /nfs/dbraw/zinc/31/70/71/472317071.db2.gz KASRAMFFLVHACL-UHFFFAOYSA-N -1 3 339.395 2.581 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC1CCCC1 ZINC000044633171 472324471 /nfs/dbraw/zinc/32/44/71/472324471.db2.gz LZAUGUWRSPIWLI-UHFFFAOYSA-N -1 3 329.444 2.883 20 30 EFEDHM Cc1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c([O-])c1 ZINC000031415007 472377572 /nfs/dbraw/zinc/37/75/72/472377572.db2.gz CWPGUXJBRDEUOE-UHFFFAOYSA-N -1 3 339.370 2.674 20 30 EFEDHM Cc1nn(C)c(C)c1CC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000076687091 472385074 /nfs/dbraw/zinc/38/50/74/472385074.db2.gz SIHHEBCEEBNICB-UHFFFAOYSA-N -1 3 328.351 2.792 20 30 EFEDHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nccs1 ZINC000116377155 472397595 /nfs/dbraw/zinc/39/75/95/472397595.db2.gz VZCMUZJLCKHHND-UHFFFAOYSA-N -1 3 341.845 2.882 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2cccc(NC(=O)C(C)C)c2)c1[O-] ZINC000031854266 472399937 /nfs/dbraw/zinc/39/99/37/472399937.db2.gz CRDCHPVXCFAMAC-AWQFTUOYSA-N -1 3 327.384 2.933 20 30 EFEDHM C=C(C)CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000154273222 472409765 /nfs/dbraw/zinc/40/97/65/472409765.db2.gz MNKBARRNPMVMEY-SFHVURJKSA-N -1 3 338.407 2.946 20 30 EFEDHM C=C(C)CNC(=O)/C=C/c1cc(Br)c([O-])c(OC)c1 ZINC000154314343 472415433 /nfs/dbraw/zinc/41/54/33/472415433.db2.gz QNUGMEVVZHXTIN-SNAWJCMRSA-N -1 3 326.190 2.869 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000045528781 472421204 /nfs/dbraw/zinc/42/12/04/472421204.db2.gz YOUGQWIJVYYCMH-BWACUDIHSA-N -1 3 329.444 2.737 20 30 EFEDHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c1 ZINC000154454974 472435535 /nfs/dbraw/zinc/43/55/35/472435535.db2.gz CKPYYYSBBHIZAT-OAHLLOKOSA-N -1 3 332.429 2.787 20 30 EFEDHM C=C[C@@H](CC(=O)NCCNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000089486104 472450298 /nfs/dbraw/zinc/45/02/98/472450298.db2.gz ASVQSONUTLOQRM-HNNXBMFYSA-N -1 3 338.407 2.598 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117112891 472456125 /nfs/dbraw/zinc/45/61/25/472456125.db2.gz HEWQABKQGQPMLS-LBPRGKRZSA-N -1 3 331.445 2.772 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1CC(C)C ZINC000128654390 472480644 /nfs/dbraw/zinc/48/06/44/472480644.db2.gz NSJSAJBBWUIAAQ-OAHLLOKOSA-N -1 3 329.444 2.833 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000046057396 472505537 /nfs/dbraw/zinc/50/55/37/472505537.db2.gz YJWKLASDECUDJB-ZDUSSCGKSA-N -1 3 327.428 2.586 20 30 EFEDHM COc1ccc(-c2nc(Sc3ccc(C#N)cn3)n[n-]2)c(OC)c1 ZINC000058178276 472513246 /nfs/dbraw/zinc/51/32/46/472513246.db2.gz CRHCGLOJZGWMDG-UHFFFAOYSA-N -1 3 339.380 2.907 20 30 EFEDHM CC(C)(C#N)CCC[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000155276411 472527133 /nfs/dbraw/zinc/52/71/33/472527133.db2.gz STIRQKYRINXSND-JOCHJYFZSA-N -1 3 335.351 2.780 20 30 EFEDHM C=CCN(CC=C)C(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976173 472530626 /nfs/dbraw/zinc/53/06/26/472530626.db2.gz UILXNSUUKKUPGX-SFHVURJKSA-N -1 3 344.455 2.574 20 30 EFEDHM C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000071890770 472602445 /nfs/dbraw/zinc/60/24/45/472602445.db2.gz QALQFZZMYZLOFA-GHMZBOCLSA-N -1 3 334.351 2.783 20 30 EFEDHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000058827707 472605532 /nfs/dbraw/zinc/60/55/32/472605532.db2.gz FMQIBFRQILGDGZ-SECBINFHSA-N -1 3 325.376 2.609 20 30 EFEDHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000058827707 472605536 /nfs/dbraw/zinc/60/55/36/472605536.db2.gz FMQIBFRQILGDGZ-SECBINFHSA-N -1 3 325.376 2.609 20 30 EFEDHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000058827707 472605540 /nfs/dbraw/zinc/60/55/40/472605540.db2.gz FMQIBFRQILGDGZ-SECBINFHSA-N -1 3 325.376 2.609 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000155868616 472629837 /nfs/dbraw/zinc/62/98/37/472629837.db2.gz ZHZAIWLPMMJASZ-FUHWJXTLSA-N -1 3 341.455 2.881 20 30 EFEDHM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1nc2ccccc2[nH]1 ZINC000130944881 472637161 /nfs/dbraw/zinc/63/71/61/472637161.db2.gz GKGFWZLLNWRGFA-GFCCVEGCSA-N -1 3 328.335 2.634 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(C#N)c1 ZINC000103504694 472639377 /nfs/dbraw/zinc/63/93/77/472639377.db2.gz PXRDJTKFDCTWGG-OAHLLOKOSA-N -1 3 333.347 2.918 20 30 EFEDHM Cn1nnc2cc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)ccc21 ZINC000103796628 472647135 /nfs/dbraw/zinc/64/71/35/472647135.db2.gz KTQRTBQSUGOJNL-LLVKDONJSA-N -1 3 345.284 2.872 20 30 EFEDHM Cc1ccc([O-])c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000047139683 472658383 /nfs/dbraw/zinc/65/83/83/472658383.db2.gz VCTURVGZQUQSQO-UHFFFAOYSA-N -1 3 335.407 2.925 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000078268339 472684109 /nfs/dbraw/zinc/68/41/09/472684109.db2.gz GRSRFRZAWUOUJP-SWLSCSKDSA-N -1 3 329.444 2.833 20 30 EFEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2cccc(C#N)c2)n1 ZINC000104756445 472690848 /nfs/dbraw/zinc/69/08/48/472690848.db2.gz JDMBODVQAACBDM-UHFFFAOYSA-N -1 3 335.454 2.791 20 30 EFEDHM COc1ccc(Cl)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)c1 ZINC000132377625 472731439 /nfs/dbraw/zinc/73/14/39/472731439.db2.gz ZOQBCPVORFKPLJ-UHFFFAOYSA-N -1 3 328.821 2.853 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000156654811 472737272 /nfs/dbraw/zinc/73/72/72/472737272.db2.gz YCFNOGLORDCNHJ-CYBMUJFWSA-N -1 3 332.812 2.830 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000157031909 472777471 /nfs/dbraw/zinc/77/74/71/472777471.db2.gz IJMQTVAZKFLKRG-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000121017652 472783484 /nfs/dbraw/zinc/78/34/84/472783484.db2.gz GMYFHEGVEKHACJ-RYUDHWBXSA-N -1 3 337.401 2.714 20 30 EFEDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000157566238 472835342 /nfs/dbraw/zinc/83/53/42/472835342.db2.gz DEAHZWUIMQBUMG-SECBINFHSA-N -1 3 339.804 2.856 20 30 EFEDHM N#C[C@@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC000106292042 472838915 /nfs/dbraw/zinc/83/89/15/472838915.db2.gz MDYVTDHQIREUGY-QGZVFWFLSA-N -1 3 336.391 2.542 20 30 EFEDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000157697024 472849128 /nfs/dbraw/zinc/84/91/28/472849128.db2.gz XMZWMJQYJJXFSC-STQMWFEESA-N -1 3 328.434 2.650 20 30 EFEDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2ccco2)[n-]1 ZINC000073719187 472860982 /nfs/dbraw/zinc/86/09/82/472860982.db2.gz BBRXEZSRDWPMBH-UHFFFAOYSA-N -1 3 329.272 2.640 20 30 EFEDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccco2)n[n-]1 ZINC000073719187 472860988 /nfs/dbraw/zinc/86/09/88/472860988.db2.gz BBRXEZSRDWPMBH-UHFFFAOYSA-N -1 3 329.272 2.640 20 30 EFEDHM O=C(COc1cccc([N+](=O)[O-])c1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073719187 472860991 /nfs/dbraw/zinc/86/09/91/472860991.db2.gz BBRXEZSRDWPMBH-UHFFFAOYSA-N -1 3 329.272 2.640 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccncc1 ZINC000092264590 472885766 /nfs/dbraw/zinc/88/57/66/472885766.db2.gz PHXYQECKSDYLLT-UHFFFAOYSA-N -1 3 349.843 2.863 20 30 EFEDHM CC(=O)Nc1ccc(CC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000073973927 472913660 /nfs/dbraw/zinc/91/36/60/472913660.db2.gz XJNUEZPDTNSRPC-UHFFFAOYSA-N -1 3 325.328 2.854 20 30 EFEDHM CC(=O)Nc1ccc(CC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000073973927 472913665 /nfs/dbraw/zinc/91/36/65/472913665.db2.gz XJNUEZPDTNSRPC-UHFFFAOYSA-N -1 3 325.328 2.854 20 30 EFEDHM CC(=O)Nc1ccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000073973927 472913671 /nfs/dbraw/zinc/91/36/71/472913671.db2.gz XJNUEZPDTNSRPC-UHFFFAOYSA-N -1 3 325.328 2.854 20 30 EFEDHM Cc1cc(C)cc(C(=O)NCC(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000073974049 472914821 /nfs/dbraw/zinc/91/48/21/472914821.db2.gz AWAWCEIUGCVFOU-UHFFFAOYSA-N -1 3 339.355 2.700 20 30 EFEDHM Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000073974049 472914825 /nfs/dbraw/zinc/91/48/25/472914825.db2.gz AWAWCEIUGCVFOU-UHFFFAOYSA-N -1 3 339.355 2.700 20 30 EFEDHM Cc1cc(C)cc(C(=O)NCC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000073974049 472914831 /nfs/dbraw/zinc/91/48/31/472914831.db2.gz AWAWCEIUGCVFOU-UHFFFAOYSA-N -1 3 339.355 2.700 20 30 EFEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([O-])c(F)c1 ZINC000613497407 480018141 /nfs/dbraw/zinc/01/81/41/480018141.db2.gz BCIXGHSWMDYRAW-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM CC(C)n1cc(C#N)c([N-]C(=O)c2csc([C@@H]3CCCO3)n2)n1 ZINC000121940668 472949743 /nfs/dbraw/zinc/94/97/43/472949743.db2.gz FRIINXAQSJIKEQ-LBPRGKRZSA-N -1 3 331.401 2.896 20 30 EFEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)c1 ZINC000122341772 473003063 /nfs/dbraw/zinc/00/30/63/473003063.db2.gz IKODWLBWWPLZER-OAHLLOKOSA-N -1 3 343.770 2.999 20 30 EFEDHM COC(=O)Cc1n[n-]c(NC(=O)C=Cc2cnc(C(C)(C)C)s2)n1 ZINC000080332951 473016876 /nfs/dbraw/zinc/01/68/76/473016876.db2.gz VNNNDUXPXIVWFT-AATRIKPKSA-N -1 3 349.416 2.576 20 30 EFEDHM COC(=O)Cc1nnc(NC(=O)C=Cc2cnc(C(C)(C)C)s2)[n-]1 ZINC000080332951 473016878 /nfs/dbraw/zinc/01/68/78/473016878.db2.gz VNNNDUXPXIVWFT-AATRIKPKSA-N -1 3 349.416 2.576 20 30 EFEDHM COC(=O)Cc1nc(NC(=O)C=Cc2cnc(C(C)(C)C)s2)n[n-]1 ZINC000080332951 473016886 /nfs/dbraw/zinc/01/68/86/473016886.db2.gz VNNNDUXPXIVWFT-AATRIKPKSA-N -1 3 349.416 2.576 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCC(C)(C)C1 ZINC000135236926 473040694 /nfs/dbraw/zinc/04/06/94/473040694.db2.gz AFGOOPGKXUZSNG-AWEZNQCLSA-N -1 3 329.444 2.881 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000135370522 473063587 /nfs/dbraw/zinc/06/35/87/473063587.db2.gz OAOYOCZOWAPWHC-UHFFFAOYSA-N -1 3 330.262 2.915 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(F)c1 ZINC000135376997 473065489 /nfs/dbraw/zinc/06/54/89/473065489.db2.gz CEIDSEJHUVXKKL-UHFFFAOYSA-N -1 3 348.355 2.659 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3[nH]2)c(F)c1 ZINC000135538232 473090192 /nfs/dbraw/zinc/09/01/92/473090192.db2.gz RINZCQNDXIYNBL-UHFFFAOYSA-N -1 3 343.383 2.700 20 30 EFEDHM C=CCC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000123058529 473091344 /nfs/dbraw/zinc/09/13/44/473091344.db2.gz RIWCLNNXZKCTLL-QGZVFWFLSA-N -1 3 325.412 2.753 20 30 EFEDHM COc1ccc(Cn2cc(C([O-])=C(C#N)c3ccccn3)cn2)cc1 ZINC000109413141 473099656 /nfs/dbraw/zinc/09/96/56/473099656.db2.gz SQUKQYZTWHSLMI-QGZVFWFLSA-N -1 3 332.363 2.825 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(C(C)(C)C)no2)ccc1F ZINC000109520484 473105516 /nfs/dbraw/zinc/10/55/16/473105516.db2.gz YMCIEBFIUZCXGV-UHFFFAOYSA-N -1 3 339.392 2.638 20 30 EFEDHM N#Cc1ccc(NCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1 ZINC000109626211 473112125 /nfs/dbraw/zinc/11/21/25/473112125.db2.gz YQVAZKROYYIATM-UHFFFAOYSA-N -1 3 336.330 2.533 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(Cl)cn1 ZINC000109733153 473116516 /nfs/dbraw/zinc/11/65/16/473116516.db2.gz PFWNIHWWQGUBPL-UHFFFAOYSA-N -1 3 344.802 2.507 20 30 EFEDHM Cc1ccc(C#N)c(N2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000160393306 473117303 /nfs/dbraw/zinc/11/73/03/473117303.db2.gz DUVFOYIQSMOXOP-UHFFFAOYSA-N -1 3 336.395 2.822 20 30 EFEDHM CC#CCN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000160421005 473121513 /nfs/dbraw/zinc/12/15/13/473121513.db2.gz URJPDALSLUMDPT-UHFFFAOYSA-N -1 3 328.437 2.943 20 30 EFEDHM C[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)NC(=O)C1CCCCC1 ZINC000066629093 473128866 /nfs/dbraw/zinc/12/88/66/473128866.db2.gz BCXAGMVWPFTIMZ-MRVPVSSYSA-N -1 3 347.341 2.887 20 30 EFEDHM C[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)NC(=O)C1CCCCC1 ZINC000066629093 473128870 /nfs/dbraw/zinc/12/88/70/473128870.db2.gz BCXAGMVWPFTIMZ-MRVPVSSYSA-N -1 3 347.341 2.887 20 30 EFEDHM CCc1ccc([O-])c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 ZINC000093908577 473160910 /nfs/dbraw/zinc/16/09/10/473160910.db2.gz GNUHDKDACMKUEP-IBGZPJMESA-N -1 3 349.434 2.977 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cnc(-c2ccccc2)nc1 ZINC000066917884 473174805 /nfs/dbraw/zinc/17/48/05/473174805.db2.gz INMMVCCWWNNRNG-UHFFFAOYSA-N -1 3 343.350 2.960 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cnc(-c2ccccc2)nc1 ZINC000066917884 473174815 /nfs/dbraw/zinc/17/48/15/473174815.db2.gz INMMVCCWWNNRNG-UHFFFAOYSA-N -1 3 343.350 2.960 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cnc(-c2ccccc2)nc1 ZINC000066917884 473174818 /nfs/dbraw/zinc/17/48/18/473174818.db2.gz INMMVCCWWNNRNG-UHFFFAOYSA-N -1 3 343.350 2.960 20 30 EFEDHM C=CCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000123788531 473185284 /nfs/dbraw/zinc/18/52/84/473185284.db2.gz DNXMZFRECMQSPZ-UHFFFAOYSA-N -1 3 342.486 2.665 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000094541218 473185891 /nfs/dbraw/zinc/18/58/91/473185891.db2.gz VMXHWKVRYLYMHL-QMMMGPOBSA-N -1 3 337.264 2.790 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000094541219 473186276 /nfs/dbraw/zinc/18/62/76/473186276.db2.gz VMXHWKVRYLYMHL-MRVPVSSYSA-N -1 3 337.264 2.790 20 30 EFEDHM N#CC(=C([O-])c1ccnc(-n2cccn2)c1)c1nc2ccccc2[nH]1 ZINC000123812013 473187892 /nfs/dbraw/zinc/18/78/92/473187892.db2.gz BEIAXCLSOMFQGM-CYBMUJFWSA-N -1 3 328.335 2.634 20 30 EFEDHM COc1cc(C(=O)[N-]c2sccc2C#N)c([N+](=O)[O-])cc1OC ZINC000125690171 473447617 /nfs/dbraw/zinc/44/76/17/473447617.db2.gz QQZZQCBNVRPSMV-UHFFFAOYSA-N -1 3 333.325 2.797 20 30 EFEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](C)CC#N)s2)cs1 ZINC000178320712 473490571 /nfs/dbraw/zinc/49/05/71/473490571.db2.gz GDVNUHDYDNOKCS-QMMMGPOBSA-N -1 3 327.456 2.761 20 30 EFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000126684777 473536958 /nfs/dbraw/zinc/53/69/58/473536958.db2.gz NEKBPPBPOIBRNQ-UHFFFAOYSA-N -1 3 346.246 2.540 20 30 EFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)C2=Cc3ccccc3OC2)C1 ZINC000191555550 473554566 /nfs/dbraw/zinc/55/45/66/473554566.db2.gz WLAUKEWJSQHDFL-CXAGYDPISA-N -1 3 332.425 2.812 20 30 EFEDHM N#Cc1cccc(OCCCCC(=O)[N-]OCc2cccnc2)c1 ZINC000152449498 473563974 /nfs/dbraw/zinc/56/39/74/473563974.db2.gz SNWPDRAGUJBQNT-UHFFFAOYSA-N -1 3 325.368 2.750 20 30 EFEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1CCN(C)C2 ZINC000170636851 473570575 /nfs/dbraw/zinc/57/05/75/473570575.db2.gz MFSJENPIAPZXLD-UHFFFAOYSA-N -1 3 341.436 2.655 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000186070216 473583878 /nfs/dbraw/zinc/58/38/78/473583878.db2.gz LYRMGLZVMSJPSC-UHFFFAOYSA-N -1 3 328.334 2.580 20 30 EFEDHM CC(C)Oc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1C#N ZINC000152640718 473584941 /nfs/dbraw/zinc/58/49/41/473584941.db2.gz TYCUHNVWFXNRBQ-HNNXBMFYSA-N -1 3 338.429 2.656 20 30 EFEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)CCCC#N)c1ccco1 ZINC000152724857 473591223 /nfs/dbraw/zinc/59/12/23/473591223.db2.gz PYOHZERMGJPXII-INIZCTEOSA-N -1 3 334.397 2.601 20 30 EFEDHM COCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1 ZINC000186198048 473614010 /nfs/dbraw/zinc/61/40/10/473614010.db2.gz WNGVMCKFELIGRB-HNNXBMFYSA-N -1 3 332.363 2.904 20 30 EFEDHM Cc1c(C#N)cccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000179026103 473614470 /nfs/dbraw/zinc/61/44/70/473614470.db2.gz VNQOOUXTNMKIQC-UHFFFAOYSA-N -1 3 334.372 2.827 20 30 EFEDHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(F)c1 ZINC000172591695 473652297 /nfs/dbraw/zinc/65/22/97/473652297.db2.gz VUHJZZMIBNCVEW-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2ccccc2C[C@@H]1C ZINC000172789032 473684716 /nfs/dbraw/zinc/68/47/16/473684716.db2.gz NMTRETMEKRKGNE-ZDUSSCGKSA-N -1 3 349.434 2.769 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C(C)C)C(C)C ZINC000192611853 473696898 /nfs/dbraw/zinc/69/68/98/473696898.db2.gz WNOXSXSZSLQQHJ-UHFFFAOYSA-N -1 3 331.460 2.840 20 30 EFEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000172889740 473698460 /nfs/dbraw/zinc/69/84/60/473698460.db2.gz NPXYVYQJENYPNW-UHFFFAOYSA-N -1 3 334.372 2.827 20 30 EFEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000281435667 473721227 /nfs/dbraw/zinc/72/12/27/473721227.db2.gz GTQSCNKJHAOOTL-GFCCVEGCSA-N -1 3 330.331 2.513 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nccs1 ZINC000186682131 473726359 /nfs/dbraw/zinc/72/63/59/473726359.db2.gz CVIMTEJJBYEZEQ-SECBINFHSA-N -1 3 341.845 2.750 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nccs1 ZINC000186683482 473727042 /nfs/dbraw/zinc/72/70/42/473727042.db2.gz QHVHPOSHFRIZEI-SECBINFHSA-N -1 3 341.845 2.750 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nccs1 ZINC000186683463 473727305 /nfs/dbraw/zinc/72/73/05/473727305.db2.gz QHVHPOSHFRIZEI-VIFPVBQESA-N -1 3 341.845 2.750 20 30 EFEDHM CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC)CC#N)c1 ZINC000281531824 473754696 /nfs/dbraw/zinc/75/46/96/473754696.db2.gz RDPRSPWCJFNSQM-LLVKDONJSA-N -1 3 328.821 2.903 20 30 EFEDHM C=CCCCCCN(C)C(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000269331205 473776039 /nfs/dbraw/zinc/77/60/39/473776039.db2.gz ODARLYJSGRLHMC-LJQANCHMSA-N -1 3 343.427 2.560 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000287853400 473778388 /nfs/dbraw/zinc/77/83/88/473778388.db2.gz OZHCSDZXQJASQQ-QMMMGPOBSA-N -1 3 340.298 2.695 20 30 EFEDHM CCCC[C@H](ON=C(C)C)C(=O)[N-]c1nncn1-c1cccnc1 ZINC000288060428 473837198 /nfs/dbraw/zinc/83/71/98/473837198.db2.gz NPJPXSBUERHEGK-AWEZNQCLSA-N -1 3 330.392 2.572 20 30 EFEDHM C=CCSCC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000194545816 473914732 /nfs/dbraw/zinc/91/47/32/473914732.db2.gz CUWULZOICYDIHK-UHFFFAOYSA-N -1 3 325.377 2.903 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC12CCCCC2 ZINC000180670592 473935720 /nfs/dbraw/zinc/93/57/20/473935720.db2.gz YNJIKDVCVWCEOA-INIZCTEOSA-N -1 3 327.428 2.635 20 30 EFEDHM N#Cc1ccc(OC(F)F)c(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000274753896 473945190 /nfs/dbraw/zinc/94/51/90/473945190.db2.gz BTPDWSXFZNAUAD-GFCCVEGCSA-N -1 3 327.287 2.739 20 30 EFEDHM N#Cc1ccc(OC(F)F)c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000274753896 473945196 /nfs/dbraw/zinc/94/51/96/473945196.db2.gz BTPDWSXFZNAUAD-GFCCVEGCSA-N -1 3 327.287 2.739 20 30 EFEDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000288461700 473949331 /nfs/dbraw/zinc/94/93/31/473949331.db2.gz SPJMYCYNJRBNCT-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC#N)CCC(C)C ZINC000264137063 473953948 /nfs/dbraw/zinc/95/39/48/473953948.db2.gz ZSWCSKVHQKYACG-UHFFFAOYSA-N -1 3 342.443 2.997 20 30 EFEDHM C[C@H](C#N)C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000173975297 473967525 /nfs/dbraw/zinc/96/75/25/473967525.db2.gz PCDCATZNAFYJTH-SSDOTTSWSA-N -1 3 326.727 2.797 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C1CC1)C(F)(F)F ZINC000288565215 473983279 /nfs/dbraw/zinc/98/32/79/473983279.db2.gz KWIOMJRXDBERTI-CQSZACIVSA-N -1 3 341.333 2.665 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000181092022 474003890 /nfs/dbraw/zinc/00/38/90/474003890.db2.gz CRNKIQCAAVNTID-HNNXBMFYSA-N -1 3 345.443 2.604 20 30 EFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1cccc(F)c1 ZINC000181291061 474020923 /nfs/dbraw/zinc/02/09/23/474020923.db2.gz NGRSTKDBDTZVJU-QMMMGPOBSA-N -1 3 342.252 2.525 20 30 EFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccccc1F ZINC000181292083 474024339 /nfs/dbraw/zinc/02/43/39/474024339.db2.gz QZMWTWZKNMHEPC-MRVPVSSYSA-N -1 3 342.252 2.525 20 30 EFEDHM N#Cc1ccccc1CSCCNC(=O)/C=C/c1cncc([O-])c1 ZINC000181808027 474064592 /nfs/dbraw/zinc/06/45/92/474064592.db2.gz FPCOTVOYASPYOC-AATRIKPKSA-N -1 3 339.420 2.722 20 30 EFEDHM CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(C)C ZINC000188384643 474078063 /nfs/dbraw/zinc/07/80/63/474078063.db2.gz KZYJCDKMKZJTSW-ZDUSSCGKSA-N -1 3 330.837 2.551 20 30 EFEDHM C=C[C@](C)(CC)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000288950543 474100711 /nfs/dbraw/zinc/10/07/11/474100711.db2.gz PCGNCHJMLPYAGP-MSOLQXFVSA-N -1 3 340.383 2.645 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000188505681 474113723 /nfs/dbraw/zinc/11/37/23/474113723.db2.gz URSLXBOCWBHWCG-INIZCTEOSA-N -1 3 340.420 2.807 20 30 EFEDHM COc1ccc(OC)c(CCC/N=C/c2ccc(O)c([O-])c2O)c1 ZINC000270451859 474124463 /nfs/dbraw/zinc/12/44/63/474124463.db2.gz UYVGWPRQEVMZDY-YBFXNURJSA-N -1 3 331.368 2.872 20 30 EFEDHM CN1CCC(N(Cc2ccco2)C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188625408 474145617 /nfs/dbraw/zinc/14/56/17/474145617.db2.gz AXPCOSSBXQAMKV-UHFFFAOYSA-N -1 3 339.395 2.593 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(c3cccc(F)c3)C2)c1[O-] ZINC000265214689 474169972 /nfs/dbraw/zinc/16/99/72/474169972.db2.gz PZSODCPJFWEGKH-YJCKXXIQSA-N -1 3 343.402 2.815 20 30 EFEDHM Cc1ncc(CO)c(/C=N/c2cccc(C[S@@](C)=O)c2C)c1[O-] ZINC000265268706 474172236 /nfs/dbraw/zinc/17/22/36/474172236.db2.gz LQBWUUYWORDBLM-YUGAPYPNSA-N -1 3 332.425 2.525 20 30 EFEDHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000225357927 474207452 /nfs/dbraw/zinc/20/74/52/474207452.db2.gz XUEHSXRWACMLQA-UFBFGSQYSA-N -1 3 347.209 2.559 20 30 EFEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)s1)c1cccs1 ZINC000230343427 474259632 /nfs/dbraw/zinc/25/96/32/474259632.db2.gz KYDWTCSIQBZHHL-UHFFFAOYSA-N -1 3 326.468 2.937 20 30 EFEDHM CC(C)(C#N)c1ccccc1CN1CCCC[C@@H]1c1nc(=O)[n-][nH]1 ZINC000289419230 474261463 /nfs/dbraw/zinc/26/14/63/474261463.db2.gz UMIJSYONAJOZDI-OAHLLOKOSA-N -1 3 325.416 2.626 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2c(F)cccc2Cl)c1[O-] ZINC000265864990 474366545 /nfs/dbraw/zinc/36/65/45/474366545.db2.gz NXYXTLVDYYTVJE-RFYAOSGFSA-N -1 3 338.766 2.533 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2)c(Cl)c1 ZINC000183430131 474379915 /nfs/dbraw/zinc/37/99/15/474379915.db2.gz NVOJCZCELQUDIX-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#Cc1ccccc1CS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000283427416 474401039 /nfs/dbraw/zinc/40/10/39/474401039.db2.gz PTJARMOKPZNHLP-UHFFFAOYSA-N -1 3 344.440 2.773 20 30 EFEDHM N#Cc1ccccc1CS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000283427416 474401048 /nfs/dbraw/zinc/40/10/48/474401048.db2.gz PTJARMOKPZNHLP-UHFFFAOYSA-N -1 3 344.440 2.773 20 30 EFEDHM CN(C)C1(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])Cc2ccccc2C1 ZINC000266020268 474416300 /nfs/dbraw/zinc/41/63/00/474416300.db2.gz TXJVMVLVVXLGOT-UDWIEESQSA-N -1 3 339.395 2.819 20 30 EFEDHM C[C@@H]1CN(c2ccc(C([O-])=C(C#N)c3ccccn3)cn2)C[C@H](C)O1 ZINC000248775028 474432172 /nfs/dbraw/zinc/43/21/72/474432172.db2.gz RXGVFODNBUDELA-IJEWVQPXSA-N -1 3 336.395 2.580 20 30 EFEDHM CCOc1ccccc1C(F)(F)C(=O)[N-][C@](C)(C#N)CSC ZINC000289839283 474450849 /nfs/dbraw/zinc/45/08/49/474450849.db2.gz DQZWPVJYPPGQIN-CQSZACIVSA-N -1 3 328.384 2.939 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1[O-] ZINC000189924467 474507516 /nfs/dbraw/zinc/50/75/16/474507516.db2.gz QTZMWRIUSYFOCZ-SFHVURJKSA-N -1 3 335.407 2.831 20 30 EFEDHM O=C(CSCCOCC(F)(F)C(F)(F)F)[N-]CC(F)(F)F ZINC000190131090 474551187 /nfs/dbraw/zinc/55/11/87/474551187.db2.gz OOXXNJZLXWZBOZ-UHFFFAOYSA-N -1 3 349.243 2.612 20 30 EFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276964142 474574372 /nfs/dbraw/zinc/57/43/72/474574372.db2.gz VYBXFIYXQLAWGU-SSDOTTSWSA-N -1 3 337.626 2.683 20 30 EFEDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000271528526 474580457 /nfs/dbraw/zinc/58/04/57/474580457.db2.gz BRIYGXDVLYJNDF-KBPBESRZSA-N -1 3 342.848 2.694 20 30 EFEDHM COc1cncc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)n1 ZINC000277278523 474581070 /nfs/dbraw/zinc/58/10/70/474581070.db2.gz PJLPATBAILEIJT-LLVKDONJSA-N -1 3 328.397 2.989 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCO[C@H](C(C)C)C1 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CC(C)Oc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000347837170 475345720 /nfs/dbraw/zinc/34/57/20/475345720.db2.gz WCLKHVXZUGWRBD-AWEZNQCLSA-N -1 3 339.399 2.677 20 30 EFEDHM N#CC(=C([O-])c1ccc2oc(=O)[nH]c2c1)c1cnc2ccccc2n1 ZINC000347841392 475348499 /nfs/dbraw/zinc/34/84/99/475348499.db2.gz OSEQEIDJSYCIGF-NSHDSACASA-N -1 3 330.303 2.967 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCC(=O)c1cccc(OC(F)F)c1 ZINC000348132284 475414783 /nfs/dbraw/zinc/41/47/83/475414783.db2.gz JRQDVPRLGWEXTP-UHFFFAOYSA-N -1 3 341.339 2.746 20 30 EFEDHM C=CCn1cccc1-c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000345801614 475462654 /nfs/dbraw/zinc/46/26/54/475462654.db2.gz MYNVEILHBORTLE-UHFFFAOYSA-N -1 3 344.396 2.763 20 30 EFEDHM COCC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)(C)C ZINC000337961238 475464251 /nfs/dbraw/zinc/46/42/51/475464251.db2.gz HNTWMMGJISAJJY-CQSZACIVSA-N -1 3 344.864 2.941 20 30 EFEDHM COCC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)(C)C ZINC000337961237 475464543 /nfs/dbraw/zinc/46/45/43/475464543.db2.gz 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EFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1CCCCC1 ZINC000340046045 475712640 /nfs/dbraw/zinc/71/26/40/475712640.db2.gz RUCGHRQVBRWLKG-UHFFFAOYSA-N -1 3 343.246 2.932 20 30 EFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000353164816 475736534 /nfs/dbraw/zinc/73/65/34/475736534.db2.gz GKBIQXSFXHFXLL-NSHDSACASA-N -1 3 331.821 2.760 20 30 EFEDHM CSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000355322579 475827343 /nfs/dbraw/zinc/82/73/43/475827343.db2.gz ZFXWRPFSMPAMJI-LLVKDONJSA-N -1 3 333.438 2.715 20 30 EFEDHM Cc1nc(-c2ccc(NC(=O)NCC(C)(C)C#N)cc2)cc(=O)[n-]1 ZINC000348809352 475867563 /nfs/dbraw/zinc/86/75/63/475867563.db2.gz XRDBZKCFMKJXSH-UHFFFAOYSA-N -1 3 325.372 2.829 20 30 EFEDHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)C[C@H](C)O1 ZINC000338424228 475892138 /nfs/dbraw/zinc/89/21/38/475892138.db2.gz MVQXLFCWNAGENK-CLLJXQQHSA-N -1 3 340.420 2.569 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1cncs1 ZINC000338432794 475899828 /nfs/dbraw/zinc/89/98/28/475899828.db2.gz 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Cc1cc(=NC(=O)c2cc([O-])ccc2C(F)(F)F)[nH]n1CCC#N ZINC000338822869 476214555 /nfs/dbraw/zinc/21/45/55/476214555.db2.gz XGEJSQUILCGMKR-UHFFFAOYSA-N -1 3 338.289 2.504 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)CCOCC(F)(F)F)c(Cl)c1 ZINC000357168527 476273868 /nfs/dbraw/zinc/27/38/68/476273868.db2.gz IUPGMJVOSXMERJ-UHFFFAOYSA-N -1 3 342.726 2.532 20 30 EFEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000357172443 476275522 /nfs/dbraw/zinc/27/55/22/476275522.db2.gz HKKMLMKLJIWYBP-UHFFFAOYSA-N -1 3 328.393 2.993 20 30 EFEDHM C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1cccc(C#N)c1 ZINC000362508539 476290245 /nfs/dbraw/zinc/29/02/45/476290245.db2.gz YOQAEYUDGMTEGF-LBPRGKRZSA-N -1 3 343.408 2.672 20 30 EFEDHM N#Cc1cc(F)ccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000362534464 476299498 /nfs/dbraw/zinc/29/94/98/476299498.db2.gz QAVWKWKXUVGSFT-UHFFFAOYSA-N -1 3 325.259 2.734 20 30 EFEDHM N#CC[C@@H](CC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000353850934 476301157 /nfs/dbraw/zinc/30/11/57/476301157.db2.gz 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ZINC000451997541 476768505 /nfs/dbraw/zinc/76/85/05/476768505.db2.gz SIINARCMMCOYRD-ZDUSSCGKSA-N -1 3 337.401 2.714 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCCC3)C2)s1 ZINC000370466832 476824688 /nfs/dbraw/zinc/82/46/88/476824688.db2.gz BBUJZBZKBULIIO-LBPRGKRZSA-N -1 3 340.470 2.780 20 30 EFEDHM Cc1csc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000452740480 477066856 /nfs/dbraw/zinc/06/68/56/477066856.db2.gz FMEBNQPLUXXQGY-UHFFFAOYSA-N -1 3 329.425 2.895 20 30 EFEDHM CC#CCC[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC000416452847 477177254 /nfs/dbraw/zinc/17/72/54/477177254.db2.gz DUESBACLRIZPPA-UHFFFAOYSA-N -1 3 334.210 2.588 20 30 EFEDHM CC/C=C/C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000416492375 477185603 /nfs/dbraw/zinc/18/56/03/477185603.db2.gz CYFUVGFWLSAEQJ-ONEGZZNKSA-N -1 3 329.219 2.565 20 30 EFEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416498465 477189528 /nfs/dbraw/zinc/18/95/28/477189528.db2.gz XLILBMKQBBWYNP-UHFFFAOYSA-N -1 3 338.307 2.858 20 30 EFEDHM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000416503528 477190804 /nfs/dbraw/zinc/19/08/04/477190804.db2.gz QFZYJBRTUHAKQC-NSHDSACASA-N -1 3 342.848 2.695 20 30 EFEDHM COc1ccc([O-])c(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1 ZINC000371308677 477232108 /nfs/dbraw/zinc/23/21/08/477232108.db2.gz QSMIVOAWXCJHPC-UHFFFAOYSA-N -1 3 348.362 2.593 20 30 EFEDHM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C1CC1 ZINC000416599562 477234555 /nfs/dbraw/zinc/23/45/55/477234555.db2.gz PINGDQGIDGNRQK-BONVTDFDSA-N -1 3 342.848 2.694 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)OC(F)(F)O3)nc(C)n1 ZINC000453587148 477243516 /nfs/dbraw/zinc/24/35/16/477243516.db2.gz WONXGJNHOVDNOQ-NSHDSACASA-N -1 3 331.278 2.905 20 30 EFEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC(C)C ZINC000416645268 477247732 /nfs/dbraw/zinc/24/77/32/477247732.db2.gz JONMWQCNHVXOFR-CYBMUJFWSA-N -1 3 330.837 2.551 20 30 EFEDHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000416667770 477255871 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Cc1cc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1C#N ZINC000436715765 477569266 /nfs/dbraw/zinc/56/92/66/477569266.db2.gz MGDNFFYVPHOTRA-UHFFFAOYSA-N -1 3 335.407 2.530 20 30 EFEDHM N#Cc1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)c(Cl)c1 ZINC000436858697 477615333 /nfs/dbraw/zinc/61/53/33/477615333.db2.gz GWGLJAABHLLDST-UHFFFAOYSA-N -1 3 341.798 2.880 20 30 EFEDHM C=C[C@@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000436985975 477658649 /nfs/dbraw/zinc/65/86/49/477658649.db2.gz DSQPVMUBJAAYGL-LLVKDONJSA-N -1 3 345.424 2.643 20 30 EFEDHM CCc1cc(=O)[n-]c(-c2ccc(NCCc3cccc(C#N)c3)nc2)n1 ZINC000377143515 477663600 /nfs/dbraw/zinc/66/36/00/477663600.db2.gz YKUWWXBIMWVJRZ-UHFFFAOYSA-N -1 3 345.406 2.755 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)c(C(F)(F)F)c1 ZINC000425191172 477664971 /nfs/dbraw/zinc/66/49/71/477664971.db2.gz VBNHFZQLFWTQKI-GXSJLCMTSA-N -1 3 343.330 2.548 20 30 EFEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000425190249 477665471 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CC(C)(C[N-]S(=O)(=O)c1cccnc1C#N)Cc1ccccc1 ZINC000428260619 477854098 /nfs/dbraw/zinc/85/40/98/477854098.db2.gz NLMZPYZQCNGULV-UHFFFAOYSA-N -1 3 329.425 2.500 20 30 EFEDHM C=CCC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428373923 477879581 /nfs/dbraw/zinc/87/95/81/477879581.db2.gz MBNFUWJNUMUNLI-HNNXBMFYSA-N -1 3 327.409 2.939 20 30 EFEDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccnc1C#N)Cc1ccccc1 ZINC000428393957 477886176 /nfs/dbraw/zinc/88/61/76/477886176.db2.gz QVGMUEAIRBMGMY-MRXNPFEDSA-N -1 3 343.452 2.746 20 30 EFEDHM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428409738 477887301 /nfs/dbraw/zinc/88/73/01/477887301.db2.gz WGUOKFIBRKBGPB-ZDUSSCGKSA-N -1 3 347.465 2.721 20 30 EFEDHM CC[C@H](CSc1ccccc1)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428409501 477888191 /nfs/dbraw/zinc/88/81/91/477888191.db2.gz VZUJLUYHMLRNSO-CYBMUJFWSA-N -1 3 347.465 2.802 20 30 EFEDHM C=CCC1(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)CCCCC1 ZINC000456369983 477892535 /nfs/dbraw/zinc/89/25/35/477892535.db2.gz QPDZGLIYRLSEMB-UHFFFAOYSA-N -1 3 340.445 2.505 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1cc2c(c(Cl)c1)OCO2 ZINC000531850343 477914381 /nfs/dbraw/zinc/91/43/81/477914381.db2.gz WWEQPZCMCUSFHW-UHFFFAOYSA-N -1 3 325.777 2.844 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1cnc2c(cnn2C(C)C)c1 ZINC000532360533 477924292 /nfs/dbraw/zinc/92/42/92/477924292.db2.gz NAULBOZXGFLCQE-UHFFFAOYSA-N -1 3 330.417 2.788 20 30 EFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1COc2ccc(Cl)cc21 ZINC000451311385 477946581 /nfs/dbraw/zinc/94/65/81/477946581.db2.gz IMCNYXDJBLIIJK-GFCCVEGCSA-N -1 3 328.821 2.633 20 30 EFEDHM C=CCC1(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)CCCC1 ZINC000456486315 477952047 /nfs/dbraw/zinc/95/20/47/477952047.db2.gz NHQFUSDCYMLTKC-UHFFFAOYSA-N -1 3 336.457 2.924 20 30 EFEDHM CN(CCOCc1ccc(C#N)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459540964 477962554 /nfs/dbraw/zinc/96/25/54/477962554.db2.gz VYVAMPNJJIDBII-UHFFFAOYSA-N -1 3 338.411 2.580 20 30 EFEDHM N#Cc1cnccc1[N-]C(=O)c1cc(Br)c(F)cc1F ZINC000428729647 477970313 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CCOC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)CCC3)nc1 ZINC000459852790 478115216 /nfs/dbraw/zinc/11/52/16/478115216.db2.gz NVXOEHBWQGCLFN-UHFFFAOYSA-N -1 3 341.392 2.932 20 30 EFEDHM Cc1c(C#N)cccc1NC([O-])=NOC[C@@H](C)NC(=O)OC(C)(C)C ZINC000495191309 478137563 /nfs/dbraw/zinc/13/75/63/478137563.db2.gz QSARKWIWCOWPCA-LLVKDONJSA-N -1 3 348.403 2.833 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C ZINC000495191309 478137568 /nfs/dbraw/zinc/13/75/68/478137568.db2.gz QSARKWIWCOWPCA-LLVKDONJSA-N -1 3 348.403 2.833 20 30 EFEDHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)OC ZINC000451681339 478154785 /nfs/dbraw/zinc/15/47/85/478154785.db2.gz OHUAUHHYPKKKHF-GWCFXTLKSA-N -1 3 330.837 2.551 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc2[n-]nnc21 ZINC000561239996 478169439 /nfs/dbraw/zinc/16/94/39/478169439.db2.gz DTYKWPLOUQLVLD-UHFFFAOYSA-N -1 3 338.415 2.954 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc2nn[n-]c21 ZINC000561239996 478169447 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ZINC000589452277 479527478 /nfs/dbraw/zinc/52/74/78/479527478.db2.gz ISBPOERNLLJCSA-UHFFFAOYSA-N -1 3 345.362 2.931 20 30 EFEDHM Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21 ZINC000618717100 479564094 /nfs/dbraw/zinc/56/40/94/479564094.db2.gz VLVIUKVIKRQMLG-MRXNPFEDSA-N -1 3 330.384 2.972 20 30 EFEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576476606 479580017 /nfs/dbraw/zinc/58/00/17/479580017.db2.gz LOVQHKIDNZWLLM-DOTOQJQBSA-N -1 3 348.406 2.972 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000576476609 479580346 /nfs/dbraw/zinc/58/03/46/479580346.db2.gz LOVQHKIDNZWLLM-WBVHZDCISA-N -1 3 348.406 2.972 20 30 EFEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000576758983 479583338 /nfs/dbraw/zinc/58/33/38/479583338.db2.gz NGLOSCIBIQGSGF-UHFFFAOYSA-N -1 3 346.412 2.531 20 30 EFEDHM C=CCN(C(=O)c1cc([O-])cc(Br)c1)[C@@H](C)COC ZINC000628054963 479748792 /nfs/dbraw/zinc/74/87/92/479748792.db2.gz MJFKZDLBQAVCHD-JTQLQIEISA-N -1 3 328.206 2.818 20 30 EFEDHM COCCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461848 479800336 /nfs/dbraw/zinc/80/03/36/479800336.db2.gz SIGNELLUAAHDML-UHFFFAOYSA-N -1 3 346.408 2.579 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2cccnc2OCC(F)F)CCCC1 ZINC000625286048 479849913 /nfs/dbraw/zinc/84/99/13/479849913.db2.gz QJVPGSSTIZMZRI-UHFFFAOYSA-N -1 3 346.399 2.893 20 30 EFEDHM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000617467581 480230639 /nfs/dbraw/zinc/23/06/39/480230639.db2.gz DZMUQTQQHRETNS-UHFFFAOYSA-N -1 3 345.424 2.609 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000614295235 480257977 /nfs/dbraw/zinc/25/79/77/480257977.db2.gz HJJBHOBCSPESNL-SFHVURJKSA-N -1 3 335.407 2.658 20 30 EFEDHM CN(C)CCN(Cc1cccs1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614300560 480258948 /nfs/dbraw/zinc/25/89/48/480258948.db2.gz KSXRHBOECUAYNM-UHFFFAOYSA-N -1 3 329.425 2.529 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000614361249 480282297 /nfs/dbraw/zinc/28/22/97/480282297.db2.gz NMPMMYFNMHZSIO-LJQANCHMSA-N -1 3 335.407 2.831 20 30 EFEDHM CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614373844 480287221 /nfs/dbraw/zinc/28/72/21/480287221.db2.gz JNBZJLQQWBVTRG-UHFFFAOYSA-N -1 3 337.423 2.904 20 30 EFEDHM CC(=O)CCCCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000632415718 480563663 /nfs/dbraw/zinc/56/36/63/480563663.db2.gz LXPUDYOGVMOFCT-UHFFFAOYSA-N -1 3 328.821 2.639 20 30 EFEDHM C=CCC1(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])CCC1 ZINC000646200868 481154625 /nfs/dbraw/zinc/15/46/25/481154625.db2.gz MTCREXPYOAVJJT-STQMWFEESA-N -1 3 331.416 2.613 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000659802503 481561338 /nfs/dbraw/zinc/56/13/38/481561338.db2.gz XCRRCJISCCBTCF-XYPHTWIQSA-N -1 3 328.412 2.573 20 30 EFEDHM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3nnc4n3CCCCC4)n21 ZINC000651268185 481670778 /nfs/dbraw/zinc/67/07/78/481670778.db2.gz AAVLQWMMTVHHBK-CHWSQXEVSA-N -1 3 338.415 2.588 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000660141389 481784105 /nfs/dbraw/zinc/78/41/05/481784105.db2.gz CMEVBQLXVVEPCD-UHFFFAOYSA-N -1 3 345.436 2.874 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000660142894 481784328 /nfs/dbraw/zinc/78/43/28/481784328.db2.gz GZDAUHRITGYFDZ-LLVKDONJSA-N -1 3 344.502 2.968 20 30 EFEDHM C=CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000666163861 482204696 /nfs/dbraw/zinc/20/46/96/482204696.db2.gz UMFKVYIONOATCX-UHFFFAOYSA-N -1 3 343.424 2.600 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000435592470 534323941 /nfs/dbraw/zinc/32/39/41/534323941.db2.gz LXJRNUYRFHEJNA-HZMBPMFUSA-N -1 3 333.812 2.739 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000435592471 534368705 /nfs/dbraw/zinc/36/87/05/534368705.db2.gz LXJRNUYRFHEJNA-IINYFYTJSA-N -1 3 333.812 2.739 20 30 EFEDHM C=CCC(C)(C)C(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422032891 534538128 /nfs/dbraw/zinc/53/81/28/534538128.db2.gz ANSIZJHFXGYENL-ZDUSSCGKSA-N -1 3 337.391 2.582 20 30 EFEDHM N#CC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CCC1 ZINC000158063304 534543514 /nfs/dbraw/zinc/54/35/14/534543514.db2.gz FZDNYDGGHYELAR-OAHLLOKOSA-N -1 3 347.846 2.820 20 30 EFEDHM C=CCC(C)(C)CNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000294066605 534549691 /nfs/dbraw/zinc/54/96/91/534549691.db2.gz BIYBBAQSVXJNJJ-UHFFFAOYSA-N -1 3 328.409 2.529 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)CC1 ZINC000166226978 534561724 /nfs/dbraw/zinc/56/17/24/534561724.db2.gz USVHHSOFQDJNKJ-INIZCTEOSA-N -1 3 345.399 2.533 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-][C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000294450208 534577414 /nfs/dbraw/zinc/57/74/14/534577414.db2.gz GWWMPOPVCAAJSO-GXTWGEPZSA-N -1 3 344.308 2.564 20 30 EFEDHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)c1ccc(C#N)cc1 ZINC000118174086 521748860 /nfs/dbraw/zinc/74/88/60/521748860.db2.gz PATJAOLVZDFNCI-JTQLQIEISA-N -1 3 329.381 2.590 20 30 EFEDHM C=CCC1(C(=O)NC[C@@H](Cc2ccc([O-])c(F)c2)C(=O)OC)CCC1 ZINC000422033549 534587442 /nfs/dbraw/zinc/58/74/42/534587442.db2.gz CFFWEUDDVNIZRF-CQSZACIVSA-N -1 3 349.402 2.726 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000343254405 534752082 /nfs/dbraw/zinc/75/20/82/534752082.db2.gz VDYFBKCXUJRTOY-LLVKDONJSA-N -1 3 328.409 2.672 20 30 EFEDHM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H](C)C1 ZINC000157534485 524618026 /nfs/dbraw/zinc/61/80/26/524618026.db2.gz QVFYTJZHCLIIDT-NQBHXWOUSA-N -1 3 337.401 2.569 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000078125491 525403629 /nfs/dbraw/zinc/40/36/29/525403629.db2.gz QOWCVUSWCRANDG-UHFFFAOYSA-N -1 3 349.312 2.852 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc(CN3CCCC3=O)cc2)nc(C)n1 ZINC000049405184 525444812 /nfs/dbraw/zinc/44/48/12/525444812.db2.gz AROKNDZMADXKTC-QGZVFWFLSA-N -1 3 348.406 2.706 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1c(F)cccc1Cl ZINC000177581423 525505869 /nfs/dbraw/zinc/50/58/69/525505869.db2.gz KQOKLFZISOBRLZ-VIFPVBQESA-N -1 3 339.779 2.785 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000156997031 526563894 /nfs/dbraw/zinc/56/38/94/526563894.db2.gz ADTXFNCBYKJUNZ-HNNXBMFYSA-N -1 3 346.383 2.890 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c(Cl)c1 ZINC000227303359 526682562 /nfs/dbraw/zinc/68/25/62/526682562.db2.gz VNEMIIGEOZDRAS-UHFFFAOYSA-N -1 3 326.727 2.832 20 30 EFEDHM C=CCOCCCC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000173565244 526743738 /nfs/dbraw/zinc/74/37/38/526743738.db2.gz FPLYWNVYNXMEFN-UHFFFAOYSA-N -1 3 341.411 2.921 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000186014353 527137728 /nfs/dbraw/zinc/13/77/28/527137728.db2.gz UYOOKWHMMXZGSQ-VIFPVBQESA-N -1 3 346.246 2.627 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCc1cccc(OCC(F)(F)F)c1 ZINC000163480637 527284384 /nfs/dbraw/zinc/28/43/84/527284384.db2.gz DHRADANLBNIZCY-UHFFFAOYSA-N -1 3 345.346 2.991 20 30 EFEDHM CCC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCC1 ZINC000154847457 527706772 /nfs/dbraw/zinc/70/67/72/527706772.db2.gz ZXHNFYNIPDUPHG-UHFFFAOYSA-N -1 3 329.444 2.883 20 30 EFEDHM CCCCOCCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000166454039 528587469 /nfs/dbraw/zinc/58/74/69/528587469.db2.gz NIAKDZQJCQUBOJ-UHFFFAOYSA-N -1 3 330.837 2.697 20 30 EFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000160796556 529269943 /nfs/dbraw/zinc/26/99/43/529269943.db2.gz OMLOEZPNWVRXIT-QMMMGPOBSA-N -1 3 326.727 2.939 20 30 EFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000160798460 529270179 /nfs/dbraw/zinc/27/01/79/529270179.db2.gz WFOYJBHZCAFOGU-QMMMGPOBSA-N -1 3 326.727 2.939 20 30 EFEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)CC(C)(C)CC#N)n1 ZINC000295759224 535149714 /nfs/dbraw/zinc/14/97/14/535149714.db2.gz RLZAGSLNLZIXLO-UHFFFAOYSA-N -1 3 329.491 2.800 20 30 EFEDHM CCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000344190331 535245320 /nfs/dbraw/zinc/24/53/20/535245320.db2.gz QNSSMRQVCOJNBG-UHFFFAOYSA-N -1 3 334.397 2.727 20 30 EFEDHM CC[C@H](CC#N)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000354808223 536052432 /nfs/dbraw/zinc/05/24/32/536052432.db2.gz WHZCXEQGKGUXDR-CYBMUJFWSA-N -1 3 325.372 2.971 20 30 EFEDHM CCn1nc(C)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000266181844 536139499 /nfs/dbraw/zinc/13/94/99/536139499.db2.gz SKVZCROGABCSGY-UHFFFAOYSA-N -1 3 341.415 2.680 20 30 EFEDHM CNC(=O)c1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000362129375 536437192 /nfs/dbraw/zinc/43/71/92/536437192.db2.gz LVYPERALGZUSJX-CYBMUJFWSA-N -1 3 347.296 2.950 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc(C(C)(C)C)cs1 ZINC000330667367 537708837 /nfs/dbraw/zinc/70/88/37/537708837.db2.gz IVUSPAJQAUDPAW-SECBINFHSA-N -1 3 339.442 2.945 20 30 EFEDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000330629008 538120181 /nfs/dbraw/zinc/12/01/81/538120181.db2.gz MJOSTZWWQWPVLM-FZMZJTMJSA-N -1 3 342.848 2.694 20 30 EFEDHM N#CC(=C([O-])c1ccc(OCc2cccnc2)cc1)c1ccncn1 ZINC000680617528 549359617 /nfs/dbraw/zinc/35/96/17/549359617.db2.gz SUNWLSASMHUVHD-QGZVFWFLSA-N -1 3 330.347 2.941 20 30 EFEDHM C=C[C@H](CCC(=O)[O-])NCc1cc2c(c(Br)c1)OCO2 ZINC000417627470 546210398 /nfs/dbraw/zinc/21/03/98/546210398.db2.gz PNZZZMWVYIEGMZ-SNVBAGLBSA-N -1 3 342.189 2.687 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCOCC1 ZINC000657128055 547039792 /nfs/dbraw/zinc/03/97/92/547039792.db2.gz QEOVQHMIMAKCAI-UHFFFAOYSA-N -1 3 333.812 2.883 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000678845774 549002955 /nfs/dbraw/zinc/00/29/55/549002955.db2.gz PGCSTPGYWXXNHL-NSHDSACASA-N -1 3 328.409 2.807 20 30 EFEDHM C=CCOc1cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000685505452 550159387 /nfs/dbraw/zinc/15/93/87/550159387.db2.gz OFNMDIVOXQVHTL-UHFFFAOYSA-N -1 3 339.335 2.572 20 30 EFEDHM CCCCCCCOC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000754523547 575447000 /nfs/dbraw/zinc/44/70/00/575447000.db2.gz PGIMHNIMEMEPJO-SFHVURJKSA-N -1 3 332.400 2.868 20 30 EFEDHM COC(=O)[C@@H](CC1CCCCC1)/N=C\c1c([O-])c(C)ncc1CO ZINC000754825715 575497216 /nfs/dbraw/zinc/49/72/16/575497216.db2.gz ASIBRVYBZKYCTM-HSGPEQJXSA-N -1 3 334.416 2.519 20 30 EFEDHM N#CCCCCOC(=O)c1cccc(I)c1[O-] ZINC000755149427 575551462 /nfs/dbraw/zinc/55/14/62/575551462.db2.gz XDCWHLAYVVMQCJ-UHFFFAOYSA-N -1 3 345.136 2.847 20 30 EFEDHM [O-]c1c(Br)cc(O)cc1CN=Nc1ccc(Cl)nn1 ZINC000755480150 575590221 /nfs/dbraw/zinc/59/02/21/575590221.db2.gz CNUPKWWZEGVPAQ-UHFFFAOYSA-N -1 3 343.568 2.750 20 30 EFEDHM [O-]c1c(Br)cc(O)cc1CN=Nc1cncc(Cl)n1 ZINC000755639164 575611796 /nfs/dbraw/zinc/61/17/96/575611796.db2.gz FNFUMCFJSCSBEK-UHFFFAOYSA-N -1 3 343.568 2.750 20 30 EFEDHM O=S(=O)(c1ccc(NN=Cc2ccc([O-])c(F)c2)cc1)C(F)F ZINC000755681541 575618060 /nfs/dbraw/zinc/61/80/60/575618060.db2.gz BOSKYSUXFUKCMM-UHFFFAOYSA-N -1 3 344.314 2.974 20 30 EFEDHM COc1ccc(NC(=S)NN=Cc2ccc([O-])c(F)c2)cc1F ZINC000755689371 575618808 /nfs/dbraw/zinc/61/88/08/575618808.db2.gz OWVXFYHIUAYCIH-UHFFFAOYSA-N -1 3 337.351 3.000 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2ccc(F)c(C#N)c2)cc1 ZINC000756264818 575709562 /nfs/dbraw/zinc/70/95/62/575709562.db2.gz ZUARBTZUTMKIHZ-YCRREMRBSA-N -1 3 344.367 2.965 20 30 EFEDHM C#CCOCCC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000756308654 575715123 /nfs/dbraw/zinc/71/51/23/575715123.db2.gz NMGUCQQVEDAADI-SNVBAGLBSA-N -1 3 334.397 2.658 20 30 EFEDHM CC(=O)N1CC[C@@H](/N=C/c2c([O-])c(C)ncc2CO)c2ccccc21 ZINC000756845672 575791233 /nfs/dbraw/zinc/79/12/33/575791233.db2.gz DZBLVRZNBWYVGW-LYUVJKPTSA-N -1 3 339.395 2.505 20 30 EFEDHM Cc1cc(Cl)cc(C)c1CN=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000756889230 575797138 /nfs/dbraw/zinc/79/71/38/575797138.db2.gz IXEBQSCBSSGCSO-UHFFFAOYSA-N -1 3 330.779 2.785 20 30 EFEDHM C#CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000756974705 575806923 /nfs/dbraw/zinc/80/69/23/575806923.db2.gz HPMWERYUSNLJML-AWEZNQCLSA-N -1 3 330.365 2.638 20 30 EFEDHM COC(=O)c1ccc([N-]N=C2C(=O)Nc3c2c(Cl)ccc3C)nc1 ZINC000758141418 575861111 /nfs/dbraw/zinc/86/11/11/575861111.db2.gz SBATZYIYCYWUSY-UHFFFAOYSA-N -1 3 344.758 2.598 20 30 EFEDHM Cc1cc([O-])ccc1C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000758528935 575871665 /nfs/dbraw/zinc/87/16/65/575871665.db2.gz DXAGKIDKSIQZPF-UHFFFAOYSA-N -1 3 335.319 2.979 20 30 EFEDHM Cc1cc([O-])ccc1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000758532140 575871842 /nfs/dbraw/zinc/87/18/42/575871842.db2.gz UHFHOSWGLHCHCW-QGZVFWFLSA-N -1 3 336.347 2.535 20 30 EFEDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2cccc(F)c2C#N)n1 ZINC000758589083 575873499 /nfs/dbraw/zinc/87/34/99/575873499.db2.gz ZCYRVWLLRSZXMB-SECBINFHSA-N -1 3 339.417 2.544 20 30 EFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)C1=CCCC1 ZINC000759234653 575887461 /nfs/dbraw/zinc/88/74/61/575887461.db2.gz HRYKNLLPMJGDER-CYBMUJFWSA-N -1 3 328.368 2.810 20 30 EFEDHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C1=CCCC1 ZINC000759234653 575887462 /nfs/dbraw/zinc/88/74/62/575887462.db2.gz HRYKNLLPMJGDER-CYBMUJFWSA-N -1 3 328.368 2.810 20 30 EFEDHM N#CCCCCOC(=O)c1ccc(I)c([O-])c1 ZINC000760821443 576077651 /nfs/dbraw/zinc/07/76/51/576077651.db2.gz ZQPSWRZGHOMOAF-UHFFFAOYSA-N -1 3 345.136 2.847 20 30 EFEDHM COc1ccc(/C=C\C(=O)c2cnccn2)c(Br)c1[O-] ZINC000761013069 576101098 /nfs/dbraw/zinc/10/10/98/576101098.db2.gz UTNWVWQEDYNOTR-RQOWECAXSA-N -1 3 335.157 2.849 20 30 EFEDHM COC(=O)[C@H](CC(F)F)/N=C\c1cc(Br)ccc1[O-] ZINC000761181142 576126552 /nfs/dbraw/zinc/12/65/52/576126552.db2.gz OANCTFNRGFKIPG-OKPUJGNGSA-N -1 3 336.132 2.770 20 30 EFEDHM C#CCCCCCc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000761526387 576174890 /nfs/dbraw/zinc/17/48/90/576174890.db2.gz ARAPKVVKEFNASE-UHFFFAOYSA-N -1 3 333.413 2.844 20 30 EFEDHM COc1cc(C=NNc2ccc(F)cc2OC)c([N+](=O)[O-])cc1[O-] ZINC000761885209 576225029 /nfs/dbraw/zinc/22/50/29/576225029.db2.gz OUOLBCOQLKMVHM-UHFFFAOYSA-N -1 3 335.291 2.903 20 30 EFEDHM Cc1ccc2c(c1)OCCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000763164004 576365172 /nfs/dbraw/zinc/36/51/72/576365172.db2.gz UWOZJXWQXBYHDJ-UHFFFAOYSA-N -1 3 344.436 2.991 20 30 EFEDHM COc1nccnc1N=NC(C)c1ccc(Br)cc1[O-] ZINC000763412235 576376386 /nfs/dbraw/zinc/37/63/86/576376386.db2.gz OMJOIPCVHYWGFI-UHFFFAOYSA-N -1 3 337.177 2.789 20 30 EFEDHM Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc2occc2[n-]1 ZINC000764447855 576458749 /nfs/dbraw/zinc/45/87/49/576458749.db2.gz FKEOVWYPJFQXCX-UHFFFAOYSA-N -1 3 332.323 2.774 20 30 EFEDHM CC(=N[N-]S(C)(=O)=O)c1ccc(OCc2cccc(C)c2)cc1 ZINC000764708738 576491781 /nfs/dbraw/zinc/49/17/81/576491781.db2.gz RHKWDZXQICXANC-UHFFFAOYSA-N -1 3 332.425 2.847 20 30 EFEDHM C#CCCOC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000765440788 577042659 /nfs/dbraw/zinc/04/26/59/577042659.db2.gz PQUKQPZSZBJZON-GOSISDBHSA-N -1 3 337.375 2.820 20 30 EFEDHM C=CCCC[C@H](C)OC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000765486765 577046279 /nfs/dbraw/zinc/04/62/79/577046279.db2.gz NNWVVGNJTAEIRE-KPZWWZAWSA-N -1 3 330.384 2.643 20 30 EFEDHM COc1ccc(/C=C/C(=O)c2ccnn2C)c(Br)c1[O-] ZINC000766035136 577100337 /nfs/dbraw/zinc/10/03/37/577100337.db2.gz ZZLXKGDRLMDZMH-HWKANZROSA-N -1 3 337.173 2.793 20 30 EFEDHM Cc1cc(=O)[n-]c(N=NC2C[C@H](C)CN(Cc3ccccc3)C2)n1 ZINC000767352339 577205752 /nfs/dbraw/zinc/20/57/52/577205752.db2.gz RDRGVFHTYKQGHY-ZDUSSCGKSA-N -1 3 325.416 2.801 20 30 EFEDHM CCCCOc1ccccc1CN=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000767376619 577206715 /nfs/dbraw/zinc/20/67/15/577206715.db2.gz BGPNQSSRQFJCEX-UHFFFAOYSA-N -1 3 340.387 2.694 20 30 EFEDHM COc1ccc(NN=C2C(=O)[N-]c3c2c(C)ccc3F)c([N+](=O)[O-])c1 ZINC000767801472 577234795 /nfs/dbraw/zinc/23/47/95/577234795.db2.gz MQKRXXSLAFIFQA-UHFFFAOYSA-N -1 3 344.302 2.819 20 30 EFEDHM COc1cccc([C@@H](C#N)NC(=O)c2ccc(C)cc2[O-])c1OC ZINC000768151015 577257861 /nfs/dbraw/zinc/25/78/61/577257861.db2.gz CNDHBOJUYMNBNA-CQSZACIVSA-N -1 3 326.352 2.713 20 30 EFEDHM COc1cccc([O-])c1CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000768186930 577259956 /nfs/dbraw/zinc/25/99/56/577259956.db2.gz YBPJTGOLGGCRPS-UHFFFAOYSA-N -1 3 337.423 2.590 20 30 EFEDHM C[C@H]1CCC[C@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000768364544 577268701 /nfs/dbraw/zinc/26/87/01/577268701.db2.gz KCSIKQKPZFNEPP-JSGCOSHPSA-N -1 3 339.417 2.826 20 30 EFEDHM C=CCn1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1ccccn1 ZINC000768417688 577272485 /nfs/dbraw/zinc/27/24/85/577272485.db2.gz LCSKNVACFRAOIX-UHFFFAOYSA-N -1 3 340.412 2.622 20 30 EFEDHM CC(C)(C#N)CCCCOC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000768457758 577275474 /nfs/dbraw/zinc/27/54/74/577275474.db2.gz FNPMFYLBPGGGDT-UHFFFAOYSA-N -1 3 338.429 2.935 20 30 EFEDHM O=S(=O)(c1ccc(NN=Cc2cccc(O)c2[O-])cc1)C(F)F ZINC000726426588 577365415 /nfs/dbraw/zinc/36/54/15/577365415.db2.gz VGMBNTLHMFDWLB-UHFFFAOYSA-N -1 3 342.323 2.540 20 30 EFEDHM C#C[C@@H](C)N(C)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000769655801 577377082 /nfs/dbraw/zinc/37/70/82/577377082.db2.gz IYFAWRWDLVXXDA-SECBINFHSA-N -1 3 338.285 2.520 20 30 EFEDHM CCn1nc(C=N[N-]S(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000769779376 577384673 /nfs/dbraw/zinc/38/46/73/577384673.db2.gz DPKZDTCFEYOFDY-UHFFFAOYSA-N -1 3 342.424 2.510 20 30 EFEDHM Cc1cc(C)n(N=Cc2cc([O-])ccc2Br)c(=O)c1C#N ZINC000769796631 577385827 /nfs/dbraw/zinc/38/58/27/577385827.db2.gz KSKGQVIITKRZAF-UHFFFAOYSA-N -1 3 346.184 2.687 20 30 EFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000770363740 577413043 /nfs/dbraw/zinc/41/30/43/577413043.db2.gz GMGWOTKNUNESDF-JTQLQIEISA-N -1 3 326.780 2.717 20 30 EFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000770390992 577414985 /nfs/dbraw/zinc/41/49/85/577414985.db2.gz PPELBRAXLCZCSV-SNVBAGLBSA-N -1 3 346.246 2.538 20 30 EFEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1cccnc1Cl ZINC000738376197 577422991 /nfs/dbraw/zinc/42/29/91/577422991.db2.gz HWGJJACFFICSSO-UHFFFAOYSA-N -1 3 338.816 2.778 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770569243 581111591 /nfs/dbraw/zinc/11/15/91/581111591.db2.gz TWRDKOPVRAYQBN-NXLQUEFTSA-N -1 3 340.217 2.912 20 30 EFEDHM CN1CCN(c2ccc(/C=C3/Cc4c(cccc4[O-])C3=O)cc2)CC1 ZINC000771518956 581220324 /nfs/dbraw/zinc/22/03/24/581220324.db2.gz XRVBOWUIKHJLHS-SSZFMOIBSA-N -1 3 334.419 2.966 20 30 EFEDHM Cc1cc(C/N=C/c2cc(Cl)ccc2[O-])ccc1S(N)(=O)=O ZINC000772152542 581289089 /nfs/dbraw/zinc/28/90/89/581289089.db2.gz BNTVXYDINJSMEY-GIJQJNRQSA-N -1 3 338.816 2.621 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2cncnc2c1 ZINC000772507485 581332535 /nfs/dbraw/zinc/33/25/35/581332535.db2.gz INEOCGQMMDIDQE-UHFFFAOYSA-N -1 3 348.362 2.757 20 30 EFEDHM N#Cc1ccc(-c2nnc(COC(=O)c3c([O-])cccc3F)o2)cc1 ZINC000772577934 581342914 /nfs/dbraw/zinc/34/29/14/581342914.db2.gz IJNNVWHLMUKYNM-UHFFFAOYSA-N -1 3 339.282 2.810 20 30 EFEDHM N#Cc1cccc(-c2nnc(COC(=O)c3c([O-])cccc3F)o2)c1 ZINC000772582580 581343557 /nfs/dbraw/zinc/34/35/57/581343557.db2.gz ZMQJNAXYYKCFQH-UHFFFAOYSA-N -1 3 339.282 2.810 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2ccc(C#N)cc2F)cc1 ZINC000772808645 581370453 /nfs/dbraw/zinc/37/04/53/581370453.db2.gz UZVNQFACWCXDAV-RMKNXTFCSA-N -1 3 344.367 2.965 20 30 EFEDHM C#CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000773292452 581414796 /nfs/dbraw/zinc/41/47/96/581414796.db2.gz VRNKFHZMCDJXTG-UHFFFAOYSA-N -1 3 326.468 2.870 20 30 EFEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)nn1C ZINC000773978276 581476496 /nfs/dbraw/zinc/47/64/96/581476496.db2.gz AZEQZHGXJYGTTN-AWEZNQCLSA-N -1 3 348.362 2.543 20 30 EFEDHM COc1cccc(NN=C2C(=O)[N-]c3c2cc([N+](=O)[O-])cc3F)c1 ZINC000774364793 581490261 /nfs/dbraw/zinc/49/02/61/581490261.db2.gz SAFOJXXHVZWGCQ-UHFFFAOYSA-N -1 3 330.275 2.511 20 30 EFEDHM COc1ccc([C@@H](NCc2ccc(OCC#N)cc2)C(=O)[O-])cc1 ZINC000737971234 581506229 /nfs/dbraw/zinc/50/62/29/581506229.db2.gz QWVZMAYSUIXKMH-QGZVFWFLSA-N -1 3 326.352 2.513 20 30 EFEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C)c(C)c1O ZINC000819772652 607252527 /nfs/dbraw/zinc/25/25/27/607252527.db2.gz ILALWWVAYVIMOU-UHFFFAOYSA-N -1 3 336.399 2.703 20 30 EFEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C)c(C)c1O ZINC000819772652 607252528 /nfs/dbraw/zinc/25/25/28/607252528.db2.gz ILALWWVAYVIMOU-UHFFFAOYSA-N -1 3 336.399 2.703 20 30 EFEDHM C#CCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735376081 598851465 /nfs/dbraw/zinc/85/14/65/598851465.db2.gz WVWHIQBGRMEZFY-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM C#CCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735376081 598851467 /nfs/dbraw/zinc/85/14/67/598851467.db2.gz WVWHIQBGRMEZFY-UHFFFAOYSA-N -1 3 348.366 2.804 20 30 EFEDHM C=CCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735431890 598888345 /nfs/dbraw/zinc/88/83/45/598888345.db2.gz KHNJCSLUHYDZKR-UHFFFAOYSA-N -1 3 340.412 2.580 20 30 EFEDHM Cc1ccc2c(C=NNCc3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000822275003 607252760 /nfs/dbraw/zinc/25/27/60/607252760.db2.gz MTXOVMAQWDHKAB-UHFFFAOYSA-N -1 3 331.383 2.780 20 30 EFEDHM Cc1ccc2c(C=NNCc3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000822275003 607252761 /nfs/dbraw/zinc/25/27/61/607252761.db2.gz MTXOVMAQWDHKAB-UHFFFAOYSA-N -1 3 331.383 2.780 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)C(C)C ZINC000735421429 598907716 /nfs/dbraw/zinc/90/77/16/598907716.db2.gz ZJTJKYVFBIVHFM-AWEZNQCLSA-N -1 3 342.447 2.856 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)C(C)C ZINC000735421429 598907717 /nfs/dbraw/zinc/90/77/17/598907717.db2.gz ZJTJKYVFBIVHFM-AWEZNQCLSA-N -1 3 342.447 2.856 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(Cl)cc2F)ccc1-c1nnn[n-]1 ZINC000737708871 598919280 /nfs/dbraw/zinc/91/92/80/598919280.db2.gz JMDANQISMWDQAW-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(Cl)cc2F)ccc1-c1nn[n-]n1 ZINC000737708871 598919281 /nfs/dbraw/zinc/91/92/81/598919281.db2.gz JMDANQISMWDQAW-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM COc1cccc(F)c1C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821871504 607254027 /nfs/dbraw/zinc/25/40/27/607254027.db2.gz AAAVQNLVELFTSY-UHFFFAOYSA-N -1 3 340.362 2.528 20 30 EFEDHM COc1cccc(F)c1C(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821871504 607254028 /nfs/dbraw/zinc/25/40/28/607254028.db2.gz AAAVQNLVELFTSY-UHFFFAOYSA-N -1 3 340.362 2.528 20 30 EFEDHM C=CCOCCCC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819751212 599142573 /nfs/dbraw/zinc/14/25/73/599142573.db2.gz SMSVLEWZIFQHND-CQSZACIVSA-N -1 3 343.431 2.759 20 30 EFEDHM C=CCOCCCC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819751212 599142577 /nfs/dbraw/zinc/14/25/77/599142577.db2.gz SMSVLEWZIFQHND-CQSZACIVSA-N -1 3 343.431 2.759 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1-c1nnn[n-]1 ZINC000737715572 599197910 /nfs/dbraw/zinc/19/79/10/599197910.db2.gz BINNGLFXOGWUFJ-GOEBONIOSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1-c1nn[n-]n1 ZINC000737715572 599197913 /nfs/dbraw/zinc/19/79/13/599197913.db2.gz BINNGLFXOGWUFJ-GOEBONIOSA-N -1 3 336.399 2.893 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC000735416465 599276255 /nfs/dbraw/zinc/27/62/55/599276255.db2.gz LABIRNKRUXLGCL-LBPRGKRZSA-N -1 3 344.419 2.608 20 30 EFEDHM Cc1c(C(=O)C=Cc2cccc(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202582 598377284 /nfs/dbraw/zinc/37/72/84/598377284.db2.gz NQZFLEVODKMBKA-FPLPWBNLSA-N -1 3 337.358 2.958 20 30 EFEDHM Cc1c(C(=O)C=Cc2cccc(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202582 598377285 /nfs/dbraw/zinc/37/72/85/598377285.db2.gz NQZFLEVODKMBKA-FPLPWBNLSA-N -1 3 337.358 2.958 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1 ZINC000735419759 598416157 /nfs/dbraw/zinc/41/61/57/598416157.db2.gz ZTPZBGDAONFEOV-GFCCVEGCSA-N -1 3 329.429 2.548 20 30 EFEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1 ZINC000735419759 598416158 /nfs/dbraw/zinc/41/61/58/598416158.db2.gz ZTPZBGDAONFEOV-GFCCVEGCSA-N -1 3 329.429 2.548 20 30 EFEDHM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735380213 598432080 /nfs/dbraw/zinc/43/20/80/598432080.db2.gz FPIWKAOCSTXMCI-CYBMUJFWSA-N -1 3 348.362 2.797 20 30 EFEDHM C#CCOc1cccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735380213 598432082 /nfs/dbraw/zinc/43/20/82/598432082.db2.gz FPIWKAOCSTXMCI-CYBMUJFWSA-N -1 3 348.362 2.797 20 30 EFEDHM C[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000736150406 598487372 /nfs/dbraw/zinc/48/73/72/598487372.db2.gz NOBBVMTWKYJXBT-ZDUSSCGKSA-N -1 3 347.378 2.975 20 30 EFEDHM C[C@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000736150406 598487375 /nfs/dbraw/zinc/48/73/75/598487375.db2.gz NOBBVMTWKYJXBT-ZDUSSCGKSA-N -1 3 347.378 2.975 20 30 EFEDHM C#CCOc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735380095 598494343 /nfs/dbraw/zinc/49/43/43/598494343.db2.gz CFVYIAUEHHERBW-GHXNOFRVSA-N -1 3 345.362 2.531 20 30 EFEDHM C#CCOc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735380095 598494344 /nfs/dbraw/zinc/49/43/44/598494344.db2.gz CFVYIAUEHHERBW-GHXNOFRVSA-N -1 3 345.362 2.531 20 30 EFEDHM CC[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccccc1 ZINC000736393313 598568985 /nfs/dbraw/zinc/56/89/85/598568985.db2.gz WIWVQXAYUBYSOW-CYBMUJFWSA-N -1 3 337.412 2.959 20 30 EFEDHM CC[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccccc1 ZINC000736393313 598568987 /nfs/dbraw/zinc/56/89/87/598568987.db2.gz WIWVQXAYUBYSOW-CYBMUJFWSA-N -1 3 337.412 2.959 20 30 EFEDHM CC(=NNCCCOc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735451337 598787260 /nfs/dbraw/zinc/78/72/60/598787260.db2.gz YAYZOQJCPTVJFL-UHFFFAOYSA-N -1 3 336.399 2.649 20 30 EFEDHM CC(=NNCCCOc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451337 598787262 /nfs/dbraw/zinc/78/72/62/598787262.db2.gz YAYZOQJCPTVJFL-UHFFFAOYSA-N -1 3 336.399 2.649 20 30 EFEDHM C=CCCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735413259 599491596 /nfs/dbraw/zinc/49/15/96/599491596.db2.gz RCEFFHLVCIJXGO-UHFFFAOYSA-N -1 3 331.424 2.853 20 30 EFEDHM C=CCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735413259 599491598 /nfs/dbraw/zinc/49/15/98/599491598.db2.gz RCEFFHLVCIJXGO-UHFFFAOYSA-N -1 3 331.424 2.853 20 30 EFEDHM C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820326816 599506221 /nfs/dbraw/zinc/50/62/21/599506221.db2.gz ACFWHEKXYXMVGN-CYBMUJFWSA-N -1 3 346.394 2.548 20 30 EFEDHM C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820326816 599506224 /nfs/dbraw/zinc/50/62/24/599506224.db2.gz ACFWHEKXYXMVGN-CYBMUJFWSA-N -1 3 346.394 2.548 20 30 EFEDHM C=CCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819759278 599535154 /nfs/dbraw/zinc/53/51/54/599535154.db2.gz RPTHEQJWNBWPKV-ZDUSSCGKSA-N -1 3 349.394 2.923 20 30 EFEDHM C=CCOc1ccc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819759278 599535157 /nfs/dbraw/zinc/53/51/57/599535157.db2.gz RPTHEQJWNBWPKV-ZDUSSCGKSA-N -1 3 349.394 2.923 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000736095383 599995647 /nfs/dbraw/zinc/99/56/47/599995647.db2.gz SXQYYBWBLOVZAY-UHFFFAOYSA-N -1 3 345.443 2.866 20 30 EFEDHM N#CCC[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381695 607429613 /nfs/dbraw/zinc/42/96/13/607429613.db2.gz VMEMNHGYFDUGAM-KRWDZBQOSA-N -1 3 346.394 2.570 20 30 EFEDHM N#CCC[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826381695 607429615 /nfs/dbraw/zinc/42/96/15/607429615.db2.gz VMEMNHGYFDUGAM-KRWDZBQOSA-N -1 3 346.394 2.570 20 30 EFEDHM CC(C)(C)OC(=O)C1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736261688 600567413 /nfs/dbraw/zinc/56/74/13/600567413.db2.gz FXFIXIDWSQNZOM-INIZCTEOSA-N -1 3 344.411 2.738 20 30 EFEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000736662284 600594223 /nfs/dbraw/zinc/59/42/23/600594223.db2.gz NHKWGNZKTLTFTD-BUXKBTBVSA-N -1 3 349.390 2.919 20 30 EFEDHM O=C1c2cc(F)ccc2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503022 607460612 /nfs/dbraw/zinc/46/06/12/607460612.db2.gz AHYDIPOQSXCQIR-WZUFQYTHSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cc(F)ccc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503022 607460614 /nfs/dbraw/zinc/46/06/14/607460614.db2.gz AHYDIPOQSXCQIR-WZUFQYTHSA-N -1 3 340.289 2.804 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000830253864 601236204 /nfs/dbraw/zinc/23/62/04/601236204.db2.gz OSIRVBPVNGPREM-IIAWOOMASA-N -1 3 342.395 2.787 20 30 EFEDHM CCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000830253867 601236279 /nfs/dbraw/zinc/23/62/79/601236279.db2.gz OSIRVBPVNGPREM-SQWLQELKSA-N -1 3 342.395 2.787 20 30 EFEDHM CC(C)c1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000820206434 607499623 /nfs/dbraw/zinc/49/96/23/607499623.db2.gz KKUDJQCDCHGGNJ-UHFFFAOYSA-N -1 3 339.384 2.571 20 30 EFEDHM CC(C)c1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000820206434 607499625 /nfs/dbraw/zinc/49/96/25/607499625.db2.gz KKUDJQCDCHGGNJ-UHFFFAOYSA-N -1 3 339.384 2.571 20 30 EFEDHM COc1ccc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1F ZINC000832310913 601310514 /nfs/dbraw/zinc/31/05/14/601310514.db2.gz KXTYJOZAGMWOTH-QGZVFWFLSA-N -1 3 328.343 2.964 20 30 EFEDHM Cc1sc(NC(=O)CN(CCC(=O)[O-])CC(C)C)c(C#N)c1C ZINC000833033962 601389938 /nfs/dbraw/zinc/38/99/38/601389938.db2.gz JTCGLNMUCUBUQN-UHFFFAOYSA-N -1 3 337.445 2.608 20 30 EFEDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000826053143 601656562 /nfs/dbraw/zinc/65/65/62/601656562.db2.gz IPESCDXBWUOOKQ-UGSOOPFHSA-N -1 3 337.379 2.548 20 30 EFEDHM N#Cc1cccc(C2(NC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826386810 607674374 /nfs/dbraw/zinc/67/43/74/607674374.db2.gz UBLRKYAWPGOLKN-UHFFFAOYSA-N -1 3 345.366 2.549 20 30 EFEDHM N#Cc1cccc(C2(NC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000826386810 607674375 /nfs/dbraw/zinc/67/43/75/607674375.db2.gz UBLRKYAWPGOLKN-UHFFFAOYSA-N -1 3 345.366 2.549 20 30 EFEDHM CC(C)[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000736359588 604376332 /nfs/dbraw/zinc/37/63/32/604376332.db2.gz HTMSPKLTCOOQDQ-CABZTGNLSA-N -1 3 335.360 2.904 20 30 EFEDHM CC(=O)N1CC[C@H](N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c2ccccc21 ZINC000833393799 604631629 /nfs/dbraw/zinc/63/16/29/604631629.db2.gz MFTHKCLNPFEQNP-PKOBYXMFSA-N -1 3 349.390 2.771 20 30 EFEDHM C=CCOc1ccc(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1OC ZINC000833377678 604648901 /nfs/dbraw/zinc/64/89/01/604648901.db2.gz IGGNRHKXHJWLLZ-OAHLLOKOSA-N -1 3 331.412 2.947 20 30 EFEDHM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409930 604945250 /nfs/dbraw/zinc/94/52/50/604945250.db2.gz TUDWRXFUJCNAEM-DZGCQCFKSA-N -1 3 343.427 2.708 20 30 EFEDHM C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833409933 604945282 /nfs/dbraw/zinc/94/52/82/604945282.db2.gz TUDWRXFUJCNAEM-ZFWWWQNUSA-N -1 3 343.427 2.708 20 30 EFEDHM C[C@@]1(NCc2nnc(-c3ccc(C#N)cc3)o2)CCCC[C@H]1C(=O)[O-] ZINC000833570321 605067601 /nfs/dbraw/zinc/06/76/01/605067601.db2.gz RBILHTNLELDMOV-KBXCAEBGSA-N -1 3 340.383 2.731 20 30 EFEDHM C=CCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823894584 607759013 /nfs/dbraw/zinc/75/90/13/607759013.db2.gz ULUFUJSKXHXHSY-UHFFFAOYSA-N -1 3 344.375 2.730 20 30 EFEDHM C=CCCCC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823894584 607759014 /nfs/dbraw/zinc/75/90/14/607759014.db2.gz ULUFUJSKXHXHSY-UHFFFAOYSA-N -1 3 344.375 2.730 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821839359 606302472 /nfs/dbraw/zinc/30/24/72/606302472.db2.gz UPQQAHPXNACJRD-SNAWJCMRSA-N -1 3 342.380 2.842 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821839359 606302474 /nfs/dbraw/zinc/30/24/74/606302474.db2.gz UPQQAHPXNACJRD-SNAWJCMRSA-N -1 3 342.380 2.842 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821768969 606303734 /nfs/dbraw/zinc/30/37/34/606303734.db2.gz CARLUVUHTBBIRK-ARJAWSKDSA-N -1 3 330.344 2.972 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000821768969 606303736 /nfs/dbraw/zinc/30/37/36/606303736.db2.gz CARLUVUHTBBIRK-ARJAWSKDSA-N -1 3 330.344 2.972 20 30 EFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2c(F)cccc21 ZINC000823504721 606306768 /nfs/dbraw/zinc/30/67/68/606306768.db2.gz SZTSUTLRPTWWCX-XBXARRHUSA-N -1 3 328.328 2.726 20 30 EFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2c(F)cccc21 ZINC000823504721 606306769 /nfs/dbraw/zinc/30/67/69/606306769.db2.gz SZTSUTLRPTWWCX-XBXARRHUSA-N -1 3 328.328 2.726 20 30 EFEDHM COc1ccc(OC)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000821838433 606387165 /nfs/dbraw/zinc/38/71/65/606387165.db2.gz NKFVXWMBGNVTJX-GQCTYLIASA-N -1 3 342.380 2.842 20 30 EFEDHM N#Cc1c2c(sc1NC(=O)c1cc(-c3nnn[n-]3)cs1)CCC2 ZINC000822819131 606478481 /nfs/dbraw/zinc/47/84/81/606478481.db2.gz LJJDXZOCMOSQEK-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM N#Cc1c2c(sc1NC(=O)c1cc(-c3nn[n-]n3)cs1)CCC2 ZINC000822819131 606478483 /nfs/dbraw/zinc/47/84/83/606478483.db2.gz LJJDXZOCMOSQEK-UHFFFAOYSA-N -1 3 342.409 2.602 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819745596 606483129 /nfs/dbraw/zinc/48/31/29/606483129.db2.gz LLDAUGCLCXHSGO-UHFFFAOYSA-N -1 3 331.426 2.818 20 30 EFEDHM C=CCN(Cc1cccs1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819745596 606483130 /nfs/dbraw/zinc/48/31/30/606483130.db2.gz LLDAUGCLCXHSGO-UHFFFAOYSA-N -1 3 331.426 2.818 20 30 EFEDHM N#Cc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822836969 606490991 /nfs/dbraw/zinc/49/09/91/606490991.db2.gz CEIRDEGZTFRALO-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822836969 606490992 /nfs/dbraw/zinc/49/09/92/606490992.db2.gz CEIRDEGZTFRALO-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1ccccc1N1CCC(Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822842779 606643047 /nfs/dbraw/zinc/64/30/47/606643047.db2.gz YGWNAIXWKWJPRA-UHFFFAOYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000822829783 606681352 /nfs/dbraw/zinc/68/13/52/606681352.db2.gz IWXISIUBPFOGGN-WMLDXEAASA-N -1 3 344.378 2.556 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000822829783 606681353 /nfs/dbraw/zinc/68/13/53/606681353.db2.gz IWXISIUBPFOGGN-WMLDXEAASA-N -1 3 344.378 2.556 20 30 EFEDHM N#Cc1ccc(OCCOc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000822833817 606779640 /nfs/dbraw/zinc/77/96/40/606779640.db2.gz WGAUITGHNMMQLG-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccc(OCCOc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822833817 606779642 /nfs/dbraw/zinc/77/96/42/606779642.db2.gz WGAUITGHNMMQLG-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM C=CCN(Cc1c(C)onc1CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745499 606879572 /nfs/dbraw/zinc/87/95/72/606879572.db2.gz GROPYULAMTVNFL-UHFFFAOYSA-N -1 3 338.415 2.914 20 30 EFEDHM Cc1ccccc1[C@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000822345156 607160403 /nfs/dbraw/zinc/16/04/03/607160403.db2.gz GLRRABQJHPJTHG-JTQLQIEISA-N -1 3 337.412 2.877 20 30 EFEDHM Cc1ccccc1[C@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000822345156 607160405 /nfs/dbraw/zinc/16/04/05/607160405.db2.gz GLRRABQJHPJTHG-JTQLQIEISA-N -1 3 337.412 2.877 20 30 EFEDHM N#CCc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822815554 607191057 /nfs/dbraw/zinc/19/10/57/607191057.db2.gz SSUKTPDUHFKBOZ-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822815554 607191058 /nfs/dbraw/zinc/19/10/58/607191058.db2.gz SSUKTPDUHFKBOZ-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cnc([C@@H]2CCCO2)s1 ZINC000823867923 607885788 /nfs/dbraw/zinc/88/57/88/607885788.db2.gz JKUVOAQTRKUWOL-ZDUSSCGKSA-N -1 3 341.400 2.621 20 30 EFEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cnc([C@@H]2CCCO2)s1 ZINC000823867923 607885789 /nfs/dbraw/zinc/88/57/89/607885789.db2.gz JKUVOAQTRKUWOL-ZDUSSCGKSA-N -1 3 341.400 2.621 20 30 EFEDHM Cc1ncc(C=NNc2cccc(-c3nnn[n-]3)c2)n1-c1ccccc1 ZINC000826329787 607886208 /nfs/dbraw/zinc/88/62/08/607886208.db2.gz RMHSVAUNCFDUKG-UHFFFAOYSA-N -1 3 344.382 2.807 20 30 EFEDHM Cc1ncc(C=NNc2cccc(-c3nn[n-]n3)c2)n1-c1ccccc1 ZINC000826329787 607886209 /nfs/dbraw/zinc/88/62/09/607886209.db2.gz RMHSVAUNCFDUKG-UHFFFAOYSA-N -1 3 344.382 2.807 20 30 EFEDHM O=[N+]([O-])c1ccc(NN=Cc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826498876 607888927 /nfs/dbraw/zinc/88/89/27/607888927.db2.gz MYCHPQNHMCXUTK-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM CN(C)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825875229 607915571 /nfs/dbraw/zinc/91/55/71/607915571.db2.gz GJIURQJEXOQVED-WMZJFQQLSA-N -1 3 337.358 2.968 20 30 EFEDHM CN(C)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825875229 607915572 /nfs/dbraw/zinc/91/55/72/607915572.db2.gz GJIURQJEXOQVED-WMZJFQQLSA-N -1 3 337.358 2.968 20 30 EFEDHM C=CCC[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823894067 608276493 /nfs/dbraw/zinc/27/64/93/608276493.db2.gz GSPHBLFSDOGOKX-LBPRGKRZSA-N -1 3 330.388 2.922 20 30 EFEDHM C=CCC[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000823894067 608276492 /nfs/dbraw/zinc/27/64/92/608276492.db2.gz GSPHBLFSDOGOKX-LBPRGKRZSA-N -1 3 330.388 2.922 20 30 EFEDHM C#CCCCCC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823837507 608298898 /nfs/dbraw/zinc/29/88/98/608298898.db2.gz DFADCUQAOVORDK-CQSZACIVSA-N -1 3 325.416 2.970 20 30 EFEDHM C#CCCCCC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823837507 608298900 /nfs/dbraw/zinc/29/89/00/608298900.db2.gz DFADCUQAOVORDK-CQSZACIVSA-N -1 3 325.416 2.970 20 30 EFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823837967 608332399 /nfs/dbraw/zinc/33/23/99/608332399.db2.gz JHJZGUAFFCUHOK-UJGDBWEASA-N -1 3 344.374 2.668 20 30 EFEDHM C#C[C@@H](Cc1ccccc1)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823837967 608332400 /nfs/dbraw/zinc/33/24/00/608332400.db2.gz JHJZGUAFFCUHOK-UJGDBWEASA-N -1 3 344.374 2.668 20 30 EFEDHM N#CC1(C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)CCCC1 ZINC000826380093 608485519 /nfs/dbraw/zinc/48/55/19/608485519.db2.gz MTTUWDCPQGOHKA-UHFFFAOYSA-N -1 3 348.410 2.566 20 30 EFEDHM N#CC1(C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)CCCC1 ZINC000826380093 608485520 /nfs/dbraw/zinc/48/55/20/608485520.db2.gz MTTUWDCPQGOHKA-UHFFFAOYSA-N -1 3 348.410 2.566 20 30 EFEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2cccc(C#N)c2F)n1 ZINC000826324443 608669553 /nfs/dbraw/zinc/66/95/53/608669553.db2.gz QZRRZDLNBUJSNB-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)nc1 ZINC000826401110 608884076 /nfs/dbraw/zinc/88/40/76/608884076.db2.gz PZUVDKKOHZRZCP-DJWKRKHSSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)nc1 ZINC000826401110 608884080 /nfs/dbraw/zinc/88/40/80/608884080.db2.gz PZUVDKKOHZRZCP-DJWKRKHSSA-N -1 3 329.722 2.950 20 30 EFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC#Cc1ccc(F)cc1 ZINC000825476075 609177273 /nfs/dbraw/zinc/17/72/73/609177273.db2.gz AGQNNVDPWVITJE-UHFFFAOYSA-N -1 3 336.374 2.901 20 30 EFEDHM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1-c1nnn[n-]1 ZINC000825830837 609235642 /nfs/dbraw/zinc/23/56/42/609235642.db2.gz ZNEICDVXMLQMHG-UHFFFAOYSA-N -1 3 344.378 2.698 20 30 EFEDHM CN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000825830837 609235644 /nfs/dbraw/zinc/23/56/44/609235644.db2.gz ZNEICDVXMLQMHG-UHFFFAOYSA-N -1 3 344.378 2.698 20 30 EFEDHM O=C(C=Cc1cccc2nccn21)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401281 609273090 /nfs/dbraw/zinc/27/30/90/609273090.db2.gz UNPZLGIFCOLBEY-FNORWQNLSA-N -1 3 334.314 2.550 20 30 EFEDHM O=C(C=Cc1cccc2nccn21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401281 609273091 /nfs/dbraw/zinc/27/30/91/609273091.db2.gz UNPZLGIFCOLBEY-FNORWQNLSA-N -1 3 334.314 2.550 20 30 EFEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CC1 ZINC000823909439 609367763 /nfs/dbraw/zinc/36/77/63/609367763.db2.gz DNDBEXSYFYDLSW-UHFFFAOYSA-N -1 3 334.221 2.780 20 30 EFEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CC1 ZINC000823909439 609367766 /nfs/dbraw/zinc/36/77/66/609367766.db2.gz DNDBEXSYFYDLSW-UHFFFAOYSA-N -1 3 334.221 2.780 20 30 EFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823999965 609370419 /nfs/dbraw/zinc/37/04/19/609370419.db2.gz OWUKHAMOYRFKAG-WCIBSUBMSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823999965 609370422 /nfs/dbraw/zinc/37/04/22/609370422.db2.gz OWUKHAMOYRFKAG-WCIBSUBMSA-N -1 3 333.351 2.721 20 30 EFEDHM C[C@@H]1CCC[C@H](CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)C1 ZINC000824925207 609378501 /nfs/dbraw/zinc/37/85/01/609378501.db2.gz BOAGXUDINQDJQY-ZJUUUORDSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@@H]1CCC[C@H](CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)C1 ZINC000824925207 609378502 /nfs/dbraw/zinc/37/85/02/609378502.db2.gz BOAGXUDINQDJQY-ZJUUUORDSA-N -1 3 329.433 2.634 20 30 EFEDHM Clc1cc(NN=Cc2c[nH]c3ncccc23)ccc1-c1nnn[n-]1 ZINC000826351586 609471574 /nfs/dbraw/zinc/47/15/74/609471574.db2.gz RXSAGTHLJSWOBM-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM Clc1cc(NN=Cc2c[nH]c3ncccc23)ccc1-c1nn[n-]n1 ZINC000826351586 609471575 /nfs/dbraw/zinc/47/15/75/609471575.db2.gz RXSAGTHLJSWOBM-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM N#Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000826385412 609472622 /nfs/dbraw/zinc/47/26/22/609472622.db2.gz LDFSMPNESBGXNE-UHFFFAOYSA-N -1 3 329.776 2.899 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCOC(C)C ZINC000823909978 609498742 /nfs/dbraw/zinc/49/87/42/609498742.db2.gz UYIBRMJAPROCKN-UHFFFAOYSA-N -1 3 343.431 2.587 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCOC(C)C ZINC000823909978 609498744 /nfs/dbraw/zinc/49/87/44/609498744.db2.gz UYIBRMJAPROCKN-UHFFFAOYSA-N -1 3 343.431 2.587 20 30 EFEDHM Cc1c(Cl)cnc(N(C)Cc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826237208 609530432 /nfs/dbraw/zinc/53/04/32/609530432.db2.gz RSMGQQQAKZKHJE-UHFFFAOYSA-N -1 3 339.790 2.732 20 30 EFEDHM Cc1c(Cl)cnc(N(C)Cc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826237208 609530434 /nfs/dbraw/zinc/53/04/34/609530434.db2.gz RSMGQQQAKZKHJE-UHFFFAOYSA-N -1 3 339.790 2.732 20 30 EFEDHM Cc1c(Cl)cnc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826236794 609530597 /nfs/dbraw/zinc/53/05/97/609530597.db2.gz CHACYRDOSHKFNR-UHFFFAOYSA-N -1 3 339.790 2.732 20 30 EFEDHM Cc1c(Cl)cnc(N(C)Cc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826236794 609530598 /nfs/dbraw/zinc/53/05/98/609530598.db2.gz CHACYRDOSHKFNR-UHFFFAOYSA-N -1 3 339.790 2.732 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826240450 609535810 /nfs/dbraw/zinc/53/58/10/609535810.db2.gz TVDCTGADPROTFN-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000826240450 609535812 /nfs/dbraw/zinc/53/58/12/609535812.db2.gz TVDCTGADPROTFN-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2nccc(C)c2-c2nnn[n-]2)c1 ZINC000825039184 609552335 /nfs/dbraw/zinc/55/23/35/609552335.db2.gz NXHNSBNRSDGNJJ-AWEZNQCLSA-N -1 3 349.398 2.863 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNc2nccc(C)c2-c2nn[n-]n2)c1 ZINC000825039184 609552338 /nfs/dbraw/zinc/55/23/38/609552338.db2.gz NXHNSBNRSDGNJJ-AWEZNQCLSA-N -1 3 349.398 2.863 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000826250427 609625827 /nfs/dbraw/zinc/62/58/27/609625827.db2.gz ANRIEHFZAKFLEN-LBPRGKRZSA-N -1 3 348.366 2.718 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000826250427 609625828 /nfs/dbraw/zinc/62/58/28/609625828.db2.gz ANRIEHFZAKFLEN-LBPRGKRZSA-N -1 3 348.366 2.718 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)C1=O ZINC001272724948 1253075934 /nfs/dbraw/zinc/07/59/34/1253075934.db2.gz RVIONVJPKNCAQG-GOSISDBHSA-N -1 3 336.382 2.671 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000945436721 1253334334 /nfs/dbraw/zinc/33/43/34/1253334334.db2.gz DNJZREBZTPGGLW-GDBMZVCRSA-N -1 3 344.455 2.961 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)c3ccccc3[O-])[C@@H](C)C2)C1 ZINC000945508198 1253408987 /nfs/dbraw/zinc/40/89/87/1253408987.db2.gz FXHIMDZNQSEMLS-GOEBONIOSA-N -1 3 342.439 2.715 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC000946001677 1254335946 /nfs/dbraw/zinc/33/59/46/1254335946.db2.gz NUNGBLUSWSMUPE-ZBFHGGJFSA-N -1 3 342.439 2.667 20 30 EFEDHM C[C@H](CNc1snc(Cl)c1C#N)NC(=O)c1ccccc1[O-] ZINC001107626754 1256325501 /nfs/dbraw/zinc/32/55/01/1256325501.db2.gz FSWJBXQEKIUEII-MRVPVSSYSA-N -1 3 336.804 2.604 20 30 EFEDHM Cc1ccc(C#N)c(NC[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)n1 ZINC001060810714 1257160718 /nfs/dbraw/zinc/16/07/18/1257160718.db2.gz FSIVFUYEGLPSOC-AWEZNQCLSA-N -1 3 336.395 2.542 20 30 EFEDHM C[C@@H](CCNC(=O)c1ccccc1[O-])Nc1ncc(C#N)cc1Cl ZINC001098839260 1257174008 /nfs/dbraw/zinc/17/40/08/1257174008.db2.gz ZDIJXUKXFVKODC-NSHDSACASA-N -1 3 344.802 2.933 20 30 EFEDHM N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c([O-])c(F)c1 ZINC001272783965 1258024352 /nfs/dbraw/zinc/02/43/52/1258024352.db2.gz UJCNVXNMPWJTCT-HZPDHXFCSA-N -1 3 349.381 2.539 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CCC[C@@H]2CNC(=O)c2ccccc2[O-])C1 ZINC000946305213 1258304291 /nfs/dbraw/zinc/30/42/91/1258304291.db2.gz UWGYSAQFHOQELN-GDBMZVCRSA-N -1 3 342.439 2.763 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CCC[C@H]2CNC(=O)c2ccccc2[O-])C1 ZINC000946305214 1258304520 /nfs/dbraw/zinc/30/45/20/1258304520.db2.gz UWGYSAQFHOQELN-GOEBONIOSA-N -1 3 342.439 2.763 20 30 EFEDHM C=C(Cl)CN1CCC[C@H](N(CC)C(=O)c2ncccc2[O-])CC1 ZINC000997992397 1258916043 /nfs/dbraw/zinc/91/60/43/1258916043.db2.gz PEUOXRNFRQAKDQ-AWEZNQCLSA-N -1 3 337.851 2.856 20 30 EFEDHM CC#CCCCC(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062014931 1260015833 /nfs/dbraw/zinc/01/58/33/1260015833.db2.gz GYENBKLJFBWKBM-MRXNPFEDSA-N -1 3 342.439 2.697 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2sc(C)nc2C)cc1 ZINC000131674809 1261099223 /nfs/dbraw/zinc/09/92/23/1261099223.db2.gz XFSWDNKHTUNFLU-ZDUSSCGKSA-N -1 3 329.381 2.730 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(F)c(F)c2)cc1 ZINC000131691176 1261159015 /nfs/dbraw/zinc/15/90/15/1261159015.db2.gz YINLOCPPZBQKOP-CYBMUJFWSA-N -1 3 330.290 2.935 20 30 EFEDHM Cc1nsc(N[C@H](C)CN(C)C(=O)c2ccccc2[O-])c1C#N ZINC001115628493 1261309415 /nfs/dbraw/zinc/30/94/15/1261309415.db2.gz BSOOPWPNSDUUIQ-SNVBAGLBSA-N -1 3 330.413 2.601 20 30 EFEDHM C=C(C)CN1CCC2(CCN(Cc3ccccc3C(=O)[O-])CC2)C1=O ZINC001273172957 1261491976 /nfs/dbraw/zinc/49/19/76/1261491976.db2.gz XWSFCSMGEDIXLR-UHFFFAOYSA-N -1 3 342.439 2.775 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000131740492 1261535923 /nfs/dbraw/zinc/53/59/23/1261535923.db2.gz DELRICAUIQWGKF-HNNXBMFYSA-N -1 3 339.307 2.565 20 30 EFEDHM C#CCCCC(=O)N1CCC[C@H](N(C)C(=O)c2ccccc2[O-])CC1 ZINC001078830521 1262398461 /nfs/dbraw/zinc/39/84/61/1262398461.db2.gz ASGPCDHNXBFVHZ-INIZCTEOSA-N -1 3 342.439 2.649 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC000730203849 1264243285 /nfs/dbraw/zinc/24/32/85/1264243285.db2.gz DXWWWMZFBGBNHQ-UHFFFAOYSA-N -1 3 342.355 2.684 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC[C@@H]2CN(C)C(=O)c2ccccc2[O-])C1 ZINC001002976568 1264400668 /nfs/dbraw/zinc/40/06/68/1264400668.db2.gz MNMJNLOHTVKKKM-OAHLLOKOSA-N -1 3 342.439 2.812 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc([O-])cc(Cl)c3)C2)C1=O ZINC001273000767 1265065235 /nfs/dbraw/zinc/06/52/35/1265065235.db2.gz YCQSWUAGSRSLOT-SFHVURJKSA-N -1 3 348.830 2.686 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001032912692 1265340427 /nfs/dbraw/zinc/34/04/27/1265340427.db2.gz GRYBKHZOJDPLSY-CYBMUJFWSA-N -1 3 341.436 2.672 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(C(C)C)n1 ZINC000733678857 1265349452 /nfs/dbraw/zinc/34/94/52/1265349452.db2.gz LVTQYZIUZXZVSQ-CYBMUJFWSA-N -1 3 340.383 2.824 20 30 EFEDHM CCS(=O)(=O)C=C(C)NN=c1nc[n-]c2c3ccccc3oc21 ZINC000733744859 1265400019 /nfs/dbraw/zinc/40/00/19/1265400019.db2.gz ULYACZCYMDTHDA-UHFFFAOYSA-N -1 3 332.385 2.599 20 30 EFEDHM COc1cc(C=NNc2cnnc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000733747981 1265401620 /nfs/dbraw/zinc/40/16/20/1265401620.db2.gz AKIIEMPRBFWWPH-UHFFFAOYSA-N -1 3 339.311 2.698 20 30 EFEDHM COc1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc2ccccc21 ZINC000734079559 1266863984 /nfs/dbraw/zinc/86/39/84/1266863984.db2.gz CKFIVRLWYIXZMM-CQSZACIVSA-N -1 3 346.346 2.600 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001004526001 1267225127 /nfs/dbraw/zinc/22/51/27/1267225127.db2.gz YBTSHDZBJYBZKO-DZGCQCFKSA-N -1 3 330.428 2.571 20 30 EFEDHM CC(C)(C)c1cccc(OCCCn2ccc(C=N[O-])nc2=O)c1 ZINC000736307303 1267563629 /nfs/dbraw/zinc/56/36/29/1267563629.db2.gz TWDBKMHWXFTGQF-UHFFFAOYSA-N -1 3 329.400 2.818 20 30 EFEDHM N#Cc1cccnc1NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001066264151 1267586460 /nfs/dbraw/zinc/58/64/60/1267586460.db2.gz JNTGGHYPVHMAFU-CQSZACIVSA-N -1 3 336.395 2.623 20 30 EFEDHM CN(C[C@H]1CCN1CC#Cc1ccccc1)C(=O)c1ccccc1[O-] ZINC001085488671 1267629314 /nfs/dbraw/zinc/62/93/14/1267629314.db2.gz DRCUCZYTRNMTGC-GOSISDBHSA-N -1 3 334.419 2.590 20 30 EFEDHM COc1cc(/C=C\C(=O)c2cnn(C)c2)cc(Br)c1[O-] ZINC000209233988 1268364665 /nfs/dbraw/zinc/36/46/65/1268364665.db2.gz PXTCJAKZZUTVGI-ARJAWSKDSA-N -1 3 337.173 2.793 20 30 EFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(F)cc1[O-] ZINC001273374299 1269143698 /nfs/dbraw/zinc/14/36/98/1269143698.db2.gz LBJAPKJSWYNHPW-HZPDHXFCSA-N -1 3 336.382 2.812 20 30 EFEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066374053 1269756727 /nfs/dbraw/zinc/75/67/27/1269756727.db2.gz QBPGGOWMAWUSAZ-CQSZACIVSA-N -1 3 330.428 2.715 20 30 EFEDHM Cc1cccc2oc(CC/N=C/c3c([O-])c(C)ncc3CO)nc21 ZINC000743045749 1270380224 /nfs/dbraw/zinc/38/02/24/1270380224.db2.gz WTFVFVPOXKNLCS-DJKKODMXSA-N -1 3 325.368 2.699 20 30 EFEDHM C[C@H]1C[C@H]1c1ccc(C=N[N-]S(=O)(=O)CCc2ccccc2)o1 ZINC000743448332 1270582534 /nfs/dbraw/zinc/58/25/34/1270582534.db2.gz KDLMVNJBTXDCOC-XJKSGUPXSA-N -1 3 332.425 2.899 20 30 EFEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1sc(C)nc1C ZINC000743448316 1270583135 /nfs/dbraw/zinc/58/31/35/1270583135.db2.gz JMAFXQNAMYFOPE-UHFFFAOYSA-N -1 3 337.470 2.646 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CSCc2ccccc21 ZINC000743448491 1270583694 /nfs/dbraw/zinc/58/36/94/1270583694.db2.gz RMQRKBUUANMUTA-UHFFFAOYSA-N -1 3 346.477 2.800 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCc2cc(O)ccc21 ZINC000743448708 1270583861 /nfs/dbraw/zinc/58/38/61/1270583861.db2.gz BFWUPANCHMPQSJ-UHFFFAOYSA-N -1 3 344.436 2.595 20 30 EFEDHM COc1cccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)c1 ZINC000743448654 1270584018 /nfs/dbraw/zinc/58/40/18/1270584018.db2.gz YWPAYTVKWCYBNH-UHFFFAOYSA-N -1 3 332.425 2.581 20 30 EFEDHM Cc1cccc2c1CCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448388 1270584100 /nfs/dbraw/zinc/58/41/00/1270584100.db2.gz MUSLHNCKYPWDQF-UHFFFAOYSA-N -1 3 328.437 2.807 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1c(F)cccc1Cl ZINC000743448473 1270584131 /nfs/dbraw/zinc/58/41/31/1270584131.db2.gz QMKRIJJMJNGSOO-UHFFFAOYSA-N -1 3 340.807 2.975 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cc2ccccc2o1 ZINC000743448659 1270584263 /nfs/dbraw/zinc/58/42/63/1270584263.db2.gz YZUUGLHTBBOUHB-UHFFFAOYSA-N -1 3 328.393 2.929 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(-n3cccn3)cc2)c1[O-] ZINC000743501999 1270601873 /nfs/dbraw/zinc/60/18/73/1270601873.db2.gz VGNBUBAUVQXRGY-PUFAJPFRSA-N -1 3 336.395 2.954 20 30 EFEDHM C=CCCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001066458152 1270679127 /nfs/dbraw/zinc/67/91/27/1270679127.db2.gz BKLMCVHRLDGDHS-HNNXBMFYSA-N -1 3 330.428 2.859 20 30 EFEDHM CCCCCCNC(=O)C(C#N)=C([O-])c1nc(C)n2ccccc12 ZINC000744021642 1270833600 /nfs/dbraw/zinc/83/36/00/1270833600.db2.gz AVNXRFYIBWQWGT-CQSZACIVSA-N -1 3 326.400 2.662 20 30 EFEDHM Cc1noc([N-]C(=O)[C@H](O)c2ccc(C(F)(F)F)cc2)c1C#N ZINC001143631903 1278612738 /nfs/dbraw/zinc/61/27/38/1278612738.db2.gz IBDRIAXQJPUYKY-LLVKDONJSA-N -1 3 325.246 2.546 20 30 EFEDHM Cc1ccc(Nc2nc(Cl)c(C=NN3CC(=O)[N-]C3=O)s2)cc1 ZINC000744810860 1271178895 /nfs/dbraw/zinc/17/88/95/1271178895.db2.gz ZLYDMHGNSVIPOQ-UHFFFAOYSA-N -1 3 349.803 2.734 20 30 EFEDHM N#CCNC(=O)COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746077839 1271759591 /nfs/dbraw/zinc/75/95/91/1271759591.db2.gz CJTRFXBGFSEOGC-UHFFFAOYSA-N -1 3 344.754 2.509 20 30 EFEDHM COc1cc2cc(C#N)c(NCc3ncccc3[O-])nc2cc1OC ZINC001169731396 1273142790 /nfs/dbraw/zinc/14/27/90/1273142790.db2.gz CXXDCCJVRYHLIC-UHFFFAOYSA-N -1 3 336.351 2.836 20 30 EFEDHM COC(=O)n1ncc(C#N)c1Nc1cc([O-])ccc1Br ZINC001169968406 1273268619 /nfs/dbraw/zinc/26/86/19/1273268619.db2.gz SJPFULJOJGKIBS-UHFFFAOYSA-N -1 3 337.133 2.581 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2nc(CCCC)[n-]c2C(=O)OCC)nc1 ZINC000792555560 1278854128 /nfs/dbraw/zinc/85/41/28/1278854128.db2.gz MHDMIELASKJNED-UHFFFAOYSA-N -1 3 340.383 2.558 20 30 EFEDHM N#Cc1cnc(NC2(CNC(=O)c3ccccc3[O-])CC2)c(Cl)c1 ZINC001110075681 1275095642 /nfs/dbraw/zinc/09/56/42/1275095642.db2.gz ISHHEZTVEHSAEM-UHFFFAOYSA-N -1 3 342.786 2.687 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)C1CCOCC1 ZINC000786340764 1275360921 /nfs/dbraw/zinc/36/09/21/1275360921.db2.gz RHDULRANUDXFNT-UHFFFAOYSA-N -1 3 345.443 2.530 20 30 EFEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2ccc3c(c2)OCO3)c1[O-] ZINC000746684340 1275782634 /nfs/dbraw/zinc/78/26/34/1275782634.db2.gz ZYLNPPXGTNDAGG-ZBKNUEDVSA-N -1 3 342.395 2.713 20 30 EFEDHM CC(=O)c1ccccc1OCCOC(=O)c1cc([O-])cc(C#N)c1 ZINC000787943425 1275996361 /nfs/dbraw/zinc/99/63/61/1275996361.db2.gz KGFBPKIIOVXWKU-UHFFFAOYSA-N -1 3 325.320 2.702 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062569012 1276271467 /nfs/dbraw/zinc/27/14/67/1276271467.db2.gz DBCNEYMGEIHTHK-AWEZNQCLSA-N -1 3 330.428 2.763 20 30 EFEDHM C=C[C@@H](CC)CC(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062568861 1276271895 /nfs/dbraw/zinc/27/18/95/1276271895.db2.gz CNUPBUDKZHURCY-AWEZNQCLSA-N -1 3 330.428 2.763 20 30 EFEDHM C=CCC(CC=C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062569652 1276272577 /nfs/dbraw/zinc/27/25/77/1276272577.db2.gz LZZNUOWBAFVZOB-UHFFFAOYSA-N -1 3 342.439 2.929 20 30 EFEDHM C=C[C@H](C)[C@H](C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CCC1 ZINC001062570344 1276272593 /nfs/dbraw/zinc/27/25/93/1276272593.db2.gz VLIBIZDGRJEIEJ-KBPBESRZSA-N -1 3 330.428 2.619 20 30 EFEDHM C=CCn1cc(CN[C@H](C)c2cc(Br)ccc2[O-])nn1 ZINC000818345610 1276513286 /nfs/dbraw/zinc/51/32/86/1276513286.db2.gz FXEXTLOGBAZSSS-SNVBAGLBSA-N -1 3 337.221 2.783 20 30 EFEDHM CC1(C)COc2c1cccc2C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000789404775 1276717370 /nfs/dbraw/zinc/71/73/70/1276717370.db2.gz IPFAXLKDHTZNBZ-ZDUSSCGKSA-N -1 3 335.363 2.713 20 30 EFEDHM CC1(C)CC[C@H](C(=O)N[C@H]2CCN([O-])C2=O)[C@@H](c2ccccc2)C1 ZINC000820128580 1277039822 /nfs/dbraw/zinc/03/98/22/1277039822.db2.gz YZKMIXLSJZFAHY-XHSDSOJGSA-N -1 3 330.428 2.703 20 30 EFEDHM C/C(=C\C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000820476501 1277188180 /nfs/dbraw/zinc/18/81/80/1277188180.db2.gz MIHGTHGDXWFERV-WTNCMQEWSA-N -1 3 342.317 2.605 20 30 EFEDHM O=C(CCCc1cccc(C(F)(F)F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000820477219 1277188387 /nfs/dbraw/zinc/18/83/87/1277188387.db2.gz WEBMHOFYKSJVJN-CYBMUJFWSA-N -1 3 344.333 2.525 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1CCc1ccccc1 ZINC000820475878 1277188985 /nfs/dbraw/zinc/18/89/85/1277188985.db2.gz BUAZBJPDRICJBB-SFHVURJKSA-N -1 3 338.407 2.582 20 30 EFEDHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820482952 1277191441 /nfs/dbraw/zinc/19/14/41/1277191441.db2.gz VDKOZXFWIXACBR-NOZJJQNGSA-N -1 3 345.226 2.668 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(Sc2ccccc2)CCCC1 ZINC000820482593 1277191659 /nfs/dbraw/zinc/19/16/59/1277191659.db2.gz OAELWWGVGUJXJV-AWEZNQCLSA-N -1 3 334.441 2.588 20 30 EFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cccc3nn[n-]c32)c1C ZINC000790075454 1277210360 /nfs/dbraw/zinc/21/03/60/1277210360.db2.gz WZCJWBGOCIPCAR-UHFFFAOYSA-N -1 3 338.367 2.602 20 30 EFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cccc3[n-]nnc32)c1C ZINC000790075454 1277210363 /nfs/dbraw/zinc/21/03/63/1277210363.db2.gz WZCJWBGOCIPCAR-UHFFFAOYSA-N -1 3 338.367 2.602 20 30 EFEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cccc3n[n-]nc32)c1C ZINC000790075454 1277210367 /nfs/dbraw/zinc/21/03/67/1277210367.db2.gz WZCJWBGOCIPCAR-UHFFFAOYSA-N -1 3 338.367 2.602 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ccsc1Cl ZINC000790167522 1277309851 /nfs/dbraw/zinc/30/98/51/1277309851.db2.gz HHLGNKVUVSMLRA-UHFFFAOYSA-N -1 3 328.846 2.898 20 30 EFEDHM Cn1nccc1[C@H]1CCCC(=N[N-]S(=O)(=O)Cc2ccccc2)C1 ZINC000790287664 1277396738 /nfs/dbraw/zinc/39/67/38/1277396738.db2.gz TUXUEYBXNFBTNI-HNNXBMFYSA-N -1 3 346.456 2.553 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790714127 1277738683 /nfs/dbraw/zinc/73/86/83/1277738683.db2.gz ZHOQTFMMVOGWEY-ZDUSSCGKSA-N -1 3 326.352 2.709 20 30 EFEDHM COc1ccc(CCC(=O)[N-]OCCCC2(C#N)CCOCC2)cc1 ZINC000871798174 1287297627 /nfs/dbraw/zinc/29/76/27/1287297627.db2.gz PWLHVHHDSWZBLX-UHFFFAOYSA-N -1 3 346.427 2.776 20 30 EFEDHM N#Cc1ncc(NC(=O)Cc2ccc([O-])c(F)c2)cc1C(F)(F)F ZINC001144622700 1279927795 /nfs/dbraw/zinc/92/77/95/1279927795.db2.gz BWBGLMZMINGBIU-UHFFFAOYSA-N -1 3 339.248 2.998 20 30 EFEDHM CC(=O)Nc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1C#N ZINC001144631145 1279939720 /nfs/dbraw/zinc/93/97/20/1279939720.db2.gz JBSGABUMOAEABG-UHFFFAOYSA-N -1 3 327.315 2.543 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000846548615 1280242771 /nfs/dbraw/zinc/24/27/71/1280242771.db2.gz FZZJLSDSXUBAMT-CHWSQXEVSA-N -1 3 335.379 2.692 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000846549477 1280243325 /nfs/dbraw/zinc/24/33/25/1280243325.db2.gz KVSHPBQEULIIJT-HOTGVXAUSA-N -1 3 330.428 2.778 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000846551180 1280245986 /nfs/dbraw/zinc/24/59/86/1280245986.db2.gz SYWDNNXFIXKCEH-LSDHHAIUSA-N -1 3 331.416 2.861 20 30 EFEDHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000846538641 1280252801 /nfs/dbraw/zinc/25/28/01/1280252801.db2.gz SGMCQZQKMWDMKX-MRXNPFEDSA-N -1 3 330.428 2.780 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](C(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000846757308 1280454381 /nfs/dbraw/zinc/45/43/81/1280454381.db2.gz XJWAAGALSLNOQF-MRGVZLDZSA-N -1 3 336.432 2.621 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@H](C(=O)OC(C)(C)C)C(C)C)c1[O-] ZINC000846757307 1280454507 /nfs/dbraw/zinc/45/45/07/1280454507.db2.gz XJWAAGALSLNOQF-GPMKDSKKSA-N -1 3 336.432 2.621 20 30 EFEDHM N#CCSCCCOC(=O)c1cccc(Br)c1[O-] ZINC000805446403 1280567650 /nfs/dbraw/zinc/56/76/50/1280567650.db2.gz PQJIJPZFXSMJDL-UHFFFAOYSA-N -1 3 330.203 2.958 20 30 EFEDHM COc1cc(CN=Nc2nccnc2C2CCC2)cc([N+](=O)[O-])c1[O-] ZINC000807994733 1281487021 /nfs/dbraw/zinc/48/70/21/1281487021.db2.gz WSQFEGWIYUWUGT-UHFFFAOYSA-N -1 3 343.343 2.813 20 30 EFEDHM CC(=NNCC1CCCC1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000808006455 1281492666 /nfs/dbraw/zinc/49/26/66/1281492666.db2.gz WHPOKQPYVHOFDY-UHFFFAOYSA-N -1 3 331.460 2.728 20 30 EFEDHM C=CCOc1ccccc1[C@H](C)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590433 1281665229 /nfs/dbraw/zinc/66/52/29/1281665229.db2.gz JRVCLONILQWTJG-NSHDSACASA-N -1 3 329.352 2.859 20 30 EFEDHM CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1C#N ZINC001148772674 1281755435 /nfs/dbraw/zinc/75/54/35/1281755435.db2.gz IYPGSDUMKDTDGF-UHFFFAOYSA-N -1 3 348.366 2.778 20 30 EFEDHM CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1C#N ZINC001148772674 1281755439 /nfs/dbraw/zinc/75/54/39/1281755439.db2.gz IYPGSDUMKDTDGF-UHFFFAOYSA-N -1 3 348.366 2.778 20 30 EFEDHM Cc1coc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2Cl)c1C#N ZINC001149013692 1281838008 /nfs/dbraw/zinc/83/80/08/1281838008.db2.gz OXAKVFDWERQKAP-UHFFFAOYSA-N -1 3 338.772 2.769 20 30 EFEDHM COc1cccc2c(C(=O)OCCOc3ccc(C#N)cc3)n[n-]c21 ZINC000808676085 1281861311 /nfs/dbraw/zinc/86/13/11/1281861311.db2.gz CMQRIKVXRAIZFL-UHFFFAOYSA-N -1 3 337.335 2.679 20 30 EFEDHM COc1cccc2c(C(=O)OCCOc3ccc(C#N)cc3)[n-]nc21 ZINC000808676085 1281861320 /nfs/dbraw/zinc/86/13/20/1281861320.db2.gz CMQRIKVXRAIZFL-UHFFFAOYSA-N -1 3 337.335 2.679 20 30 EFEDHM Cc1c(C)n(C2CCCC2)c2ncnc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c12 ZINC001171365492 1282078339 /nfs/dbraw/zinc/07/83/39/1282078339.db2.gz YYNVRBMRYOCWLZ-BONVTDFDSA-N -1 3 343.431 2.811 20 30 EFEDHM COc1cc(C)ccc1C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184049 1284092374 /nfs/dbraw/zinc/09/23/74/1284092374.db2.gz GKYPCVIQMXGYCA-UHFFFAOYSA-N -1 3 325.320 2.621 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)NCCC2CCCCC2)c1 ZINC000811185659 1284094259 /nfs/dbraw/zinc/09/42/59/1284094259.db2.gz QROXNDMQWOCDDU-UHFFFAOYSA-N -1 3 330.384 2.507 20 30 EFEDHM CCC(C)(C)NC(=O)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(C)C ZINC000811186067 1284094994 /nfs/dbraw/zinc/09/49/94/1284094994.db2.gz ATMKNKRDMJSBHE-HNNXBMFYSA-N -1 3 332.400 2.750 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)O[C@@H]2CCCN(c3ccccc3)C2=O)c1 ZINC000811187103 1284095450 /nfs/dbraw/zinc/09/54/50/1284095450.db2.gz JQQHWTPRUYPIBQ-QGZVFWFLSA-N -1 3 336.347 2.616 20 30 EFEDHM CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188065 1284096038 /nfs/dbraw/zinc/09/60/38/1284096038.db2.gz UOVWBVRBDUNJRA-SWLSCSKDSA-N -1 3 330.384 2.600 20 30 EFEDHM CC(=O)[C@@H](Cc1ccccc1F)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186396 1284096102 /nfs/dbraw/zinc/09/61/02/1284096102.db2.gz MKAZOEYVHVSSOU-QGZVFWFLSA-N -1 3 327.311 2.760 20 30 EFEDHM CC(C)N(C(=O)COC(=O)c1cc([O-])cc(C#N)c1)C1CCCC1 ZINC000811186943 1284096210 /nfs/dbraw/zinc/09/62/10/1284096210.db2.gz DVGQEPOJZCLYAI-UHFFFAOYSA-N -1 3 330.384 2.600 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H](COC(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000811185528 1284096233 /nfs/dbraw/zinc/09/62/33/1284096233.db2.gz NOGFIYYRXPSIEH-GFCCVEGCSA-N -1 3 346.383 2.678 20 30 EFEDHM CCc1oc(C(=O)OC)cc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186617 1284096572 /nfs/dbraw/zinc/09/65/72/1284096572.db2.gz RQZOXHGBSYZNKL-UHFFFAOYSA-N -1 3 329.308 2.563 20 30 EFEDHM CCN(C(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000811187352 1284097121 /nfs/dbraw/zinc/09/71/21/1284097121.db2.gz PIRATQYDKSXIDK-ZDUSSCGKSA-N -1 3 338.363 2.862 20 30 EFEDHM CCCCCCCCC(=O)NCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001093612371 1284278738 /nfs/dbraw/zinc/27/87/38/1284278738.db2.gz LNLWSGAVWUBGMD-UHFFFAOYSA-N -1 3 338.408 2.974 20 30 EFEDHM Cc1noc(C)c1[N-]c1ncc(C#N)cc1I ZINC001176178674 1287729341 /nfs/dbraw/zinc/72/93/41/1287729341.db2.gz IBXRILIUHSGKIK-UHFFFAOYSA-N -1 3 340.124 2.906 20 30 EFEDHM N#Cc1nc(NCCCNC(=O)c2ccccc2[O-])sc1Cl ZINC001094338147 1284943713 /nfs/dbraw/zinc/94/37/13/1284943713.db2.gz FEPVMSJVOXJAER-UHFFFAOYSA-N -1 3 336.804 2.606 20 30 EFEDHM COc1ccc(C=NOCCOC(C)C)c(Br)c1[O-] ZINC000812238995 1284992292 /nfs/dbraw/zinc/99/22/92/1284992292.db2.gz KBTCQJJWSAKFMR-UHFFFAOYSA-N -1 3 332.194 2.939 20 30 EFEDHM C=CCC1(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001094483238 1285193903 /nfs/dbraw/zinc/19/39/03/1285193903.db2.gz IFBVWUSNPFUHSF-UHFFFAOYSA-N -1 3 348.403 2.750 20 30 EFEDHM CCOC(=O)C(C)(C)C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000813218562 1285738314 /nfs/dbraw/zinc/73/83/14/1285738314.db2.gz QDXUGUBMMCYOKV-SNVBAGLBSA-N -1 3 328.290 2.866 20 30 EFEDHM CCCCCCCCCCC(=O)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001171830496 1285800926 /nfs/dbraw/zinc/80/09/26/1285800926.db2.gz OMJLUVKJZQTJJD-UHFFFAOYSA-N -1 3 339.484 2.637 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(C)C ZINC000813701930 1286084224 /nfs/dbraw/zinc/08/42/24/1286084224.db2.gz XUEKFPFGIFEVST-VIFPVBQESA-N -1 3 339.310 2.660 20 30 EFEDHM C=CCC(C)(C)COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000814005341 1286257899 /nfs/dbraw/zinc/25/78/99/1286257899.db2.gz MWWYARMFMMSODG-UHFFFAOYSA-N -1 3 329.393 2.956 20 30 EFEDHM COC(=O)c1cccc(N=Cc2c([O-])c(C)ncc2CO)c1Cl ZINC000814183907 1286387349 /nfs/dbraw/zinc/38/73/49/1286387349.db2.gz PZWXBVVXDYDIJJ-UHFFFAOYSA-N -1 3 334.759 2.779 20 30 EFEDHM Cn1cc(C=Nn2cnnc2SCc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000814216614 1286407272 /nfs/dbraw/zinc/40/72/72/1286407272.db2.gz UHKANQIDZCFIQS-UHFFFAOYSA-N -1 3 348.819 2.545 20 30 EFEDHM Cc1nnsc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000814216802 1286407635 /nfs/dbraw/zinc/40/76/35/1286407635.db2.gz YHCWQGBBKRLJLE-UHFFFAOYSA-N -1 3 348.482 2.901 20 30 EFEDHM N#Cc1ccc([O-])c(Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC001174315530 1286976303 /nfs/dbraw/zinc/97/63/03/1286976303.db2.gz CXVFSJRWRYYOTH-UHFFFAOYSA-N -1 3 343.408 2.792 20 30 EFEDHM CCCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccnc1 ZINC000814859482 1287102770 /nfs/dbraw/zinc/10/27/70/1287102770.db2.gz WNTUDGYWEFZEBJ-UHFFFAOYSA-N -1 3 331.441 2.748 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1nc2c(s1)CCCC2 ZINC000814858977 1287104524 /nfs/dbraw/zinc/10/45/24/1287104524.db2.gz KLMOVLXWIBVCGM-UHFFFAOYSA-N -1 3 349.481 2.518 20 30 EFEDHM CC(C)(C#N)[C@H]1CCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000814859048 1287104542 /nfs/dbraw/zinc/10/45/42/1287104542.db2.gz MIUVRIOENGAQBG-HNNXBMFYSA-N -1 3 333.457 2.854 20 30 EFEDHM C=CCn1c(SCC[C@@](C#N)(C(C)=O)c2ccccc2)n[n-]c1=O ZINC000871657565 1287195099 /nfs/dbraw/zinc/19/50/99/1287195099.db2.gz FMLCFPCETNACQI-QGZVFWFLSA-N -1 3 342.424 2.702 20 30 EFEDHM C=CCn1c(SCC[C@](C#N)(C(C)=O)c2ccccc2)n[n-]c1=O ZINC000871657563 1287195124 /nfs/dbraw/zinc/19/51/24/1287195124.db2.gz FMLCFPCETNACQI-KRWDZBQOSA-N -1 3 342.424 2.702 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000815809191 1287832103 /nfs/dbraw/zinc/83/21/03/1287832103.db2.gz JOPAYOOCMADANA-LLVKDONJSA-N -1 3 339.260 2.946 20 30 EFEDHM C=CCN(Cc1ccc2ccccc2c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000816494196 1288162498 /nfs/dbraw/zinc/16/24/98/1288162498.db2.gz AVWDMXYLJSZKTQ-MRXNPFEDSA-N -1 3 331.437 2.721 20 30 EFEDHM O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CCCN([O-])C1=O ZINC000816753233 1288263119 /nfs/dbraw/zinc/26/31/19/1288263119.db2.gz CKMRUWHVGKECCW-SFHVURJKSA-N -1 3 338.407 2.705 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000816755254 1288264681 /nfs/dbraw/zinc/26/46/81/1288264681.db2.gz WOZPUZXUAHJEHC-AWEZNQCLSA-N -1 3 342.420 2.624 20 30 EFEDHM COc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816757626 1288265230 /nfs/dbraw/zinc/26/52/30/1288265230.db2.gz XKVAMFHDOJXLQY-LBPRGKRZSA-N -1 3 346.408 2.534 20 30 EFEDHM O=C(CCCSc1ccc(Cl)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000816757273 1288265873 /nfs/dbraw/zinc/26/58/73/1288265873.db2.gz PGPCGVNYBBZDPU-CYBMUJFWSA-N -1 3 342.848 2.709 20 30 EFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)sc1-c1ccc(F)cc1 ZINC000816756822 1288266464 /nfs/dbraw/zinc/26/64/64/1288266464.db2.gz FWPFNSATPDCLOG-ZDUSSCGKSA-N -1 3 348.399 2.973 20 30 EFEDHM CC[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1cccc(C(F)(F)F)c1 ZINC000816758252 1288266543 /nfs/dbraw/zinc/26/65/43/1288266543.db2.gz LDWCHZJSFNAWSF-QWHCGFSZSA-N -1 3 344.333 2.695 20 30 EFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)sc1-c1ccc(F)cc1 ZINC000816756821 1288266551 /nfs/dbraw/zinc/26/65/51/1288266551.db2.gz FWPFNSATPDCLOG-CYBMUJFWSA-N -1 3 348.399 2.973 20 30 EFEDHM CC(C)(C)OC(=O)c1ccc(NC(=O)C#Cc2cccnc2)c([O-])c1 ZINC001177777978 1288526343 /nfs/dbraw/zinc/52/63/43/1288526343.db2.gz BMVWWZUKJBSSRD-UHFFFAOYSA-N -1 3 338.363 2.733 20 30 EFEDHM O=C(C#Cc1cccnc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177781217 1288544177 /nfs/dbraw/zinc/54/41/77/1288544177.db2.gz LQTNCKUEEKWKCC-UHFFFAOYSA-N -1 3 337.766 2.657 20 30 EFEDHM C#CCOc1cccc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000817350339 1288546375 /nfs/dbraw/zinc/54/63/75/1288546375.db2.gz BJESVDLSRKHBMK-INIZCTEOSA-N -1 3 325.430 2.501 20 30 EFEDHM Cc1noc(C2CC2)c1C(=O)[N-]c1n[nH]c(-c2cccc(C#N)c2)n1 ZINC001649146160 1288559446 /nfs/dbraw/zinc/55/94/46/1288559446.db2.gz CISXAKXIZRLHDA-UHFFFAOYSA-N -1 3 334.339 2.770 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)/C=C/c2ccc[nH]2)c(C)c1[O-] ZINC001177939840 1288606570 /nfs/dbraw/zinc/60/65/70/1288606570.db2.gz POAJKXYSMQYEOR-VOTSOKGWSA-N -1 3 339.351 2.729 20 30 EFEDHM CCCN1C[C@@H](C/N=C/c2cc(Br)ccc2[O-])CC1=O ZINC000817706352 1288708655 /nfs/dbraw/zinc/70/86/55/1288708655.db2.gz BTSRJYKZYHJYPI-LBFZPMSMSA-N -1 3 339.233 2.832 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)c1ccccn1 ZINC000821478045 1288734810 /nfs/dbraw/zinc/73/48/10/1288734810.db2.gz KYWAVIBFRODWHB-LBPRGKRZSA-N -1 3 339.395 2.950 20 30 EFEDHM Cc1noc([N-]C(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)c1C#N ZINC001180454420 1289540149 /nfs/dbraw/zinc/54/01/49/1289540149.db2.gz OXWWLFVNMRAUEZ-MRXNPFEDSA-N -1 3 328.303 2.516 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC000956198212 1289874593 /nfs/dbraw/zinc/87/45/93/1289874593.db2.gz OTBGFGGCAGDBHG-LIRRHRJNSA-N -1 3 330.428 2.715 20 30 EFEDHM COc1ccc(C#CC(=O)Nc2ncc([O-])cc2Br)cc1 ZINC001182045106 1290054476 /nfs/dbraw/zinc/05/44/76/1290054476.db2.gz HOJCXOWZXGGYCW-UHFFFAOYSA-N -1 3 347.168 2.549 20 30 EFEDHM C#CCCCCCCCCC(=O)Nc1n[n-]c(SC)c1C(N)=O ZINC001182185522 1290103036 /nfs/dbraw/zinc/10/30/36/1290103036.db2.gz HFPSGQAFONSMOQ-UHFFFAOYSA-N -1 3 336.461 2.923 20 30 EFEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1cc(C#N)ccc1[O-])CCO2 ZINC001232677009 1312759037 /nfs/dbraw/zinc/75/90/37/1312759037.db2.gz WQZMCDBRGNNESY-AZUAARDMSA-N -1 3 342.439 2.838 20 30 EFEDHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(Cc2cc(C#N)ccc2[O-])C1 ZINC001232678775 1312759671 /nfs/dbraw/zinc/75/96/71/1312759671.db2.gz PFJJRDHTKBCEQU-CZUORRHYSA-N -1 3 345.443 2.999 20 30 EFEDHM N#Cc1ccc([O-])c(CN2CCN(c3nccc4occc43)CC2)c1 ZINC001232680096 1312761108 /nfs/dbraw/zinc/76/11/08/1312761108.db2.gz XSLANCGYSQEWCC-UHFFFAOYSA-N -1 3 334.379 2.727 20 30 EFEDHM CCCCCCCCCCN(C)C(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183660125 1290387084 /nfs/dbraw/zinc/38/70/84/1290387084.db2.gz QUYHKDUGORPARK-UHFFFAOYSA-N -1 3 341.427 2.687 20 30 EFEDHM Cc1cccc(N2CC[C@H](C(=O)Nc3ccc([O-])c(C#N)c3)C2=O)c1 ZINC001184626238 1290484544 /nfs/dbraw/zinc/48/45/44/1290484544.db2.gz ATSLMGKLFGQEKG-MRXNPFEDSA-N -1 3 335.363 2.564 20 30 EFEDHM O=C(c1[n-]c(=O)ccc1Cl)N1CCC(C#Cc2ccccc2)CC1 ZINC001184807409 1290512542 /nfs/dbraw/zinc/51/25/42/1290512542.db2.gz HKHPQJDZVYGSDY-UHFFFAOYSA-N -1 3 340.810 2.771 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC000956715147 1290559637 /nfs/dbraw/zinc/55/96/37/1290559637.db2.gz NBMLPPFQXJMFPK-IBGZPJMESA-N -1 3 330.428 2.715 20 30 EFEDHM C=C1CCC(C(=O)N2CC[C@](C)(NC(=O)c3ccccc3[O-])C2)CC1 ZINC000956720881 1290565763 /nfs/dbraw/zinc/56/57/63/1290565763.db2.gz PPHJFMJUCNFEQP-FQEVSTJZSA-N -1 3 342.439 2.859 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccsc2)c(Br)n1 ZINC001185351374 1290648369 /nfs/dbraw/zinc/64/83/69/1290648369.db2.gz WIDYTVXKJKXWRZ-UHFFFAOYSA-N -1 3 344.215 2.578 20 30 EFEDHM [O-]c1ccc(CN2CCC(S)CC2)cc1I ZINC001232873449 1312800624 /nfs/dbraw/zinc/80/06/24/1312800624.db2.gz ZKSUMMUBYQUMON-UHFFFAOYSA-N -1 3 349.237 2.891 20 30 EFEDHM N#C[C@@H]1CCCCN1Cc1ccc([O-])c(I)c1 ZINC001232873323 1312800983 /nfs/dbraw/zinc/80/09/83/1312800983.db2.gz UOAJWRDXUVAEMT-NSHDSACASA-N -1 3 342.180 2.875 20 30 EFEDHM C=CCN1CC[C@]2(CCCN(Cc3cc([O-])c(F)c(F)c3)C2)C1=O ZINC001232972239 1312822281 /nfs/dbraw/zinc/82/22/81/1312822281.db2.gz LCYWAFZONUWGJT-SFHVURJKSA-N -1 3 336.382 2.671 20 30 EFEDHM CCCCCCCCS(=O)(=O)[N-]c1c(C(=O)OCC)cnn1C ZINC001187993253 1291280781 /nfs/dbraw/zinc/28/07/81/1291280781.db2.gz PUBLOKUTLUOKHL-UHFFFAOYSA-N -1 3 345.465 2.699 20 30 EFEDHM Cc1cc(C)n(-c2ccccc2C(=O)N([O-])C(=N)c2ccccc2N)n1 ZINC001188242262 1291337598 /nfs/dbraw/zinc/33/75/98/1291337598.db2.gz NDJUXENFLBTUJW-UHFFFAOYSA-N -1 3 349.394 2.928 20 30 EFEDHM Cc1nc(C(F)(F)F)ccc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001188734254 1291455585 /nfs/dbraw/zinc/45/55/85/1291455585.db2.gz DUUTWTOTVNVHFP-UHFFFAOYSA-N -1 3 338.289 2.848 20 30 EFEDHM O=C(Nc1cccc(-c2cccs2)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878533779 1291704847 /nfs/dbraw/zinc/70/48/47/1291704847.db2.gz BIBSVZKVPKOJJK-CYBMUJFWSA-N -1 3 331.397 2.917 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C4OCCO4)c3)nc1-2 ZINC000775248374 1291723600 /nfs/dbraw/zinc/72/36/00/1291723600.db2.gz BJAWNWBJQVRZAW-AWEZNQCLSA-N -1 3 348.362 2.802 20 30 EFEDHM CCCn1ccc2cc(NC(=O)N[C@@H]3CCCN([O-])C3=O)ccc21 ZINC000878612075 1291734438 /nfs/dbraw/zinc/73/44/38/1291734438.db2.gz GFNPJEYUENLMHP-CQSZACIVSA-N -1 3 330.388 2.553 20 30 EFEDHM NC(=NC(=O)c1cc(-c2ccccn2)[n-]n1)c1ccc2ccccc2n1 ZINC001189480823 1291745177 /nfs/dbraw/zinc/74/51/77/1291745177.db2.gz RUJUVMDGZLGWBB-UHFFFAOYSA-N -1 3 342.362 2.566 20 30 EFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCOC[C@@H]2C(C)C)n1 ZINC001166996433 1312878213 /nfs/dbraw/zinc/87/82/13/1312878213.db2.gz AVNMIFLZZUFUQK-UWJMNNEMSA-N -1 3 330.841 2.521 20 30 EFEDHM N#Cc1cnc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(Cl)c1 ZINC001189780935 1291857130 /nfs/dbraw/zinc/85/71/30/1291857130.db2.gz SYELXOYHRMVOCX-UHFFFAOYSA-N -1 3 343.742 2.827 20 30 EFEDHM N#Cc1ccc(F)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC001189823424 1291883008 /nfs/dbraw/zinc/88/30/08/1291883008.db2.gz GSMSJOFRXPLJJQ-UHFFFAOYSA-N -1 3 326.299 2.917 20 30 EFEDHM Cc1coc([N-]C(=O)c2nnn(-c3ccc(F)cc3)c2C)c1C#N ZINC001189922846 1291920445 /nfs/dbraw/zinc/92/04/45/1291920445.db2.gz PLNRPAQOCORUHC-UHFFFAOYSA-N -1 3 325.303 2.740 20 30 EFEDHM CC(C)(C)Oc1cc(F)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879066812 1291950826 /nfs/dbraw/zinc/95/08/26/1291950826.db2.gz OMYJATANOVUIHA-LBPRGKRZSA-N -1 3 339.367 2.505 20 30 EFEDHM Cc1noc([N-]C(=O)c2sc(-c3cccnc3)nc2C)c1C#N ZINC001190174657 1292042500 /nfs/dbraw/zinc/04/25/00/1292042500.db2.gz AUSAMJKHOQZGDU-UHFFFAOYSA-N -1 3 325.353 2.934 20 30 EFEDHM O=C(Nc1cc(Cl)c(F)c(Cl)c1)N[C@H]1CCCN([O-])C1=O ZINC000879375293 1292094685 /nfs/dbraw/zinc/09/46/85/1292094685.db2.gz LAEBZYCLNBKHGD-VIFPVBQESA-N -1 3 336.150 2.634 20 30 EFEDHM Cc1ccc(-c2cccnc2)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879443263 1292135025 /nfs/dbraw/zinc/13/50/25/1292135025.db2.gz KREKVTYVZXWBPD-HNNXBMFYSA-N -1 3 340.383 2.559 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000867059514 1292135629 /nfs/dbraw/zinc/13/56/29/1292135629.db2.gz WKQOGNJIKDVOAH-LAJNKCICSA-N -1 3 348.465 2.862 20 30 EFEDHM C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233334117 1312905743 /nfs/dbraw/zinc/90/57/43/1312905743.db2.gz VKUOJGYJUIJGPV-ACJLOTCBSA-N -1 3 339.382 2.997 20 30 EFEDHM N#Cc1ccc(N2CCCN(Cc3c([O-])ccc(F)c3F)CC2)nc1 ZINC001233334961 1312905965 /nfs/dbraw/zinc/90/59/65/1312905965.db2.gz BFSTWFOBKXKKBV-UHFFFAOYSA-N -1 3 344.365 2.649 20 30 EFEDHM N#Cc1cc(NC(=O)c2csc(N3CCCCC3)n2)ccc1[O-] ZINC001190669174 1292254958 /nfs/dbraw/zinc/25/49/58/1292254958.db2.gz SXOZRUMMVQXJFL-UHFFFAOYSA-N -1 3 328.397 2.963 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccncc2)C2CC2)c1 ZINC001190669368 1292255050 /nfs/dbraw/zinc/25/50/50/1292255050.db2.gz OWGYFYMOCPMCHZ-MRXNPFEDSA-N -1 3 331.372 2.522 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)c1 ZINC001190669323 1292255269 /nfs/dbraw/zinc/25/52/69/1292255269.db2.gz NEOMHLSCNJNPCN-HNNXBMFYSA-N -1 3 334.347 2.802 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc3ccncc32)c1 ZINC001190668880 1292255545 /nfs/dbraw/zinc/25/55/45/1292255545.db2.gz BITCTOLNSJSBTC-UHFFFAOYSA-N -1 3 341.367 2.724 20 30 EFEDHM C[C@]1([N-]C(=O)C(F)(F)F)CCN(CCC2(C#N)CCCCC2)C1 ZINC000879765384 1292262036 /nfs/dbraw/zinc/26/20/36/1292262036.db2.gz CSIQNNFKFSQUBX-AWEZNQCLSA-N -1 3 331.382 2.993 20 30 EFEDHM C[C@H](c1ccc(C#N)cc1)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766232 1292263903 /nfs/dbraw/zinc/26/39/03/1292263903.db2.gz VYOVNISNIYFLBD-IAQYHMDHSA-N -1 3 325.334 2.762 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CC23CCC(F)(F)CC3)c1 ZINC001190677989 1292281899 /nfs/dbraw/zinc/28/18/99/1292281899.db2.gz XLHRIKMQROFGRV-CYBMUJFWSA-N -1 3 344.358 2.944 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(Cc3ccccc3)CC2)c1 ZINC001190677722 1292281936 /nfs/dbraw/zinc/28/19/36/1292281936.db2.gz SVAIHQVEYSKQKK-UHFFFAOYSA-N -1 3 344.411 2.999 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cncc3ccccc32)c1 ZINC001190677244 1292281953 /nfs/dbraw/zinc/28/19/53/1292281953.db2.gz ODLRAIBKWHRKKV-UHFFFAOYSA-N -1 3 341.367 2.724 20 30 EFEDHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)C2CC2)nc1 ZINC001190676410 1292282222 /nfs/dbraw/zinc/28/22/22/1292282222.db2.gz CJBLNTKHTQCYPZ-KRWDZBQOSA-N -1 3 345.399 2.830 20 30 EFEDHM C[C@H]1CN(Cc2ccc(C#N)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001233383629 1312918641 /nfs/dbraw/zinc/91/86/41/1312918641.db2.gz OVZBGJJFSGBRAZ-ZDUSSCGKSA-N -1 3 331.416 2.705 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC001190843953 1292337968 /nfs/dbraw/zinc/33/79/68/1292337968.db2.gz SZLSDGZVICZMIB-GFCCVEGCSA-N -1 3 331.478 2.771 20 30 EFEDHM CCOC[C@@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2cn(CC)nc21 ZINC001233385956 1312919899 /nfs/dbraw/zinc/91/98/99/1312919899.db2.gz ZMNRGMCLQCYRCI-KRWDZBQOSA-N -1 3 340.427 2.616 20 30 EFEDHM CSc1ccc(Cl)c(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000880075079 1292359565 /nfs/dbraw/zinc/35/95/65/1292359565.db2.gz GDWGDMJFMBAHQS-JTQLQIEISA-N -1 3 329.809 2.564 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)c[nH]c2=O)c1 ZINC001190938975 1292378045 /nfs/dbraw/zinc/37/80/45/1292378045.db2.gz IOGJZDIQBZTUCU-UHFFFAOYSA-N -1 3 344.179 2.766 20 30 EFEDHM O=C(Nc1nc(C2CCCCC2)cs1)N[C@@H]1CCCN([O-])C1=O ZINC000880244349 1292423795 /nfs/dbraw/zinc/42/37/95/1292423795.db2.gz CWZIXNNZZFHPAD-LLVKDONJSA-N -1 3 338.433 2.693 20 30 EFEDHM CCCCCCCNC(=O)Nc1ncc(Br)[n-]c1=O ZINC001191118875 1292472224 /nfs/dbraw/zinc/47/22/24/1292472224.db2.gz RSOBLCGJPOGFHN-UHFFFAOYSA-N -1 3 331.214 2.624 20 30 EFEDHM O=C1C=C([N-]S(=O)(=O)c2ccc(F)cc2Br)CCC1 ZINC001191378427 1292521137 /nfs/dbraw/zinc/52/11/37/1292521137.db2.gz BPIWLQVSYNXCAG-UHFFFAOYSA-N -1 3 348.193 2.503 20 30 EFEDHM C=CCOC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233455320 1312935764 /nfs/dbraw/zinc/93/57/64/1312935764.db2.gz FYBGLQVHTNLFII-UHFFFAOYSA-N -1 3 344.333 2.851 20 30 EFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)cc1F ZINC000903615033 1312944388 /nfs/dbraw/zinc/94/43/88/1312944388.db2.gz PLQAMIJEUZFUPV-CYBMUJFWSA-N -1 3 344.383 2.724 20 30 EFEDHM Cc1ncc(C#N)cc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191866563 1292698781 /nfs/dbraw/zinc/69/87/81/1292698781.db2.gz VLISYGUORJMLRM-UHFFFAOYSA-N -1 3 339.779 2.996 20 30 EFEDHM Cc1nc(NCCC[C@H](C)NC(=O)c2ccccc2[O-])ccc1C#N ZINC001114842210 1292833739 /nfs/dbraw/zinc/83/37/39/1292833739.db2.gz NBWHIGSCSQHNNC-ZDUSSCGKSA-N -1 3 338.411 2.978 20 30 EFEDHM C=C1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC000958541386 1292870470 /nfs/dbraw/zinc/87/04/70/1292870470.db2.gz UDBBJRPEIIGPGR-RHSMWYFYSA-N -1 3 342.439 2.715 20 30 EFEDHM COc1ccc(OCc2cccc([N-]S(=O)(=O)[C@H](C)C#N)c2)cc1 ZINC001193149057 1293186182 /nfs/dbraw/zinc/18/61/82/1293186182.db2.gz JQDWCLKIGJUUFC-CYBMUJFWSA-N -1 3 346.408 2.928 20 30 EFEDHM COC(=O)c1ccc(-c2cccc([N-]S(=O)(=O)[C@@H](C)C#N)c2)cc1 ZINC001193150783 1293187150 /nfs/dbraw/zinc/18/71/50/1293187150.db2.gz JECXLODVLXJUBT-LBPRGKRZSA-N -1 3 344.392 2.794 20 30 EFEDHM Cc1nc(C#N)c([N-]C(=O)c2cc(Cl)cnc2Br)o1 ZINC001193262762 1293219820 /nfs/dbraw/zinc/21/98/20/1293219820.db2.gz YMUHALPCZGUDMG-UHFFFAOYSA-N -1 3 341.552 2.918 20 30 EFEDHM COc1cc(/C=N/[O-])ccc1O[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C ZINC001233803488 1312996011 /nfs/dbraw/zinc/99/60/11/1312996011.db2.gz QAWAAADTUDFPKB-VPWLGIPCSA-N -1 3 336.388 2.890 20 30 EFEDHM N#Cc1cccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c1[O-] ZINC001193657948 1293398127 /nfs/dbraw/zinc/39/81/27/1293398127.db2.gz MVGMVNAKPWWBIP-GOSISDBHSA-N -1 3 335.407 2.831 20 30 EFEDHM N#Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1[O-] ZINC001193657949 1293398502 /nfs/dbraw/zinc/39/85/02/1293398502.db2.gz MVGMVNAKPWWBIP-SFHVURJKSA-N -1 3 335.407 2.831 20 30 EFEDHM COc1ccc(C#N)c(S(=O)(=O)[N-]c2cc(O)ccc2Cl)c1 ZINC001193681383 1293408045 /nfs/dbraw/zinc/40/80/45/1293408045.db2.gz WECYUBOQULJZKE-UHFFFAOYSA-N -1 3 338.772 2.727 20 30 EFEDHM C=CC[C@@](C)(NC(=O)c1ccc([O-])cc1C(F)(F)F)C(=O)OC ZINC001193758863 1293437969 /nfs/dbraw/zinc/43/79/69/1293437969.db2.gz BYODUMMNLILTOV-CQSZACIVSA-N -1 3 331.290 2.649 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000883047810 1293441674 /nfs/dbraw/zinc/44/16/74/1293441674.db2.gz BEHYBMYIZCBBNE-VXGBXAGGSA-N -1 3 337.288 2.849 20 30 EFEDHM C#C[C@H](NCc1cc(Br)cc(F)c1[O-])[C@H]1CCCO1 ZINC000883091216 1293458615 /nfs/dbraw/zinc/45/86/15/1293458615.db2.gz HIAWMTDSMCKVFS-QWHCGFSZSA-N -1 3 328.181 2.564 20 30 EFEDHM N#Cc1cc([N-]S(=O)(=O)Cc2noc3ccccc23)ccc1F ZINC001194093449 1293529745 /nfs/dbraw/zinc/52/97/45/1293529745.db2.gz YKUAYOYSRQRXOP-UHFFFAOYSA-N -1 3 331.328 2.780 20 30 EFEDHM C=CCN1CCC2(CCN(Cc3c(F)cc([O-])cc3F)CC2)C1=O ZINC001273672135 1293553306 /nfs/dbraw/zinc/55/33/06/1293553306.db2.gz ZUGLIOXCLYUITH-UHFFFAOYSA-N -1 3 336.382 2.671 20 30 EFEDHM COc1c(Cl)c(Cl)sc1C(=O)[N-]c1nnccc1C#N ZINC001194548440 1293664290 /nfs/dbraw/zinc/66/42/90/1293664290.db2.gz MNDBYMIKSFUYMG-UHFFFAOYSA-N -1 3 329.168 2.977 20 30 EFEDHM CC(=O)Nc1ccc(NC(=O)c2cnc(C(F)(F)F)[n-]2)cc1C#N ZINC001194781807 1293708503 /nfs/dbraw/zinc/70/85/03/1293708503.db2.gz JDNYJZCESVEEFW-UHFFFAOYSA-N -1 3 337.261 2.511 20 30 EFEDHM CCOc1cccc([C@@H]2C[C@@H]2/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000775630300 1293785149 /nfs/dbraw/zinc/78/51/49/1293785149.db2.gz KRSUBIMCVCTVGG-RSMKWKGQSA-N -1 3 326.396 2.962 20 30 EFEDHM CCc1ncc(Br)c(C(=O)[N-]c2occ(C)c2C#N)n1 ZINC001195154807 1293832638 /nfs/dbraw/zinc/83/26/38/1293832638.db2.gz UGDOHXHDYHVFOJ-UHFFFAOYSA-N -1 3 335.161 2.827 20 30 EFEDHM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)c(F)ccc1[N+](=O)[O-] ZINC000800051279 1293896577 /nfs/dbraw/zinc/89/65/77/1293896577.db2.gz IRSNVPNYTNIDAR-UHFFFAOYSA-N -1 3 335.316 2.715 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2[nH]ccc2C)c(C)c1[O-] ZINC001195495447 1293943350 /nfs/dbraw/zinc/94/33/50/1293943350.db2.gz CYDTVJYCIXIDRQ-UHFFFAOYSA-N -1 3 327.340 2.638 20 30 EFEDHM CC(C)(C)OC(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001203906719 1313044650 /nfs/dbraw/zinc/04/46/50/1313044650.db2.gz VYONZOGXRDMUOQ-HNNXBMFYSA-N -1 3 329.400 2.574 20 30 EFEDHM N#Cc1nc2ccc([N-]S(=O)(=O)c3ccc(O)cc3)cc2s1 ZINC001195796863 1294038135 /nfs/dbraw/zinc/03/81/35/1294038135.db2.gz RUWKNGFMNATTRM-UHFFFAOYSA-N -1 3 331.378 2.674 20 30 EFEDHM C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C(=O)[O-])s1 ZINC001273718638 1294204476 /nfs/dbraw/zinc/20/44/76/1294204476.db2.gz HEUZZGGAFFSVDM-ZIAGYGMSSA-N -1 3 334.441 2.588 20 30 EFEDHM COc1cccc(-c2cc([O-])cc(C(=O)Nc3[nH]cnc3C#N)c2)c1 ZINC001196365177 1294227929 /nfs/dbraw/zinc/22/79/29/1294227929.db2.gz KXENNQOXHSDMCN-UHFFFAOYSA-N -1 3 334.335 2.915 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](Oc2cc([O-])cc(C#N)c2)C(F)(F)C1 ZINC001234139655 1313066884 /nfs/dbraw/zinc/06/68/84/1313066884.db2.gz IUYVCJJHGDJCBE-ZDUSSCGKSA-N -1 3 340.326 2.897 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc([O-])cc(C#N)c2)C(F)(F)C1 ZINC001234139651 1313066944 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EFEDHM O=C([C@H]1CCCCS1(=O)=O)N([O-])Cc1cccc2ccccc21 ZINC000901370700 1310251717 /nfs/dbraw/zinc/25/17/17/1310251717.db2.gz DUJOBJYQQWRBIG-MRXNPFEDSA-N -1 3 333.409 2.525 20 30 EFEDHM CC1CCC(N2C[C@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)CC1 ZINC000901371895 1310254623 /nfs/dbraw/zinc/25/46/23/1310254623.db2.gz KHSANMCEVPOTRV-GNHJJJEISA-N -1 3 348.418 2.971 20 30 EFEDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000901374828 1310263927 /nfs/dbraw/zinc/26/39/27/1310263927.db2.gz SSRAUVDKCMNGLB-ZFWWWQNUSA-N -1 3 336.407 2.828 20 30 EFEDHM O=C(Cc1cnn(-c2ccccc2)c1)N([O-])Cc1ccc(F)cc1 ZINC000901375438 1310265359 /nfs/dbraw/zinc/26/53/59/1310265359.db2.gz HWZKWLPBSSTPTL-UHFFFAOYSA-N -1 3 325.343 2.972 20 30 EFEDHM O=C(CCc1nc2ccccc2c(=O)[nH]1)N([O-])Cc1ccc(F)cc1 ZINC000901378150 1310273893 /nfs/dbraw/zinc/27/38/93/1310273893.db2.gz DDSQHDIYXHEVBL-UHFFFAOYSA-N -1 3 341.342 2.825 20 30 EFEDHM Cc1cc(C(=O)/C=C\c2cnc(N3CCCC3)nc2)cc(O)c1[O-] ZINC000901521798 1310603009 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Cc1cc(=O)c(C#N)c(O[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC001225467562 1311528113 /nfs/dbraw/zinc/52/81/13/1311528113.db2.gz SVPDQHKTLCPXER-GFCCVEGCSA-N -1 3 333.388 2.746 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCC23CN(C(=O)OC(C)(C)C)C3)[n-]1 ZINC001225470597 1311528454 /nfs/dbraw/zinc/52/84/54/1311528454.db2.gz XKFPAWJIMDOFON-AWEZNQCLSA-N -1 3 345.399 2.746 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-]1 ZINC001225470759 1311528529 /nfs/dbraw/zinc/52/85/29/1311528529.db2.gz ZYLNIJVVFWIRID-LBPRGKRZSA-N -1 3 340.339 2.533 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)[n-]1 ZINC001225470060 1311528687 /nfs/dbraw/zinc/52/86/87/1311528687.db2.gz QAYOJTFLEGPIKR-IAQYHMDHSA-N -1 3 347.415 2.992 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)[n-]1 ZINC001225470062 1311528790 /nfs/dbraw/zinc/52/87/90/1311528790.db2.gz QAYOJTFLEGPIKR-NHYWBVRUSA-N -1 3 347.415 2.992 20 30 EFEDHM C=C[C@H]1C[C@]1(NC(F)(F)c1cc(Cl)nc(=S)[n-]1)C(=O)OCC 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CCOC(=O)Cc1cnc(=S)[n-]c1O[C@H](C#N)c1ccccc1F ZINC001228716037 1311987546 /nfs/dbraw/zinc/98/75/46/1311987546.db2.gz LVRYFFVIILSIRA-CYBMUJFWSA-N -1 3 347.371 2.654 20 30 EFEDHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C)C#C[Si](C)(C)C ZINC001228714451 1311987616 /nfs/dbraw/zinc/98/76/16/1311987616.db2.gz QUAVJBYRSUVUHB-NSHDSACASA-N -1 3 338.505 2.519 20 30 EFEDHM C#C[C@@H]1CCC[C@H]1Oc1nc(=O)[n-]c2c1CCN(Cc1ccccc1)C2 ZINC001230185126 1312201505 /nfs/dbraw/zinc/20/15/05/1312201505.db2.gz AIBUVFZSEWQKEK-VQIMIIECSA-N -1 3 349.434 2.921 20 30 EFEDHM CSc1nc(Cl)c(/C=N/[O-])c(NCc2ccc3nccn3c2)n1 ZINC001163137014 1312249339 /nfs/dbraw/zinc/24/93/39/1312249339.db2.gz VRPLFMHDMDVMRO-CNHKJKLMSA-N -1 3 348.819 2.920 20 30 EFEDHM CN(C)c1nccc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC001163764900 1312380769 /nfs/dbraw/zinc/38/07/69/1312380769.db2.gz DPUVZOCEYOAVSC-UHFFFAOYSA-N -1 3 341.293 2.689 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1CCC(=O)CC1 ZINC000803263261 1312437609 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C=CCOc1ccc(-c2noc(C3CC(=O)C=C([O-])C3)n2)c(F)c1 ZINC001247546116 1314801015 /nfs/dbraw/zinc/80/10/15/1314801015.db2.gz AWRBFZDNYFZQBS-UHFFFAOYSA-N -1 3 330.315 2.846 20 30 EFEDHM CCCOc1ccc(F)c([N-]c2nc(C#N)c(C#N)nc2N)c1F ZINC001215566728 1314852334 /nfs/dbraw/zinc/85/23/34/1314852334.db2.gz BETOEYZDNJNZKD-UHFFFAOYSA-N -1 3 330.298 2.613 20 30 EFEDHM CC(=O)[N-]C(=O)c1cccc(-c2nc(-c3cccc(C#N)c3)no2)c1C ZINC001216961289 1315026692 /nfs/dbraw/zinc/02/66/92/1315026692.db2.gz FYHPJEBSCNVPAB-UHFFFAOYSA-N -1 3 346.346 2.860 20 30 EFEDHM CCCCc1ccc(NC(=S)N[C@@H]2C(=O)N([O-])C[C@@H]2C)c(C)c1 ZINC001249822273 1315142430 /nfs/dbraw/zinc/14/24/30/1315142430.db2.gz YJBBRMYVUDLKAF-WFASDCNBSA-N -1 3 335.473 2.860 20 30 EFEDHM N#Cc1ccccc1C[C@H](N)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001219310374 1315299188 /nfs/dbraw/zinc/29/91/88/1315299188.db2.gz APTWQMDIHXFPCY-ZDUSSCGKSA-N -1 3 349.312 2.791 20 30 EFEDHM N#Cc1ccc(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)c([O-])c1 ZINC001251336019 1315341627 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30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccnc2)C(F)(F)F)cc1 ZINC001258142838 1316124579 /nfs/dbraw/zinc/12/45/79/1316124579.db2.gz CIAHBUPBWGBRMH-CYBMUJFWSA-N -1 3 341.314 2.535 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)o1 ZINC001258901476 1316190545 /nfs/dbraw/zinc/19/05/45/1316190545.db2.gz KVZMXNJBGYKYSM-UHFFFAOYSA-N -1 3 331.180 2.937 20 30 EFEDHM Cc1ccnc(F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107087 1316210213 /nfs/dbraw/zinc/21/02/13/1316210213.db2.gz COJFVPFKRPOOIN-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1C#N ZINC001259357489 1316232575 /nfs/dbraw/zinc/23/25/75/1316232575.db2.gz ICSUCUKGTQWXEC-UHFFFAOYSA-N -1 3 328.393 2.911 20 30 EFEDHM N#CCc1cccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC001259370415 1316234349 /nfs/dbraw/zinc/23/43/49/1316234349.db2.gz OOZCPZKVVMUZFZ-UHFFFAOYSA-N -1 3 338.392 2.739 20 30 EFEDHM Cc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1C#N ZINC001259370603 1316234403 /nfs/dbraw/zinc/23/44/03/1316234403.db2.gz RJISGXFQHWWKCE-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM CCN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 ZINC001259419701 1316240343 /nfs/dbraw/zinc/24/03/43/1316240343.db2.gz ONWIFCMKETXCRN-UHFFFAOYSA-N -1 3 333.388 2.954 20 30 EFEDHM O=S(=O)([N-]CCCCCCS)c1cc(F)c(F)c(F)c1 ZINC001259505272 1316253319 /nfs/dbraw/zinc/25/33/19/1316253319.db2.gz GKLRFTSRPJTARF-UHFFFAOYSA-N -1 3 327.393 2.872 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)CCc2cccc(F)c2)c(F)c1F ZINC001259773618 1316276019 /nfs/dbraw/zinc/27/60/19/1316276019.db2.gz VJKPLEKAUBOFTN-UHFFFAOYSA-N -1 3 340.326 2.960 20 30 EFEDHM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)C2CCOCC2)nc1 ZINC001259917091 1316297733 /nfs/dbraw/zinc/29/77/33/1316297733.db2.gz WNGKLMJEPQDVRW-UHFFFAOYSA-N -1 3 343.408 2.541 20 30 EFEDHM CC(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001260000296 1316304546 /nfs/dbraw/zinc/30/45/46/1316304546.db2.gz DNGOBYJFLYYPQC-ZDUSSCGKSA-N -1 3 325.415 2.620 20 30 EFEDHM COc1cc(C=NNCC2CCOCC2)cc(Br)c1[O-] ZINC001318557427 1328638466 /nfs/dbraw/zinc/63/84/66/1328638466.db2.gz LIFWEYBBASVBTJ-UHFFFAOYSA-N -1 3 343.221 2.513 20 30 EFEDHM CCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(-c2cnco2)s1 ZINC001260003235 1316305000 /nfs/dbraw/zinc/30/50/00/1316305000.db2.gz GSFBSMDNKBSIRG-ZDUSSCGKSA-N -1 3 325.415 2.764 20 30 EFEDHM N#CC1([N-]S(=O)(=O)c2ccc(-c3cnco3)s2)CCCCC1 ZINC001260001513 1316305017 /nfs/dbraw/zinc/30/50/17/1316305017.db2.gz UCJVCXYRUCMIKB-UHFFFAOYSA-N -1 3 337.426 2.908 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cncc(C(F)(F)F)c2)cc1 ZINC001260038399 1316310195 /nfs/dbraw/zinc/31/01/95/1316310195.db2.gz DSCXVBOSQMVCMJ-UHFFFAOYSA-N -1 3 341.314 2.914 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cccc3c2cc[nH]c3=O)cc1 ZINC001260043931 1316310771 /nfs/dbraw/zinc/31/07/71/1316310771.db2.gz RUAHPFTZRVFJTP-UHFFFAOYSA-N -1 3 339.376 2.754 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cccc3ccc(=O)[nH]c32)cc1 ZINC001260045759 1316310958 /nfs/dbraw/zinc/31/09/58/1316310958.db2.gz JIHCKQGTLKYTIV-UHFFFAOYSA-N -1 3 339.376 2.754 20 30 EFEDHM CC(=O)/C=C(/C)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC001261011358 1316384765 /nfs/dbraw/zinc/38/47/65/1316384765.db2.gz OMWFUZWJOWSUHD-ALCCZGGFSA-N -1 3 325.283 2.616 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001261263983 1316400042 /nfs/dbraw/zinc/40/00/42/1316400042.db2.gz YNASXZKYHJBCDT-ZETCQYMHSA-N -1 3 341.742 2.724 20 30 EFEDHM COc1c([O-])ccc(C=NNc2ccc(C(C)(C)C)nn2)c1[N+](=O)[O-] ZINC001261277580 1316401017 /nfs/dbraw/zinc/40/10/17/1316401017.db2.gz DJSOSAMZHTTWED-UHFFFAOYSA-N -1 3 345.359 2.843 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 ZINC001262962689 1316509479 /nfs/dbraw/zinc/50/94/79/1316509479.db2.gz UEGRKYWOQYVAQD-VXGBXAGGSA-N -1 3 349.460 2.935 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CCCC[C@H](C)C1 ZINC001262988106 1316513050 /nfs/dbraw/zinc/51/30/50/1316513050.db2.gz LUVZJRWQMIBUQS-LBPRGKRZSA-N -1 3 328.420 2.562 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001263285355 1316526782 /nfs/dbraw/zinc/52/67/82/1316526782.db2.gz FHKQGNCOCURRJH-WFASDCNBSA-N -1 3 342.447 2.950 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@H](C)C(C)(C)C1 ZINC001263316078 1316529960 /nfs/dbraw/zinc/52/99/60/1316529960.db2.gz MNVSIGPWOAJALC-ZDUSSCGKSA-N -1 3 342.447 2.889 20 30 EFEDHM N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001041546896 1316585333 /nfs/dbraw/zinc/58/53/33/1316585333.db2.gz GQHWNTGQLHHCIK-DLBZAZTESA-N -1 3 348.406 2.812 20 30 EFEDHM COc1c([O-])c(C=NNc2ccc(C(C)(C)C)nn2)ccc1[N+](=O)[O-] ZINC001320993904 1329328964 /nfs/dbraw/zinc/32/89/64/1329328964.db2.gz JTOZVBUSFTWETA-UHFFFAOYSA-N -1 3 345.359 2.843 20 30 EFEDHM COc1c([O-])c(CN=Nc2ccc(C(C)(C)C)nn2)ccc1[N+](=O)[O-] ZINC001320993904 1329328967 /nfs/dbraw/zinc/32/89/67/1329328967.db2.gz JTOZVBUSFTWETA-UHFFFAOYSA-N -1 3 345.359 2.843 20 30 EFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1F ZINC001321018618 1329332012 /nfs/dbraw/zinc/33/20/12/1329332012.db2.gz DSVZPYOFLXKWDS-GFCCVEGCSA-N -1 3 349.225 2.556 20 30 EFEDHM COc1c([O-])c(CNc2ccc(OCC#N)cc2)ccc1[N+](=O)[O-] ZINC001322150666 1329433032 /nfs/dbraw/zinc/43/30/32/1329433032.db2.gz WSERGVKDWMCQHM-UHFFFAOYSA-N -1 3 329.312 2.823 20 30 EFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(C)cn1 ZINC001322591127 1329470162 /nfs/dbraw/zinc/47/01/62/1329470162.db2.gz YLVIKXCPDIXESY-UHFFFAOYSA-N -1 3 340.408 2.744 20 30 EFEDHM C=CCCn1cc(CNC[C@H](Cc2ccccc2Cl)C(=O)[O-])nn1 ZINC001327066835 1330408412 /nfs/dbraw/zinc/40/84/12/1330408412.db2.gz OPOWVQRAPNPIDE-AWEZNQCLSA-N -1 3 348.834 2.541 20 30 EFEDHM O=C(Nc1ccc(SC(F)(F)F)cc1)N[C@H]1CCCN([O-])C1=O ZINC001331098040 1330794469 /nfs/dbraw/zinc/79/44/69/1330794469.db2.gz KCJFJXVKSQMIGN-JTQLQIEISA-N -1 3 349.334 2.800 20 30 EFEDHM CC#CC[C@H](NCc1ccc(OC(F)F)cc1OC(F)F)C(=O)[O-] ZINC001332032962 1330907410 /nfs/dbraw/zinc/90/74/10/1330907410.db2.gz RCTFGAGPCRGUHG-NSHDSACASA-N -1 3 349.280 2.846 20 30 EFEDHM COc1cccc2cc(C/N=C3/[N-]S(=O)(=O)c4ccccc43)oc21 ZINC001338460535 1331709203 /nfs/dbraw/zinc/70/92/03/1331709203.db2.gz LQGFPEMLBILOQQ-UHFFFAOYSA-N -1 3 342.376 2.680 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2C)c1[O-] ZINC001338690932 1331725758 /nfs/dbraw/zinc/72/57/58/1331725758.db2.gz XUQUMDGEGZYLNO-CYBMUJFWSA-N -1 3 325.416 2.902 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H](C)CCSCC ZINC001338834913 1331743997 /nfs/dbraw/zinc/74/39/97/1331743997.db2.gz SHBAVHQPPNXGKJ-LBPRGKRZSA-N -1 3 348.476 2.595 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@H](OCC)C3)n2C)c1[O-] ZINC001339317221 1331840888 /nfs/dbraw/zinc/84/08/88/1331840888.db2.gz QNKPBCYKEYMEJB-HNNXBMFYSA-N -1 3 342.443 2.922 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C2CCN(c3cccc(F)c3)CC2)c1[O-] ZINC001339329026 1331842799 /nfs/dbraw/zinc/84/27/99/1331842799.db2.gz YJVPQZIBAPXCDB-SSDVNMTOSA-N -1 3 343.402 2.815 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](CC)CC1 ZINC001339606922 1331910873 /nfs/dbraw/zinc/91/08/73/1331910873.db2.gz PDAOUBUEECRQEH-CYBMUJFWSA-N -1 3 328.420 2.643 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCCC[C@H](SCC)C1 ZINC001339656773 1331922273 /nfs/dbraw/zinc/92/22/73/1331922273.db2.gz IXJLJZWSGHEMQV-LBPRGKRZSA-N -1 3 349.460 2.937 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(CC(F)F)C1CCC1 ZINC001342085812 1332302935 /nfs/dbraw/zinc/30/29/35/1332302935.db2.gz HIYINJUPXUEPDJ-UHFFFAOYSA-N -1 3 339.346 2.839 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(CC)C1CCCCC1 ZINC001342149896 1332310688 /nfs/dbraw/zinc/31/06/88/1332310688.db2.gz LIRJSYNEFKKECZ-UHFFFAOYSA-N -1 3 328.420 2.786 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](OCCC)CC1 ZINC001342198284 1332316104 /nfs/dbraw/zinc/31/61/04/1332316104.db2.gz PVCNOQHQKSQSEG-ZDUSSCGKSA-N -1 3 347.419 2.610 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)[C@@H](C)CCSC ZINC001343639114 1332364947 /nfs/dbraw/zinc/36/49/47/1332364947.db2.gz FZOUKEOVZUAXCA-NSHDSACASA-N -1 3 337.449 2.793 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1ccoc1C ZINC001343641625 1332364957 /nfs/dbraw/zinc/36/49/57/1332364957.db2.gz SVWDLVZODZNQFI-UHFFFAOYSA-N -1 3 329.360 2.753 20 30 EFEDHM N#CC(=C([O-])c1cnn2c1OCCC2)c1nc2c(cccc2Cl)[nH]1 ZINC001344367265 1332447145 /nfs/dbraw/zinc/44/71/45/1332447145.db2.gz CWTMFDOYCNZXMQ-SECBINFHSA-N -1 3 341.758 2.685 20 30 EFEDHM N#CC(=C([O-])c1cnn2c1OCCC2)c1nc2c(cccc2Cl)[nH]1 ZINC001344367266 1332447172 /nfs/dbraw/zinc/44/71/72/1332447172.db2.gz CWTMFDOYCNZXMQ-VIFPVBQESA-N -1 3 341.758 2.685 20 30 EFEDHM C=CC[C@@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2CC2CC2)C1 ZINC001345978695 1332589631 /nfs/dbraw/zinc/58/96/31/1332589631.db2.gz XGZPSSACRQIEKC-GFCCVEGCSA-N -1 3 329.404 2.841 20 30 EFEDHM CC(C)(C)c1ccc(C2(C(=O)N[C@H]3CCCN([O-])C3=O)CC2)cc1 ZINC001346478690 1332646891 /nfs/dbraw/zinc/64/68/91/1332646891.db2.gz UTBGHEOIYGUCDX-HNNXBMFYSA-N -1 3 330.428 2.512 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C)c1[O-] ZINC001351291891 1333207656 /nfs/dbraw/zinc/20/76/56/1333207656.db2.gz RQLXANWQVCUATG-GOSISDBHSA-N -1 3 341.390 2.748 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000848132722 1334344753 /nfs/dbraw/zinc/34/47/53/1334344753.db2.gz UPHIQFKQTVFTIM-CWSCBRNRSA-N -1 3 343.210 2.593 20 30 EFEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(Cc2cccs2)CCCCC1 ZINC000848132664 1334345267 /nfs/dbraw/zinc/34/52/67/1334345267.db2.gz OLCPKNMUQFMZCP-AWEZNQCLSA-N -1 3 336.457 2.738 20 30 EFEDHM Cc1nc(-c2ccccc2C)sc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848134349 1334347125 /nfs/dbraw/zinc/34/71/25/1334347125.db2.gz SIXYBNGVTMGHJE-ZDUSSCGKSA-N -1 3 345.424 2.537 20 30 EFEDHM C[C@@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(Cl)c(Cl)c1 ZINC000848135200 1334348209 /nfs/dbraw/zinc/34/82/09/1334348209.db2.gz AQMJJSCTKVFUTH-PELKAZGASA-N -1 3 331.199 2.593 20 30 EFEDHM CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc2ccccc2c1 ZINC000848135286 1334348387 /nfs/dbraw/zinc/34/83/87/1334348387.db2.gz BOTWRCWCBVIDJA-MRXNPFEDSA-N -1 3 326.396 2.614 20 30 EFEDHM Cc1ccc(SC2(C(=O)N[C@H]3CCCN([O-])C3=O)CCCC2)cc1 ZINC000848136914 1334348501 /nfs/dbraw/zinc/34/85/01/1334348501.db2.gz UHLFLFLTNQQYRH-HNNXBMFYSA-N -1 3 348.468 2.896 20 30 EFEDHM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848135893 1334348527 /nfs/dbraw/zinc/34/85/27/1334348527.db2.gz QSXIANKIHQRUBA-LJTDUEICSA-N -1 3 343.210 2.893 20 30 EFEDHM Cc1ccc(Nc2ccccc2C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848137379 1334349554 /nfs/dbraw/zinc/34/95/54/1334349554.db2.gz DYLAWPSZYIMKOU-QGZVFWFLSA-N -1 3 339.395 2.849 20 30 EFEDHM Cc1ccccc1C1(C(=O)N[C@H]2CCCN([O-])C2=O)CCCCC1 ZINC000848138952 1334350304 /nfs/dbraw/zinc/35/03/04/1334350304.db2.gz QSLPQBGTNSZYKA-INIZCTEOSA-N -1 3 330.428 2.693 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1sccc1-c1ccc(F)cc1 ZINC000848139550 1334351891 /nfs/dbraw/zinc/35/18/91/1334351891.db2.gz YJWKNMCTPVNCMG-CYBMUJFWSA-N -1 3 334.372 2.664 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCCC(F)(F)CC1 ZINC001356463956 1335040066 /nfs/dbraw/zinc/04/00/66/1335040066.db2.gz VNKQIOBPLMNUQV-UHFFFAOYSA-N -1 3 339.346 2.840 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001356463524 1335040234 /nfs/dbraw/zinc/04/02/34/1335040234.db2.gz QQDNDEBVSDNXFP-CYBMUJFWSA-N -1 3 329.404 2.841 20 30 EFEDHM COc1cc(C(=O)/C=C\c2c(C3CC3)cnn2C)c(OC)cc1[O-] ZINC000849245999 1335576432 /nfs/dbraw/zinc/57/64/32/1335576432.db2.gz DIFQBJWPXZCDHF-SREVYHEPSA-N -1 3 328.368 2.916 20 30 EFEDHM C[C@H](CNC(=O)c1ccccc1[O-])N(C)Cc1ccc(C#N)cc1F ZINC001394041412 1357412556 /nfs/dbraw/zinc/41/25/56/1357412556.db2.gz FFESOOMJGZXWGW-CYBMUJFWSA-N -1 3 341.386 2.653 20 30 EFEDHM N#CC1(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CCCCC1 ZINC001417553459 1373027602 /nfs/dbraw/zinc/02/76/02/1373027602.db2.gz RJSNIMLHUWJDKR-UHFFFAOYSA-N -1 3 328.351 2.808 20 30 EFEDHM N#CC1(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CCCCC1 ZINC001417553459 1373027611 /nfs/dbraw/zinc/02/76/11/1373027611.db2.gz RJSNIMLHUWJDKR-UHFFFAOYSA-N -1 3 328.351 2.808 20 30 EFEDHM N#Cc1ccccc1CN(CCNC(=O)c1ccccc1[O-])C1CC1 ZINC001418740277 1374444128 /nfs/dbraw/zinc/44/41/28/1374444128.db2.gz SLOYSIFPRJJPKV-UHFFFAOYSA-N -1 3 335.407 2.658 20 30 EFEDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc3ccccc3cc2C#N)o1 ZINC001460852058 1396263316 /nfs/dbraw/zinc/26/33/16/1396263316.db2.gz NZBCBWXUTPGJHJ-UHFFFAOYSA-N -1 3 340.360 2.960 20 30 EFEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001463830566 1396523697 /nfs/dbraw/zinc/52/36/97/1396523697.db2.gz RGIGHLXFDVPZKS-OAHLLOKOSA-N -1 3 332.367 2.578 20 30 EFEDHM N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001463830566 1396523700 /nfs/dbraw/zinc/52/37/00/1396523700.db2.gz RGIGHLXFDVPZKS-OAHLLOKOSA-N -1 3 332.367 2.578 20 30 EFEDHM COc1ncc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1C#N ZINC001471782264 1397205107 /nfs/dbraw/zinc/20/51/07/1397205107.db2.gz UJGODILSXJCPHC-UHFFFAOYSA-N -1 3 329.331 2.768 20 30 EFEDHM C[C@H](CN(C)Cc1ccc(C#N)s1)NC(=O)c1ccccc1[O-] ZINC001498229820 1401930998 /nfs/dbraw/zinc/93/09/98/1401930998.db2.gz XCXPECIEBGLBGB-GFCCVEGCSA-N -1 3 329.425 2.576 20 30 EFEDHM CCCCN([O-])C(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccncc1 ZINC001552305690 1414417442 /nfs/dbraw/zinc/41/74/42/1414417442.db2.gz YBDDYZATLMKATK-WBVHZDCISA-N -1 3 331.416 2.542 20 30 EFEDHM Cc1ccc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)c([O-])c1C ZINC001556535180 1415074817 /nfs/dbraw/zinc/07/48/17/1415074817.db2.gz MHVCMUBKSAHIFJ-UHFFFAOYSA-N -1 3 347.378 2.901 20 30 EFEDHM Cc1cnc(C[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)o1 ZINC001561331428 1415313754 /nfs/dbraw/zinc/31/37/54/1415313754.db2.gz JZWKRCYYSQOUIW-UHFFFAOYSA-N -1 3 347.421 2.856 20 30 EFEDHM N#Cc1cccc(C2(NCc3ccc(F)cc3-c3nn[n-]n3)CC2)c1 ZINC000826386643 1423735858 /nfs/dbraw/zinc/73/58/58/1423735858.db2.gz MYCXUCAOGLLMLB-UHFFFAOYSA-N -1 3 334.358 2.656 20 30 EFEDHM N#Cc1cccc(C2(NCc3ccc(F)cc3-c3nnn[n-]3)CC2)c1 ZINC000826386643 1423735863 /nfs/dbraw/zinc/73/58/63/1423735863.db2.gz MYCXUCAOGLLMLB-UHFFFAOYSA-N -1 3 334.358 2.656 20 30 EFEDHM CC(C)CN(CCC#N)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820086762 1427995335 /nfs/dbraw/zinc/99/53/35/1427995335.db2.gz DXRIPIWZKRXGSL-UHFFFAOYSA-N -1 3 328.420 2.507 20 30 EFEDHM CC(C)CN(CCC#N)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820086762 1427995338 /nfs/dbraw/zinc/99/53/38/1427995338.db2.gz DXRIPIWZKRXGSL-UHFFFAOYSA-N -1 3 328.420 2.507 20 30 EFEDHM CC(C)CN(CCC#N)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735827995 1441766015 /nfs/dbraw/zinc/76/60/15/1441766015.db2.gz WREKUPWCRAGMIF-UHFFFAOYSA-N -1 3 328.420 2.507 20 30 EFEDHM CC(C)CN(CCC#N)CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735827995 1441766019 /nfs/dbraw/zinc/76/60/19/1441766019.db2.gz WREKUPWCRAGMIF-UHFFFAOYSA-N -1 3 328.420 2.507 20 30 EFEDHM COCC#CCN[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826147144 1443477153 /nfs/dbraw/zinc/47/71/53/1443477153.db2.gz OKLYGXPPZJFMJF-OAHLLOKOSA-N -1 3 347.422 2.834 20 30 EFEDHM COCC#CCN[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826147144 1443477155 /nfs/dbraw/zinc/47/71/55/1443477155.db2.gz OKLYGXPPZJFMJF-OAHLLOKOSA-N -1 3 347.422 2.834 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824035245 1443715751 /nfs/dbraw/zinc/71/57/51/1443715751.db2.gz UZHHKHMEYCEVKU-CQSZACIVSA-N -1 3 348.410 2.790 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CN(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824035245 1443715755 /nfs/dbraw/zinc/71/57/55/1443715755.db2.gz UZHHKHMEYCEVKU-CQSZACIVSA-N -1 3 348.410 2.790 20 30 EFEDHM C=CCN(Cc1cccs1)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819745424 1443814910 /nfs/dbraw/zinc/81/49/10/1443814910.db2.gz CDZHFGVOQONNTP-INIZCTEOSA-N -1 3 341.440 2.650 20 30 EFEDHM C=CCN(Cc1cccs1)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819745424 1443814913 /nfs/dbraw/zinc/81/49/13/1443814913.db2.gz CDZHFGVOQONNTP-INIZCTEOSA-N -1 3 341.440 2.650 20 30 EFEDHM CC(C)CN(Cc1ccc(C#N)o1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824261773 1443826555 /nfs/dbraw/zinc/82/65/55/1443826555.db2.gz PZJSJBQZPBWENM-UHFFFAOYSA-N -1 3 336.399 2.990 20 30 EFEDHM CC(C)CN(Cc1ccc(C#N)o1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824261773 1443826556 /nfs/dbraw/zinc/82/65/56/1443826556.db2.gz PZJSJBQZPBWENM-UHFFFAOYSA-N -1 3 336.399 2.990 20 30 EFEDHM N#CCc1ccc(CNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826382407 1446971544 /nfs/dbraw/zinc/97/15/44/1446971544.db2.gz CYWKXPXEZLCABN-UHFFFAOYSA-N -1 3 330.395 2.712 20 30 EFEDHM N#CCc1ccc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826382407 1446971547 /nfs/dbraw/zinc/97/15/47/1446971547.db2.gz CYWKXPXEZLCABN-UHFFFAOYSA-N -1 3 330.395 2.712 20 30 EFEDHM C=CCN(Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)C(C)C ZINC000823909634 1449706870 /nfs/dbraw/zinc/70/68/70/1449706870.db2.gz LRDLZEMLJZKGQR-UHFFFAOYSA-N -1 3 337.431 2.757 20 30 EFEDHM C=CCN(Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)C(C)C ZINC000823909634 1449706876 /nfs/dbraw/zinc/70/68/76/1449706876.db2.gz LRDLZEMLJZKGQR-UHFFFAOYSA-N -1 3 337.431 2.757 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001020781496 713396500 /nfs/dbraw/zinc/39/65/00/713396500.db2.gz WKCRRPQTMQHWAL-LSDHHAIUSA-N -1 3 344.455 2.819 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001020781495 713396511 /nfs/dbraw/zinc/39/65/11/713396511.db2.gz WKCRRPQTMQHWAL-HUUCEWRRSA-N -1 3 344.455 2.819 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccoc1)C1CC1 ZINC000889098697 713415849 /nfs/dbraw/zinc/41/58/49/713415849.db2.gz MDLCNZRBVJAYHN-UHFFFAOYSA-N -1 3 339.395 2.993 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(CC(C)C)n1 ZINC000892495388 717959021 /nfs/dbraw/zinc/95/90/21/717959021.db2.gz AXCXIBHZUMFDQP-CYBMUJFWSA-N -1 3 340.383 2.509 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000160716465 714448513 /nfs/dbraw/zinc/44/85/13/714448513.db2.gz KJHMJQIQFHGJBY-UHFFFAOYSA-N -1 3 326.736 2.857 20 30 EFEDHM Cn1cnn(-c2ccc(N=Cc3cc(Cl)ccc3[O-])cc2)c1=O ZINC000255306915 714609022 /nfs/dbraw/zinc/60/90/22/714609022.db2.gz ZCFXXMSABVRKDD-UHFFFAOYSA-N -1 3 328.759 2.681 20 30 EFEDHM C#CCOc1ccc(F)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000255371003 714856871 /nfs/dbraw/zinc/85/68/71/714856871.db2.gz ISJJBECMWUDMFI-PTNGSMBKSA-N -1 3 336.322 2.561 20 30 EFEDHM O=[N+]([O-])c1ccc([O-])c(/C=N\C2CCN(Cc3ccncc3)CC2)c1 ZINC000255470792 715265721 /nfs/dbraw/zinc/26/57/21/715265721.db2.gz IPSPYYZFGMBZOG-NDENLUEZSA-N -1 3 340.383 2.779 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)Cc1ccccc1 ZINC000072062593 715304682 /nfs/dbraw/zinc/30/46/82/715304682.db2.gz VHCCFVXFTDSGDP-CYBMUJFWSA-N -1 3 338.407 2.970 20 30 EFEDHM COC(=O)c1cccc2[n-]c(NC(=O)C=Cc3ccccc3C#N)nc21 ZINC000255547264 715794815 /nfs/dbraw/zinc/79/48/15/715794815.db2.gz SGCCULKJNJLLDM-KTKRTIGZSA-N -1 3 346.346 2.873 20 30 EFEDHM N#Cc1ccc(O[C@H]2CCN(Cc3cc(F)cc(F)c3[O-])C2)nc1 ZINC000894841203 722887533 /nfs/dbraw/zinc/88/75/33/722887533.db2.gz YQORDNRJYWEJSA-AWEZNQCLSA-N -1 3 331.322 2.590 20 30 EFEDHM N#Cc1ccccc1CN1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001023240339 716240472 /nfs/dbraw/zinc/24/04/72/716240472.db2.gz IGQXDADAZHHKLT-INIZCTEOSA-N -1 3 349.434 2.906 20 30 EFEDHM C#CCOc1cc(F)ccc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000157511152 716285671 /nfs/dbraw/zinc/28/56/71/716285671.db2.gz CTXOVONRUKERQS-RVDMUPIBSA-N -1 3 336.322 2.561 20 30 EFEDHM C#CCOc1ccc(F)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000157513858 716290902 /nfs/dbraw/zinc/29/09/02/716290902.db2.gz ISJJBECMWUDMFI-RVDMUPIBSA-N -1 3 336.322 2.561 20 30 EFEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1cnc(C(C)(C)C)s1 ZINC000255582962 716572924 /nfs/dbraw/zinc/57/29/24/716572924.db2.gz MQOZTLDRGDSFDF-FJOGCWAESA-N -1 3 342.424 2.779 20 30 EFEDHM C#CC[C@@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)C(C)(C)C ZINC000159811400 716780881 /nfs/dbraw/zinc/78/08/81/716780881.db2.gz QUUMLDYHNHXXGV-CQSZACIVSA-N -1 3 341.404 2.792 20 30 EFEDHM C=C1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC000979246404 716846664 /nfs/dbraw/zinc/84/66/64/716846664.db2.gz RDPPAVTXCSMJEU-FZNQNYSPSA-N -1 3 342.439 2.763 20 30 EFEDHM C=C1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccccc3[O-])C2)CC1 ZINC000979508129 717099325 /nfs/dbraw/zinc/09/93/25/717099325.db2.gz VTSZJFXQNNJISG-KOMQPUFPSA-N -1 3 342.439 2.763 20 30 EFEDHM N#Cc1cccc(CN2CCCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000980731179 717653628 /nfs/dbraw/zinc/65/36/28/717653628.db2.gz VMJVJUIYBBALRR-UHFFFAOYSA-N -1 3 335.407 2.612 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)C)n(C)n1 ZINC000177601215 718127655 /nfs/dbraw/zinc/12/76/55/718127655.db2.gz RMVGNQRBLSWYDT-GFCCVEGCSA-N -1 3 340.383 2.513 20 30 EFEDHM N#Cc1nc(N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)sc1Cl ZINC001059553948 724494600 /nfs/dbraw/zinc/49/46/00/724494600.db2.gz HIROMPMMCGUDMI-DTORHVGOSA-N -1 3 348.815 2.747 20 30 EFEDHM C#CCCc1noc([C@@H]([N-]S(=O)(=O)c2ccc(C)cc2)C(C)C)n1 ZINC000923883219 719287427 /nfs/dbraw/zinc/28/74/27/719287427.db2.gz QUFOOIXOVGNGQC-INIZCTEOSA-N -1 3 347.440 2.619 20 30 EFEDHM C=C1CCC(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC000982477257 720290746 /nfs/dbraw/zinc/29/07/46/720290746.db2.gz JTDVRAQRCOTBNE-OAHLLOKOSA-N -1 3 342.439 2.717 20 30 EFEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC[C@@H]1C1CCCC1 ZINC000330102333 720828519 /nfs/dbraw/zinc/82/85/19/720828519.db2.gz FTIWWZWVYPXCDF-SNVBAGLBSA-N -1 3 331.342 2.892 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnn(-c2ccccc2F)c1 ZINC000126252313 720949166 /nfs/dbraw/zinc/94/91/66/720949166.db2.gz BUXMNAHMIHENOB-HNNXBMFYSA-N -1 3 348.337 2.973 20 30 EFEDHM C#CCOc1ccc(/C=C2/c3ccccc3C(=O)[N-]C2=O)cc1OCC ZINC000015662093 721706040 /nfs/dbraw/zinc/70/60/40/721706040.db2.gz GCKHYQBPWQXIOP-ATVHPVEESA-N -1 3 347.370 2.908 20 30 EFEDHM COc1cccc2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)oc21 ZINC000126347954 721762541 /nfs/dbraw/zinc/76/25/41/721762541.db2.gz YFCIAMLUZLTAKR-GFCCVEGCSA-N -1 3 335.319 2.798 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000983074533 721787702 /nfs/dbraw/zinc/78/77/02/721787702.db2.gz DLSQYZAASBXYMP-CQSZACIVSA-N -1 3 330.428 2.573 20 30 EFEDHM COCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000917508051 728751770 /nfs/dbraw/zinc/75/17/70/728751770.db2.gz IQSPHSZOKUUIHP-CYBMUJFWSA-N -1 3 349.346 2.935 20 30 EFEDHM COCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000917508052 728751904 /nfs/dbraw/zinc/75/19/04/728751904.db2.gz IQSPHSZOKUUIHP-ZDUSSCGKSA-N -1 3 349.346 2.935 20 30 EFEDHM CCCOc1ccc(C=[NH+][N-]c2ncnc3[n-]cnc32)cc1OCC ZINC000917554998 728759444 /nfs/dbraw/zinc/75/94/44/728759444.db2.gz NMLVAPLLTSOUOG-UHFFFAOYSA-N -1 3 340.387 2.986 20 30 EFEDHM C=CC(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059195289 722884749 /nfs/dbraw/zinc/88/47/49/722884749.db2.gz ADLYOGURCDJSJQ-CQSZACIVSA-N -1 3 330.428 2.573 20 30 EFEDHM C=CCC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059195494 722886091 /nfs/dbraw/zinc/88/60/91/722886091.db2.gz DTPMRWZUBKCQHC-HNNXBMFYSA-N -1 3 344.455 2.963 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196444 722886861 /nfs/dbraw/zinc/88/68/61/722886861.db2.gz WCRZNVUQMTYOIE-FOIQADDNSA-N -1 3 344.455 2.963 20 30 EFEDHM CC(C)(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CCCN([O-])C1=O ZINC000895161352 723492449 /nfs/dbraw/zinc/49/24/49/723492449.db2.gz FUUPYIAFJBTTHT-MRXNPFEDSA-N -1 3 342.443 2.640 20 30 EFEDHM COc1cc(-c2ccccc2)ccc1CN[C@H]1CCCN([O-])C1=O ZINC000895163081 723497810 /nfs/dbraw/zinc/49/78/10/723497810.db2.gz QPPOIHUNBZXRFJ-KRWDZBQOSA-N -1 3 326.396 2.832 20 30 EFEDHM CSc1cc(Br)ccc1CN[C@@H]1CCCN([O-])C1=O ZINC000895164156 723502580 /nfs/dbraw/zinc/50/25/80/723502580.db2.gz DDDFKESOKBGGCU-LLVKDONJSA-N -1 3 345.262 2.641 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2ccnc(C(F)(F)F)c2)c1[O-] ZINC000840706868 723570932 /nfs/dbraw/zinc/57/09/32/723570932.db2.gz MFSOECRVZJNYHE-FBCYGCLPSA-N -1 3 325.290 2.621 20 30 EFEDHM COc1cc(F)cc(C[C@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000840708472 723849362 /nfs/dbraw/zinc/84/93/62/723849362.db2.gz BMDYDAMQIFZBDN-QQZXWGPFSA-N -1 3 332.375 2.786 20 30 EFEDHM CC(C)(C)OC(=O)Nc1ccsc1CN[C@@H]1CCCN([O-])C1=O ZINC000895197110 723863366 /nfs/dbraw/zinc/86/33/66/723863366.db2.gz PHKHRTRXWOESQM-LLVKDONJSA-N -1 3 341.433 2.565 20 30 EFEDHM O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])C[C@H]2CCCCN12 ZINC000840709978 723896781 /nfs/dbraw/zinc/89/67/81/723896781.db2.gz NFKYAUNVYQYIKB-SSTXIFODSA-N -1 3 337.217 2.727 20 30 EFEDHM Cc1ncc(CO)c(/C=N\CCOc2ccc(Cl)c(F)c2)c1[O-] ZINC000840710680 723947715 /nfs/dbraw/zinc/94/77/15/723947715.db2.gz UFDVWISROMUNQA-UWVJOHFNSA-N -1 3 338.766 2.878 20 30 EFEDHM COC(=O)[C@@H](C)c1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000840713874 724050720 /nfs/dbraw/zinc/05/07/20/724050720.db2.gz VVWMUTSOEIETNL-NSHDSACASA-N -1 3 328.368 2.615 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000984465749 724100290 /nfs/dbraw/zinc/10/02/90/724100290.db2.gz FIJQMMWJIOFBKD-AWEZNQCLSA-N -1 3 330.428 2.667 20 30 EFEDHM C[C@H]1C[C@@H](NCc2ccccc2C#N)CN1C(=O)c1ccccc1[O-] ZINC000988166182 726102375 /nfs/dbraw/zinc/10/23/75/726102375.db2.gz NVJJLIZGZHUCHL-WMLDXEAASA-N -1 3 335.407 2.657 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC000988177088 726106988 /nfs/dbraw/zinc/10/69/88/726106988.db2.gz DYWHUZZLPVLCMF-HNNXBMFYSA-N -1 3 344.455 2.915 20 30 EFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2cccs2)cc1 ZINC000130382611 726991110 /nfs/dbraw/zinc/99/11/10/726991110.db2.gz HEEHEUCPYBHCAG-CYBMUJFWSA-N -1 3 342.376 2.886 20 30 EFEDHM Cc1nn(-c2ccccc2)c(COC(=O)c2cncc([O-])c2)c1C#N ZINC000732392925 727064343 /nfs/dbraw/zinc/06/43/43/727064343.db2.gz KFTAMJJZEGAMHF-UHFFFAOYSA-N -1 3 334.335 2.510 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c([O-])cccc1OC ZINC000908146158 727102135 /nfs/dbraw/zinc/10/21/35/727102135.db2.gz BZBPIFJKOSIGEN-UHFFFAOYSA-N -1 3 331.368 2.705 20 30 EFEDHM C=CCC[C@@H](NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908754390 727257081 /nfs/dbraw/zinc/25/70/81/727257081.db2.gz UBYZUWCYVZYBAZ-IAGOWNOFSA-N -1 3 347.459 2.570 20 30 EFEDHM N#Cc1ccc(NC[C@H]2CCCCN2C(=O)c2ccccc2[O-])cn1 ZINC001060203813 727280414 /nfs/dbraw/zinc/28/04/14/727280414.db2.gz QEUNUNGVCLAITK-MRXNPFEDSA-N -1 3 336.395 2.766 20 30 EFEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccccc1Br ZINC000915959955 727642694 /nfs/dbraw/zinc/64/26/94/727642694.db2.gz LYXVCMLYPLLZHJ-UHFFFAOYSA-N -1 3 332.157 2.923 20 30 EFEDHM O=C1Nc2cc([O-])ccc2C1=NNCc1ccc(C(F)(F)F)cc1 ZINC000915972547 727644169 /nfs/dbraw/zinc/64/41/69/727644169.db2.gz PLXVVGOYANNYBH-UHFFFAOYSA-N -1 3 335.285 2.857 20 30 EFEDHM CC(C)CCNC(=S)NN=Cc1cc(Br)ccc1[O-] ZINC000916352656 727678809 /nfs/dbraw/zinc/67/88/09/727678809.db2.gz UAYJWWNMPFAIRF-UHFFFAOYSA-N -1 3 344.278 2.999 20 30 EFEDHM CC(C)(C#N)CS(=O)(=O)[N-]CC(=O)c1c(Cl)cccc1Cl ZINC000917130219 727774391 /nfs/dbraw/zinc/77/43/91/727774391.db2.gz KKRNSOIEMUMWDK-UHFFFAOYSA-N -1 3 349.239 2.645 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000913301798 727814559 /nfs/dbraw/zinc/81/45/59/727814559.db2.gz BJRUBEPPGMZNNK-GFCCVEGCSA-N -1 3 331.372 2.640 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000913301798 727814560 /nfs/dbraw/zinc/81/45/60/727814560.db2.gz BJRUBEPPGMZNNK-GFCCVEGCSA-N -1 3 331.372 2.640 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060330537 728285348 /nfs/dbraw/zinc/28/53/48/728285348.db2.gz FCUGBFJUEYGMHK-QRWLVFNGSA-N -1 3 344.455 2.963 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1sc(C)nc1C ZINC000129853063 728318388 /nfs/dbraw/zinc/31/83/88/728318388.db2.gz QYJZMNDQQWROAV-LLVKDONJSA-N -1 3 329.381 2.730 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(F)c(F)c1 ZINC000129870217 728354627 /nfs/dbraw/zinc/35/46/27/728354627.db2.gz DZZJWNZSKJPEHY-LLVKDONJSA-N -1 3 330.290 2.935 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@@H](CCNC(=O)c3ccccc3[O-])C2)C1 ZINC001060371474 728438787 /nfs/dbraw/zinc/43/87/87/728438787.db2.gz ZOIYOIRIEMQEAE-OAHLLOKOSA-N -1 3 342.439 2.717 20 30 EFEDHM C#CCOc1ccc(F)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000173789585 728635652 /nfs/dbraw/zinc/63/56/52/728635652.db2.gz BWVZVJSKJPIXSA-UHFFFAOYSA-N -1 3 336.322 2.932 20 30 EFEDHM COc1ccc(C)cc1C(C)=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920384191 729178018 /nfs/dbraw/zinc/17/80/18/729178018.db2.gz WDSIYVDJWOXJCC-UHFFFAOYSA-N -1 3 332.425 2.847 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000823909356 946511965 /nfs/dbraw/zinc/51/19/65/946511965.db2.gz AHMMQGPYJZDWMZ-CJNGLKHVSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000823909356 946511971 /nfs/dbraw/zinc/51/19/71/946511971.db2.gz AHMMQGPYJZDWMZ-CJNGLKHVSA-N -1 3 325.416 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C)c(O)c1 ZINC000823914635 946519085 /nfs/dbraw/zinc/51/90/85/946519085.db2.gz KFAXHXNRXYPJSI-UHFFFAOYSA-N -1 3 349.394 2.709 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C)c(O)c1 ZINC000823914635 946519096 /nfs/dbraw/zinc/51/90/96/946519096.db2.gz KFAXHXNRXYPJSI-UHFFFAOYSA-N -1 3 349.394 2.709 20 30 EFEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000823958081 946527134 /nfs/dbraw/zinc/52/71/34/946527134.db2.gz BETLBSUQMJQFKH-GFCCVEGCSA-N -1 3 340.309 2.852 20 30 EFEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000823958081 946527144 /nfs/dbraw/zinc/52/71/44/946527144.db2.gz BETLBSUQMJQFKH-GFCCVEGCSA-N -1 3 340.309 2.852 20 30 EFEDHM C#C[C@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)c1ccccc1 ZINC001573280731 946668095 /nfs/dbraw/zinc/66/80/95/946668095.db2.gz RIBFQZKHQYAPRA-INIZCTEOSA-N -1 3 331.379 2.588 20 30 EFEDHM C#C[C@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)c1ccccc1 ZINC001573280731 946668100 /nfs/dbraw/zinc/66/81/00/946668100.db2.gz RIBFQZKHQYAPRA-INIZCTEOSA-N -1 3 331.379 2.588 20 30 EFEDHM C#CC[C@@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nnn[n-]2)C1 ZINC001573284375 946744551 /nfs/dbraw/zinc/74/45/51/946744551.db2.gz AKEFGUXQZNZKCX-SECBINFHSA-N -1 3 339.296 2.874 20 30 EFEDHM C#CC[C@@H]1CCN(c2cc(C(F)(F)F)c(F)cc2-c2nn[n-]n2)C1 ZINC001573284375 946744557 /nfs/dbraw/zinc/74/45/57/946744557.db2.gz AKEFGUXQZNZKCX-SECBINFHSA-N -1 3 339.296 2.874 20 30 EFEDHM C#Cc1cccc(NC(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)c1 ZINC001573290679 946909550 /nfs/dbraw/zinc/90/95/50/946909550.db2.gz NQWVRTHUZFRQAU-UHFFFAOYSA-N -1 3 339.305 2.579 20 30 EFEDHM C#Cc1cccc(NC(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)c1 ZINC001573290679 946909555 /nfs/dbraw/zinc/90/95/55/946909555.db2.gz NQWVRTHUZFRQAU-UHFFFAOYSA-N -1 3 339.305 2.579 20 30 EFEDHM C=C[C@H](CC)CC(=O)N[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573316618 947278435 /nfs/dbraw/zinc/27/84/35/947278435.db2.gz XHBQIDXEWGLGOG-VXGBXAGGSA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@H](CC)CC(=O)N[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573316618 947278446 /nfs/dbraw/zinc/27/84/46/947278446.db2.gz XHBQIDXEWGLGOG-VXGBXAGGSA-N -1 3 346.410 2.525 20 30 EFEDHM C=CC[C@@H](C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573318566 947308356 /nfs/dbraw/zinc/30/83/56/947308356.db2.gz CTWMCCROUIQVCS-CQSZACIVSA-N -1 3 334.383 2.869 20 30 EFEDHM C=CC[C@@H](C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573318566 947308369 /nfs/dbraw/zinc/30/83/69/947308369.db2.gz CTWMCCROUIQVCS-CQSZACIVSA-N -1 3 334.383 2.869 20 30 EFEDHM C=CCC[C@@H](NCC(=O)NCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001602719133 971381838 /nfs/dbraw/zinc/38/18/38/971381838.db2.gz RSOYILRWYILTSJ-CYBMUJFWSA-N -1 3 344.333 2.503 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)ccc21 ZINC000826044940 947420164 /nfs/dbraw/zinc/42/01/64/947420164.db2.gz NFTVJDVPNOUVIT-CLTKARDFSA-N -1 3 349.369 2.894 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)c(F)c3)ccc21 ZINC000826044940 947420169 /nfs/dbraw/zinc/42/01/69/947420169.db2.gz NFTVJDVPNOUVIT-CLTKARDFSA-N -1 3 349.369 2.894 20 30 EFEDHM C=CCCCN(CC)c1ncc(Br)cc1-c1nnn[n-]1 ZINC001573335020 947469269 /nfs/dbraw/zinc/46/92/69/947469269.db2.gz KKEHACAKYMBEJD-UHFFFAOYSA-N -1 3 337.225 2.817 20 30 EFEDHM C=CCCCN(CC)c1ncc(Br)cc1-c1nn[n-]n1 ZINC001573335020 947469289 /nfs/dbraw/zinc/46/92/89/947469289.db2.gz KKEHACAKYMBEJD-UHFFFAOYSA-N -1 3 337.225 2.817 20 30 EFEDHM C=CCCCCCCNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC001573335786 947490734 /nfs/dbraw/zinc/49/07/34/947490734.db2.gz UUKBETOLPJJCCB-UHFFFAOYSA-N -1 3 349.460 2.590 20 30 EFEDHM C=CCCCCCCNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC001573335786 947490740 /nfs/dbraw/zinc/49/07/40/947490740.db2.gz UUKBETOLPJJCCB-UHFFFAOYSA-N -1 3 349.460 2.590 20 30 EFEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1)c1ccccc1 ZINC001573342502 947544197 /nfs/dbraw/zinc/54/41/97/947544197.db2.gz ZZLONKMANPMHMS-UHFFFAOYSA-N -1 3 335.367 2.708 20 30 EFEDHM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1)c1ccccc1 ZINC001573342502 947544207 /nfs/dbraw/zinc/54/42/07/947544207.db2.gz ZZLONKMANPMHMS-UHFFFAOYSA-N -1 3 335.367 2.708 20 30 EFEDHM C=CCOc1ccc(CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1 ZINC001573349116 947591141 /nfs/dbraw/zinc/59/11/41/947591141.db2.gz ZDGWARRGQGNGJY-UHFFFAOYSA-N -1 3 349.394 2.637 20 30 EFEDHM C=CCOc1ccc(CC(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1 ZINC001573349116 947591154 /nfs/dbraw/zinc/59/11/54/947591154.db2.gz ZDGWARRGQGNGJY-UHFFFAOYSA-N -1 3 349.394 2.637 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)CCO2 ZINC000826212483 947621361 /nfs/dbraw/zinc/62/13/61/947621361.db2.gz RXCSDTAWUKUJNY-RAXLEYEMSA-N -1 3 348.362 2.924 20 30 EFEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CCO2 ZINC000826212483 947621377 /nfs/dbraw/zinc/62/13/77/947621377.db2.gz RXCSDTAWUKUJNY-RAXLEYEMSA-N -1 3 348.362 2.924 20 30 EFEDHM CN(CCOCc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])s1 ZINC001593753609 954429291 /nfs/dbraw/zinc/42/92/91/954429291.db2.gz DLUCWGPDOUMSMU-UHFFFAOYSA-N -1 3 330.409 2.967 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCCN(Cc3cccc(C(=O)[O-])c3)C2)nc1 ZINC000903710268 956907277 /nfs/dbraw/zinc/90/72/77/956907277.db2.gz OEQPPVFQKZFKNC-QGZVFWFLSA-N -1 3 336.395 2.728 20 30 EFEDHM N#CCc1cccc2c1CCN(CCOc1ccccc1C(=O)[O-])C2 ZINC000863537136 969310687 /nfs/dbraw/zinc/31/06/87/969310687.db2.gz SSZJCYJPLNAUSZ-UHFFFAOYSA-N -1 3 336.391 2.888 20 30 EFEDHM CCCCCCC[C@@H](C)CNC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001595704625 982277849 /nfs/dbraw/zinc/27/78/49/982277849.db2.gz DWHZAUOQOIHGSR-CVEARBPZSA-N -1 3 341.496 2.641 20 30 EFEDHM CC[C@@H](C)N[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccco1 ZINC001594994511 982877310 /nfs/dbraw/zinc/87/73/10/982877310.db2.gz NGBSRVSWDSVUCV-IAQYHMDHSA-N -1 3 328.372 2.786 20 30 EFEDHM C#CC[C@H](NCc1cc(Br)ccc1OCCC)C(=O)[O-] ZINC001588422954 983449755 /nfs/dbraw/zinc/44/97/55/983449755.db2.gz RZRYMGZKKIPUIZ-ZDUSSCGKSA-N -1 3 340.217 2.804 20 30 EFEDHM C#CC[C@@H](NCc1cc2c(C)nn(C(C)(C)C)c2nc1Cl)C(=O)[O-] ZINC001588423081 983450479 /nfs/dbraw/zinc/45/04/79/983450479.db2.gz WALMFTSLHBACKD-CYBMUJFWSA-N -1 3 348.834 2.714 20 30 EFEDHM C#CCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC001588457927 983482993 /nfs/dbraw/zinc/48/29/93/983482993.db2.gz JVONUUKALYATNZ-SFHVURJKSA-N -1 3 325.364 2.710 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)N(C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001588607305 983700560 /nfs/dbraw/zinc/70/05/60/983700560.db2.gz YRLNGIYMMLFRRD-GOSISDBHSA-N -1 3 344.455 2.919 20 30 EFEDHM C=C(CCC(=O)[O-])C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC001588621225 983718844 /nfs/dbraw/zinc/71/88/44/983718844.db2.gz BFXFEMSQJGOZFY-KRWDZBQOSA-N -1 3 332.444 2.680 20 30 EFEDHM C=C[C@H](N[C@H]1CSCc2ccc(Br)cc21)C(=O)[O-] ZINC001588696600 983903713 /nfs/dbraw/zinc/90/37/13/983903713.db2.gz PONDMJOXHGDYJG-RYUDHWBXSA-N -1 3 328.231 2.966 20 30 EFEDHM C=C[C@H](NCc1ccc(Oc2c(OC)cccc2OC)nc1)C(=O)[O-] ZINC001588700533 983911251 /nfs/dbraw/zinc/91/12/51/983911251.db2.gz JDWOEWIDMJTVMA-ZDUSSCGKSA-N -1 3 344.367 2.620 20 30 EFEDHM CC(=O)[C@](C#N)(CCN1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccccc1 ZINC001589021789 985013914 /nfs/dbraw/zinc/01/39/14/985013914.db2.gz VWAPUJRARLNZCM-IDHHARJASA-N -1 3 328.412 2.612 20 30 EFEDHM C[C@H](C#N)Oc1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC001589335358 986208730 /nfs/dbraw/zinc/20/87/30/986208730.db2.gz PBTUMUIOWPEQEP-PXAZEXFGSA-N -1 3 326.352 2.599 20 30 EFEDHM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](N)CCCC#N)cc1 ZINC001590481603 990074173 /nfs/dbraw/zinc/07/41/73/990074173.db2.gz JLIKTXDWCWVDAS-JKSUJKDBSA-N -1 3 345.443 2.637 20 30 EFEDHM COc1ccc(C(C)(C)CN2CCC(C#N)(C(=O)[O-])CC2)cc1OC ZINC001599504428 997187257 /nfs/dbraw/zinc/18/72/57/997187257.db2.gz LUUFQOIORPHMIK-UHFFFAOYSA-N -1 3 346.427 2.672 20 30 EFEDHM C[C@@H]1CC(Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)C[C@@H](C)C1 ZINC001575969870 1088817184 /nfs/dbraw/zinc/81/71/84/1088817184.db2.gz MFKNAZWRUHZBNS-IUCAKERBSA-N -1 3 329.433 2.632 20 30 EFEDHM C[C@@H]1CC(Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)C[C@@H](C)C1 ZINC001575969870 1088817205 /nfs/dbraw/zinc/81/72/05/1088817205.db2.gz MFKNAZWRUHZBNS-IUCAKERBSA-N -1 3 329.433 2.632 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2ccc(C#N)s2)c1-c1nnn[n-]1 ZINC001578492983 1090385275 /nfs/dbraw/zinc/38/52/75/1090385275.db2.gz XRGUKICFKHHAGO-UHFFFAOYSA-N -1 3 344.425 2.985 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2ccc(C#N)s2)c1-c1nn[n-]n1 ZINC001578492983 1090385279 /nfs/dbraw/zinc/38/52/79/1090385279.db2.gz XRGUKICFKHHAGO-UHFFFAOYSA-N -1 3 344.425 2.985 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2ccsc2C#N)c1-c1nnn[n-]1 ZINC001578493005 1090385572 /nfs/dbraw/zinc/38/55/72/1090385572.db2.gz YUXGRKBJRQKIAV-UHFFFAOYSA-N -1 3 344.425 2.985 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2ccsc2C#N)c1-c1nn[n-]n1 ZINC001578493005 1090385578 /nfs/dbraw/zinc/38/55/78/1090385578.db2.gz YUXGRKBJRQKIAV-UHFFFAOYSA-N -1 3 344.425 2.985 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC001579882554 1090712796 /nfs/dbraw/zinc/71/27/96/1090712796.db2.gz KQQIAVSYDIRLQT-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC001579882554 1090712803 /nfs/dbraw/zinc/71/28/03/1090712803.db2.gz KQQIAVSYDIRLQT-LLVKDONJSA-N -1 3 349.350 2.665 20 30 EFEDHM CSc1ccc(CNc2ccc(C#N)c(C)n2)cc1-c1nnn[n-]1 ZINC001580235227 1090822574 /nfs/dbraw/zinc/82/25/74/1090822574.db2.gz MJPUGDDGGRHTLY-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM CSc1ccc(CNc2ccc(C#N)c(C)n2)cc1-c1nn[n-]n1 ZINC001580235227 1090822579 /nfs/dbraw/zinc/82/25/79/1090822579.db2.gz MJPUGDDGGRHTLY-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001580527023 1090933812 /nfs/dbraw/zinc/93/38/12/1090933812.db2.gz DMOXSTDLCJMVGK-LBPRGKRZSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1c(C#N)cccc1NC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001580527023 1090933819 /nfs/dbraw/zinc/93/38/19/1090933819.db2.gz DMOXSTDLCJMVGK-LBPRGKRZSA-N -1 3 346.394 2.864 20 30 EFEDHM Cc1c(C#N)c(NC(=O)c2cscc2-c2nnn[n-]2)n2ccccc12 ZINC001580526400 1090934140 /nfs/dbraw/zinc/93/41/40/1090934140.db2.gz WWPDVUCLKZXITG-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1c(C#N)c(NC(=O)c2cscc2-c2nn[n-]n2)n2ccccc12 ZINC001580526400 1090934144 /nfs/dbraw/zinc/93/41/44/1090934144.db2.gz WWPDVUCLKZXITG-UHFFFAOYSA-N -1 3 349.379 2.613 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001580768699 1091002348 /nfs/dbraw/zinc/00/23/48/1091002348.db2.gz IERZIPNBLFRFTK-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001580768699 1091002353 /nfs/dbraw/zinc/00/23/53/1091002353.db2.gz IERZIPNBLFRFTK-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001580768959 1091002753 /nfs/dbraw/zinc/00/27/53/1091002753.db2.gz UBLYXVOQKKAAMQ-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001580768959 1091002759 /nfs/dbraw/zinc/00/27/59/1091002759.db2.gz UBLYXVOQKKAAMQ-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc(C)c1-c1nnn[n-]1 ZINC001580821628 1091021184 /nfs/dbraw/zinc/02/11/84/1091021184.db2.gz DNRUBJRSWVAVDV-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C(=O)N[C@@H](C)c2ccc(C#N)cc2)cc(C)c1-c1nn[n-]n1 ZINC001580821628 1091021187 /nfs/dbraw/zinc/02/11/87/1091021187.db2.gz DNRUBJRSWVAVDV-ZDUSSCGKSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1sccc1CC#N ZINC001580933501 1091046704 /nfs/dbraw/zinc/04/67/04/1091046704.db2.gz RCJSEJQPWIRVBD-UHFFFAOYSA-N -1 3 342.359 2.694 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1sccc1CC#N ZINC001580933501 1091046710 /nfs/dbraw/zinc/04/67/10/1091046710.db2.gz RCJSEJQPWIRVBD-UHFFFAOYSA-N -1 3 342.359 2.694 20 30 EFEDHM Cc1cc(NC(=O)Nc2ccc(CCC#N)cc2)ncc1-c1nnn[n-]1 ZINC001580984384 1091055868 /nfs/dbraw/zinc/05/58/68/1091055868.db2.gz ZMINXPLQKQFVBJ-UHFFFAOYSA-N -1 3 348.370 2.670 20 30 EFEDHM Cc1cc(NC(=O)Nc2ccc(CCC#N)cc2)ncc1-c1nn[n-]n1 ZINC001580984384 1091055875 /nfs/dbraw/zinc/05/58/75/1091055875.db2.gz ZMINXPLQKQFVBJ-UHFFFAOYSA-N -1 3 348.370 2.670 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC001581135918 1091080741 /nfs/dbraw/zinc/08/07/41/1091080741.db2.gz VDSGCHICMQLGBR-LBPRGKRZSA-N -1 3 348.366 2.718 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC001581135918 1091080748 /nfs/dbraw/zinc/08/07/48/1091080748.db2.gz VDSGCHICMQLGBR-LBPRGKRZSA-N -1 3 348.366 2.718 20 30 EFEDHM N#CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001581859698 1091322216 /nfs/dbraw/zinc/32/22/16/1091322216.db2.gz QQVSBGOLFHYYBG-DLBZAZTESA-N -1 3 344.378 2.675 20 30 EFEDHM N#CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001581859698 1091322223 /nfs/dbraw/zinc/32/22/23/1091322223.db2.gz QQVSBGOLFHYYBG-DLBZAZTESA-N -1 3 344.378 2.675 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(C2CC2)c1 ZINC001581872475 1091326356 /nfs/dbraw/zinc/32/63/56/1091326356.db2.gz CNBFWLQSXRUPEZ-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(C2CC2)c1 ZINC001581872475 1091326364 /nfs/dbraw/zinc/32/63/64/1091326364.db2.gz CNBFWLQSXRUPEZ-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cc(NC(=O)c2cscc2-c2nnn[n-]2)ccc1C1CC1 ZINC001581870426 1091326974 /nfs/dbraw/zinc/32/69/74/1091326974.db2.gz ARDXASKDNDVHLE-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1cc(NC(=O)c2cscc2-c2nn[n-]n2)ccc1C1CC1 ZINC001581870426 1091326982 /nfs/dbraw/zinc/32/69/82/1091326982.db2.gz ARDXASKDNDVHLE-UHFFFAOYSA-N -1 3 336.380 2.930 20 30 EFEDHM N#Cc1ccc(C(=O)N(c2ccccc2-c2nnn[n-]2)C2CCC2)cc1 ZINC001581870944 1091327174 /nfs/dbraw/zinc/32/71/74/1091327174.db2.gz ZTXOFSVSMUMNRK-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1ccc(C(=O)N(c2ccccc2-c2nn[n-]n2)C2CCC2)cc1 ZINC001581870944 1091327188 /nfs/dbraw/zinc/32/71/88/1091327188.db2.gz ZTXOFSVSMUMNRK-UHFFFAOYSA-N -1 3 344.378 2.938 20 30 EFEDHM N#Cc1cc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC001581870908 1091327308 /nfs/dbraw/zinc/32/73/08/1091327308.db2.gz XWCRTFNYHVPUTQ-UHFFFAOYSA-N -1 3 344.237 2.717 20 30 EFEDHM N#Cc1cc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC001581870908 1091327320 /nfs/dbraw/zinc/32/73/20/1091327320.db2.gz XWCRTFNYHVPUTQ-UHFFFAOYSA-N -1 3 344.237 2.717 20 30 EFEDHM N#Cc1cccc(SCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001581875795 1091329949 /nfs/dbraw/zinc/32/99/49/1091329949.db2.gz QELRJORTIAZZOF-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1cccc(SCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001581875795 1091329961 /nfs/dbraw/zinc/32/99/61/1091329961.db2.gz QELRJORTIAZZOF-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001581878539 1091331275 /nfs/dbraw/zinc/33/12/75/1091331275.db2.gz PVBFWJIPWKBPCK-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001581878539 1091331288 /nfs/dbraw/zinc/33/12/88/1091331288.db2.gz PVBFWJIPWKBPCK-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCC#N)cc3)ccc2O1 ZINC001649698583 1092595737 /nfs/dbraw/zinc/59/57/37/1092595737.db2.gz ZYUKPOMIZVZBNI-LBPRGKRZSA-N -1 3 344.392 2.713 20 30 EFEDHM Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)n1 ZINC001649764727 1092660152 /nfs/dbraw/zinc/66/01/52/1092660152.db2.gz FJLBMAUJVWADHZ-INIZCTEOSA-N -1 3 336.395 2.684 20 30 EFEDHM COc1cc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)c(F)cc1C#N ZINC001649998440 1092864893 /nfs/dbraw/zinc/86/48/93/1092864893.db2.gz IJOQRUCXGHHQIP-LBPRGKRZSA-N -1 3 331.303 2.798 20 30 EFEDHM C=CC(C)(C)C(=O)NCC1(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC001104419855 1092912754 /nfs/dbraw/zinc/91/27/54/1092912754.db2.gz HMKDIISFQQFGTK-UHFFFAOYSA-N -1 3 348.403 2.749 20 30 EFEDHM C#C[C@@](C)(CC)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588325043 1092924100 /nfs/dbraw/zinc/92/41/00/1092924100.db2.gz DQTKVPRWBUFYRB-KRWDZBQOSA-N -1 3 339.424 2.922 20 30 EFEDHM C#C[C@@](C)(CC)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588325043 1092924113 /nfs/dbraw/zinc/92/41/13/1092924113.db2.gz DQTKVPRWBUFYRB-KRWDZBQOSA-N -1 3 339.424 2.922 20 30 EFEDHM C#C[C@@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC001588326420 1092924810 /nfs/dbraw/zinc/92/48/10/1092924810.db2.gz LMNKNKQFLOSMCZ-GFCCVEGCSA-N -1 3 349.419 2.769 20 30 EFEDHM C#C[C@@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC001588326420 1092924820 /nfs/dbraw/zinc/92/48/20/1092924820.db2.gz LMNKNKQFLOSMCZ-GFCCVEGCSA-N -1 3 349.419 2.769 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588329270 1092925518 /nfs/dbraw/zinc/92/55/18/1092925518.db2.gz BYWDWQWUZWXWBS-OAHLLOKOSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588329270 1092925526 /nfs/dbraw/zinc/92/55/26/1092925526.db2.gz BYWDWQWUZWXWBS-OAHLLOKOSA-N -1 3 336.330 2.502 20 30 EFEDHM C#C[C@@H](Nc1nnc(CC)c(CC)c1-c1nnn[n-]1)c1ccccc1 ZINC001588328811 1092925618 /nfs/dbraw/zinc/92/56/18/1092925618.db2.gz RDAACZWDGJRNHC-CQSZACIVSA-N -1 3 333.399 2.568 20 30 EFEDHM C#C[C@@H](Nc1nnc(CC)c(CC)c1-c1nn[n-]n1)c1ccccc1 ZINC001588328811 1092925623 /nfs/dbraw/zinc/92/56/23/1092925623.db2.gz RDAACZWDGJRNHC-CQSZACIVSA-N -1 3 333.399 2.568 20 30 EFEDHM C#CC[C@H](CCOC)Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588330791 1092926194 /nfs/dbraw/zinc/92/61/94/1092926194.db2.gz FBSFECHSRDUSAD-SNVBAGLBSA-N -1 3 339.321 2.726 20 30 EFEDHM C#CC[C@H](CCOC)Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588330791 1092926207 /nfs/dbraw/zinc/92/62/07/1092926207.db2.gz FBSFECHSRDUSAD-SNVBAGLBSA-N -1 3 339.321 2.726 20 30 EFEDHM C#C[C@H](CC)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001588327851 1092926645 /nfs/dbraw/zinc/92/66/45/1092926645.db2.gz SEIFSZZKUYORDU-CQSZACIVSA-N -1 3 349.350 2.623 20 30 EFEDHM C#C[C@H](CC)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001588327851 1092926655 /nfs/dbraw/zinc/92/66/55/1092926655.db2.gz SEIFSZZKUYORDU-CQSZACIVSA-N -1 3 349.350 2.623 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1sccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC001588329285 1092926778 /nfs/dbraw/zinc/92/67/78/1092926778.db2.gz CCXPRADXISZPOA-GFCCVEGCSA-N -1 3 342.359 2.563 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1sccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC001588329285 1092926792 /nfs/dbraw/zinc/92/67/92/1092926792.db2.gz CCXPRADXISZPOA-GFCCVEGCSA-N -1 3 342.359 2.563 20 30 EFEDHM C#CCCC[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588341307 1092928019 /nfs/dbraw/zinc/92/80/19/1092928019.db2.gz DHLJMZSVGGBBIH-ZDUSSCGKSA-N -1 3 342.399 2.759 20 30 EFEDHM C#CCCC[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588341307 1092928023 /nfs/dbraw/zinc/92/80/23/1092928023.db2.gz DHLJMZSVGGBBIH-ZDUSSCGKSA-N -1 3 342.399 2.759 20 30 EFEDHM C#CCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001588340845 1092929115 /nfs/dbraw/zinc/92/91/15/1092929115.db2.gz IMBPPMFAFFOTTH-UHFFFAOYSA-N -1 3 329.429 2.894 20 30 EFEDHM C#CCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001588340845 1092929126 /nfs/dbraw/zinc/92/91/26/1092929126.db2.gz IMBPPMFAFFOTTH-UHFFFAOYSA-N -1 3 329.429 2.894 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001588334147 1092929341 /nfs/dbraw/zinc/92/93/41/1092929341.db2.gz PJGUSGXISHSGNO-INIZCTEOSA-N -1 3 344.422 2.797 20 30 EFEDHM C#CC[C@@H](Cc1ccccc1)Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001588334147 1092929349 /nfs/dbraw/zinc/92/93/49/1092929349.db2.gz PJGUSGXISHSGNO-INIZCTEOSA-N -1 3 344.422 2.797 20 30 EFEDHM C#CCC1(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CCCCC1 ZINC001588335047 1092930098 /nfs/dbraw/zinc/93/00/98/1092930098.db2.gz VWIGQIMONLQTIE-UHFFFAOYSA-N -1 3 335.411 2.730 20 30 EFEDHM C#CCC1(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CCCCC1 ZINC001588335047 1092930106 /nfs/dbraw/zinc/93/01/06/1092930106.db2.gz VWIGQIMONLQTIE-UHFFFAOYSA-N -1 3 335.411 2.730 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588352310 1092931057 /nfs/dbraw/zinc/93/10/57/1092931057.db2.gz YGZWUBMQQYWJLU-UHFFFAOYSA-N -1 3 346.394 2.842 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588352310 1092931062 /nfs/dbraw/zinc/93/10/62/1092931062.db2.gz YGZWUBMQQYWJLU-UHFFFAOYSA-N -1 3 346.394 2.842 20 30 EFEDHM C#CCCCCCC(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc21 ZINC001588344775 1092931240 /nfs/dbraw/zinc/93/12/40/1092931240.db2.gz DQBYTIDMWFHTCR-UHFFFAOYSA-N -1 3 337.387 2.574 20 30 EFEDHM C#CCCCCCC(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc21 ZINC001588344775 1092931245 /nfs/dbraw/zinc/93/12/45/1092931245.db2.gz DQBYTIDMWFHTCR-UHFFFAOYSA-N -1 3 337.387 2.574 20 30 EFEDHM C#CCSCCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001588363934 1092931334 /nfs/dbraw/zinc/93/13/34/1092931334.db2.gz JVQMUYMVMIPQKF-UHFFFAOYSA-N -1 3 327.335 2.664 20 30 EFEDHM C#CCSCCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001588363934 1092931343 /nfs/dbraw/zinc/93/13/43/1092931343.db2.gz JVQMUYMVMIPQKF-UHFFFAOYSA-N -1 3 327.335 2.664 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001588352312 1092932877 /nfs/dbraw/zinc/93/28/77/1092932877.db2.gz YIQPCZQKBWLBKP-UHFFFAOYSA-N -1 3 348.435 2.699 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001588352312 1092932884 /nfs/dbraw/zinc/93/28/84/1092932884.db2.gz YIQPCZQKBWLBKP-UHFFFAOYSA-N -1 3 348.435 2.699 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588375061 1092934346 /nfs/dbraw/zinc/93/43/46/1092934346.db2.gz COISLARSQKSXKK-LBPRGKRZSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588375061 1092934356 /nfs/dbraw/zinc/93/43/56/1092934356.db2.gz COISLARSQKSXKK-LBPRGKRZSA-N -1 3 332.367 2.731 20 30 EFEDHM C#Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001588374795 1092934515 /nfs/dbraw/zinc/93/45/15/1092934515.db2.gz OGMKCPOGEAKESS-UHFFFAOYSA-N -1 3 337.770 2.683 20 30 EFEDHM C#Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001588374795 1092934522 /nfs/dbraw/zinc/93/45/22/1092934522.db2.gz OGMKCPOGEAKESS-UHFFFAOYSA-N -1 3 337.770 2.683 20 30 EFEDHM C#Cc1ccc(NC(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)cc1 ZINC001588374872 1092934565 /nfs/dbraw/zinc/93/45/65/1092934565.db2.gz UJMYBUXDYZRTRU-UHFFFAOYSA-N -1 3 331.379 2.646 20 30 EFEDHM C#Cc1ccc(NC(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC001588374872 1092934570 /nfs/dbraw/zinc/93/45/70/1092934570.db2.gz UJMYBUXDYZRTRU-UHFFFAOYSA-N -1 3 331.379 2.646 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001588374697 1092934897 /nfs/dbraw/zinc/93/48/97/1092934897.db2.gz JLAKZTYIOAXACP-UHFFFAOYSA-N -1 3 336.330 2.655 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001588374697 1092934907 /nfs/dbraw/zinc/93/49/07/1092934907.db2.gz JLAKZTYIOAXACP-UHFFFAOYSA-N -1 3 336.330 2.655 20 30 EFEDHM c1ccc2[nH]c(N=NCCCc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC001588384297 1092937164 /nfs/dbraw/zinc/93/71/64/1092937164.db2.gz DKDOKYKVCIBGHD-UHFFFAOYSA-N -1 3 332.371 2.774 20 30 EFEDHM c1ccc2[nH]c(N=NCCCc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC001588384297 1092937171 /nfs/dbraw/zinc/93/71/71/1092937171.db2.gz DKDOKYKVCIBGHD-UHFFFAOYSA-N -1 3 332.371 2.774 20 30 EFEDHM C(=NNC1CCCC1)c1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001588381694 1092938385 /nfs/dbraw/zinc/93/83/85/1092938385.db2.gz PLPPNMCAGHKDMJ-UHFFFAOYSA-N -1 3 335.415 2.583 20 30 EFEDHM C(=NNC1CCCC1)c1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001588381694 1092938396 /nfs/dbraw/zinc/93/83/96/1092938396.db2.gz PLPPNMCAGHKDMJ-UHFFFAOYSA-N -1 3 335.415 2.583 20 30 EFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]nc1-c1ccsc1 ZINC001588381466 1092938803 /nfs/dbraw/zinc/93/88/03/1092938803.db2.gz DBYQATBTBPTQFT-UHFFFAOYSA-N -1 3 336.384 2.764 20 30 EFEDHM c1ccc(-c2nnc(N=NCc3ccccc3-c3nnn[n-]3)s2)cc1 ZINC001588384284 1092938957 /nfs/dbraw/zinc/93/89/57/1092938957.db2.gz CNAOJFBPYAJEAN-UHFFFAOYSA-N -1 3 348.395 2.831 20 30 EFEDHM c1ccc(-c2nnc(N=NCc3ccccc3-c3nn[n-]n3)s2)cc1 ZINC001588384284 1092938966 /nfs/dbraw/zinc/93/89/66/1092938966.db2.gz CNAOJFBPYAJEAN-UHFFFAOYSA-N -1 3 348.395 2.831 20 30 EFEDHM C=C(C)[C@@H](CC(=O)OCc1ccc(C)c(-c2nnn[n-]2)c1)OCC ZINC001588401152 1092941067 /nfs/dbraw/zinc/94/10/67/1092941067.db2.gz MIQHCDRPOUTOID-OAHLLOKOSA-N -1 3 330.388 2.590 20 30 EFEDHM C=C(C)[C@@H](CC(=O)OCc1ccc(C)c(-c2nn[n-]n2)c1)OCC ZINC001588401152 1092941077 /nfs/dbraw/zinc/94/10/77/1092941077.db2.gz MIQHCDRPOUTOID-OAHLLOKOSA-N -1 3 330.388 2.590 20 30 EFEDHM C=C(C)C(C)(C)C(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001588396968 1092941296 /nfs/dbraw/zinc/94/12/96/1092941296.db2.gz SFTBGXSBKZNRLC-UHFFFAOYSA-N -1 3 331.445 2.807 20 30 EFEDHM C=C(C)C(C)(C)C(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001588396968 1092941306 /nfs/dbraw/zinc/94/13/06/1092941306.db2.gz SFTBGXSBKZNRLC-UHFFFAOYSA-N -1 3 331.445 2.807 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588401638 1092942180 /nfs/dbraw/zinc/94/21/80/1092942180.db2.gz WDTGQBKZPFDJIC-ZDUSSCGKSA-N -1 3 325.416 2.960 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588401638 1092942188 /nfs/dbraw/zinc/94/21/88/1092942188.db2.gz WDTGQBKZPFDJIC-ZDUSSCGKSA-N -1 3 325.416 2.960 20 30 EFEDHM C=C(C)C[C@@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001588403989 1092942369 /nfs/dbraw/zinc/94/23/69/1092942369.db2.gz BDQISYVYEBMTSQ-JTQLQIEISA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)C[C@@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001588403989 1092942377 /nfs/dbraw/zinc/94/23/77/1092942377.db2.gz BDQISYVYEBMTSQ-JTQLQIEISA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)CCC(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588410129 1092942420 /nfs/dbraw/zinc/94/24/20/1092942420.db2.gz MFKATVMUDJTNCJ-LBPRGKRZSA-N -1 3 346.410 2.621 20 30 EFEDHM C=C(C)CCC(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588410129 1092942431 /nfs/dbraw/zinc/94/24/31/1092942431.db2.gz MFKATVMUDJTNCJ-LBPRGKRZSA-N -1 3 346.410 2.621 20 30 EFEDHM C=C(C)CNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC001588429440 1092945760 /nfs/dbraw/zinc/94/57/60/1092945760.db2.gz BCJRQNBJGGMFRR-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM C=C(C)CNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC001588429440 1092945768 /nfs/dbraw/zinc/94/57/68/1092945768.db2.gz BCJRQNBJGGMFRR-UHFFFAOYSA-N -1 3 349.394 2.752 20 30 EFEDHM C=C(CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588444041 1092946707 /nfs/dbraw/zinc/94/67/07/1092946707.db2.gz HIWBOLWXTNRZTB-CQSZACIVSA-N -1 3 348.410 2.940 20 30 EFEDHM C=C(CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588444041 1092946709 /nfs/dbraw/zinc/94/67/09/1092946709.db2.gz HIWBOLWXTNRZTB-CQSZACIVSA-N -1 3 348.410 2.940 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588455594 1092947117 /nfs/dbraw/zinc/94/71/17/1092947117.db2.gz ANPOJODJGKGVAK-TXEJJXNPSA-N -1 3 329.791 2.843 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588455594 1092947132 /nfs/dbraw/zinc/94/71/32/1092947132.db2.gz ANPOJODJGKGVAK-TXEJJXNPSA-N -1 3 329.791 2.843 20 30 EFEDHM C=C(CNC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1)c1ccccc1 ZINC001588444197 1092947242 /nfs/dbraw/zinc/94/72/42/1092947242.db2.gz QFBGXUYDMIECKQ-UHFFFAOYSA-N -1 3 346.394 2.605 20 30 EFEDHM C=C(CNC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1)c1ccccc1 ZINC001588444197 1092947250 /nfs/dbraw/zinc/94/72/50/1092947250.db2.gz QFBGXUYDMIECKQ-UHFFFAOYSA-N -1 3 346.394 2.605 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588443603 1092947830 /nfs/dbraw/zinc/94/78/30/1092947830.db2.gz VYOLIIQBJBBIRC-HOCLYGCPSA-N -1 3 342.399 2.508 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588443603 1092947835 /nfs/dbraw/zinc/94/78/35/1092947835.db2.gz VYOLIIQBJBBIRC-HOCLYGCPSA-N -1 3 342.399 2.508 20 30 EFEDHM C=C(CC)CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588442957 1092948373 /nfs/dbraw/zinc/94/83/73/1092948373.db2.gz UABJCOAHMDWZEF-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=C(CC)CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588442957 1092948385 /nfs/dbraw/zinc/94/83/85/1092948385.db2.gz UABJCOAHMDWZEF-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588486721 1092949150 /nfs/dbraw/zinc/94/91/50/1092949150.db2.gz JMEKQBAYDXOFOS-UHFFFAOYSA-N -1 3 329.404 2.598 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588486721 1092949161 /nfs/dbraw/zinc/94/91/61/1092949161.db2.gz JMEKQBAYDXOFOS-UHFFFAOYSA-N -1 3 329.404 2.598 20 30 EFEDHM C=C1CCC(C(=O)Nc2cc(OC)c(-c3nnn[n-]3)cc2F)CC1 ZINC001588462445 1092949772 /nfs/dbraw/zinc/94/97/72/1092949772.db2.gz NXKOMXGJRVXCHA-UHFFFAOYSA-N -1 3 331.351 2.699 20 30 EFEDHM C=C1CCC(C(=O)Nc2cc(OC)c(-c3nn[n-]n3)cc2F)CC1 ZINC001588462445 1092949783 /nfs/dbraw/zinc/94/97/83/1092949783.db2.gz NXKOMXGJRVXCHA-UHFFFAOYSA-N -1 3 331.351 2.699 20 30 EFEDHM C=C1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC001588463051 1092949810 /nfs/dbraw/zinc/94/98/10/1092949810.db2.gz YATKQXGILPKNEP-UHFFFAOYSA-N -1 3 333.351 2.671 20 30 EFEDHM C=C1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001588463051 1092949816 /nfs/dbraw/zinc/94/98/16/1092949816.db2.gz YATKQXGILPKNEP-UHFFFAOYSA-N -1 3 333.351 2.671 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588487472 1092950544 /nfs/dbraw/zinc/95/05/44/1092950544.db2.gz RUKSIZKBXNWURD-UHFFFAOYSA-N -1 3 329.408 2.684 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588487472 1092950548 /nfs/dbraw/zinc/95/05/48/1092950548.db2.gz RUKSIZKBXNWURD-UHFFFAOYSA-N -1 3 329.408 2.684 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588493085 1092951516 /nfs/dbraw/zinc/95/15/16/1092951516.db2.gz AGXHTBZILYIUAS-APPDUMDISA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588493085 1092951525 /nfs/dbraw/zinc/95/15/25/1092951525.db2.gz AGXHTBZILYIUAS-APPDUMDISA-N -1 3 346.410 2.525 20 30 EFEDHM C=C[C@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588515606 1092951866 /nfs/dbraw/zinc/95/18/66/1092951866.db2.gz FSOVJIZBMLCMLW-JTQLQIEISA-N -1 3 330.392 2.740 20 30 EFEDHM C=C[C@H](C)NC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588515606 1092951874 /nfs/dbraw/zinc/95/18/74/1092951874.db2.gz FSOVJIZBMLCMLW-JTQLQIEISA-N -1 3 330.392 2.740 20 30 EFEDHM C=CC(C)(C)CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588488039 1092951898 /nfs/dbraw/zinc/95/18/98/1092951898.db2.gz WQKCNGJLUNTYNG-UHFFFAOYSA-N -1 3 345.472 2.818 20 30 EFEDHM C=CC(C)(C)CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588488039 1092951904 /nfs/dbraw/zinc/95/19/04/1092951904.db2.gz WQKCNGJLUNTYNG-UHFFFAOYSA-N -1 3 345.472 2.818 20 30 EFEDHM C=C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC001588525846 1092952804 /nfs/dbraw/zinc/95/28/04/1092952804.db2.gz LLQKOFPDUZFHET-OAHLLOKOSA-N -1 3 336.351 2.959 20 30 EFEDHM C=C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC001588525846 1092952811 /nfs/dbraw/zinc/95/28/11/1092952811.db2.gz LLQKOFPDUZFHET-OAHLLOKOSA-N -1 3 336.351 2.959 20 30 EFEDHM C=C[C@@](C)(CC)COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588495634 1092952886 /nfs/dbraw/zinc/95/28/86/1092952886.db2.gz HEJUYKSSYXAYBR-PXAZEXFGSA-N -1 3 330.388 2.780 20 30 EFEDHM C=CC1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001588527573 1092955765 /nfs/dbraw/zinc/95/57/65/1092955765.db2.gz PBDRHGWECOYPJB-UHFFFAOYSA-N -1 3 346.822 2.628 20 30 EFEDHM C=CC1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001588527573 1092955771 /nfs/dbraw/zinc/95/57/71/1092955771.db2.gz PBDRHGWECOYPJB-UHFFFAOYSA-N -1 3 346.822 2.628 20 30 EFEDHM C=CC[C@H](C(=O)Nc1cc(-c2nnn[n-]2)cc(C)n1)c1ccccc1 ZINC001588532361 1092956098 /nfs/dbraw/zinc/95/60/98/1092956098.db2.gz SYOLMISRSDSRGW-HNNXBMFYSA-N -1 3 334.383 2.869 20 30 EFEDHM C=CC[C@H](C(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1)c1ccccc1 ZINC001588532361 1092956105 /nfs/dbraw/zinc/95/61/05/1092956105.db2.gz SYOLMISRSDSRGW-HNNXBMFYSA-N -1 3 334.383 2.869 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001588546091 1092957571 /nfs/dbraw/zinc/95/75/71/1092957571.db2.gz XCTJFIBORJOPCC-UHFFFAOYSA-N -1 3 334.330 2.591 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC001588545266 1092957931 /nfs/dbraw/zinc/95/79/31/1092957931.db2.gz CXOMJGGUBSWPDP-UHFFFAOYSA-N -1 3 325.344 2.567 20 30 EFEDHM C=CCC(F)(F)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC001588545266 1092957945 /nfs/dbraw/zinc/95/79/45/1092957945.db2.gz CXOMJGGUBSWPDP-UHFFFAOYSA-N -1 3 325.344 2.567 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588559357 1092959892 /nfs/dbraw/zinc/95/98/92/1092959892.db2.gz JQTVSULTASIJKD-HOCLYGCPSA-N -1 3 339.443 2.860 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588559357 1092959898 /nfs/dbraw/zinc/95/98/98/1092959898.db2.gz JQTVSULTASIJKD-HOCLYGCPSA-N -1 3 339.443 2.860 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)C1 ZINC001588560257 1092959910 /nfs/dbraw/zinc/95/99/10/1092959910.db2.gz OVIJJCUXDPXEQS-LBPRGKRZSA-N -1 3 336.399 2.776 20 30 EFEDHM C=CC[C@H]1CCCN(C(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)C1 ZINC001588560257 1092959919 /nfs/dbraw/zinc/95/99/19/1092959919.db2.gz OVIJJCUXDPXEQS-LBPRGKRZSA-N -1 3 336.399 2.776 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588563872 1092959990 /nfs/dbraw/zinc/95/99/90/1092959990.db2.gz DAZJNORVNJWOOI-CYBMUJFWSA-N -1 3 342.403 2.836 20 30 EFEDHM C=CC[C@@H]1CCN1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588563872 1092960000 /nfs/dbraw/zinc/96/00/00/1092960000.db2.gz DAZJNORVNJWOOI-CYBMUJFWSA-N -1 3 342.403 2.836 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588559710 1092960042 /nfs/dbraw/zinc/96/00/42/1092960042.db2.gz LCJWBTIPGJUIAW-JSGCOSHPSA-N -1 3 327.388 2.862 20 30 EFEDHM C=CC[C@H]1CCCC[C@@H]1OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588559710 1092960050 /nfs/dbraw/zinc/96/00/50/1092960050.db2.gz LCJWBTIPGJUIAW-JSGCOSHPSA-N -1 3 327.388 2.862 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588559331 1092960499 /nfs/dbraw/zinc/96/04/99/1092960499.db2.gz JFXBAFFMGYQQFC-IAQYHMDHSA-N -1 3 329.379 2.871 20 30 EFEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588559331 1092960509 /nfs/dbraw/zinc/96/05/09/1092960509.db2.gz JFXBAFFMGYQQFC-IAQYHMDHSA-N -1 3 329.379 2.871 20 30 EFEDHM C=CCC1(CNc2nc3c(cc2-c2nnn[n-]2)COCC3)CCCC1 ZINC001588557398 1092962290 /nfs/dbraw/zinc/96/22/90/1092962290.db2.gz PABIFGMLXGVUGZ-UHFFFAOYSA-N -1 3 340.431 2.883 20 30 EFEDHM C=CCC1(CNc2nc3c(cc2-c2nn[n-]n2)COCC3)CCCC1 ZINC001588557398 1092962298 /nfs/dbraw/zinc/96/22/98/1092962298.db2.gz PABIFGMLXGVUGZ-UHFFFAOYSA-N -1 3 340.431 2.883 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)C1 ZINC001588564409 1092962716 /nfs/dbraw/zinc/96/27/16/1092962716.db2.gz NBIHIFLYRANPCN-LLVKDONJSA-N -1 3 330.367 2.744 20 30 EFEDHM C=CC[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)C1 ZINC001588564409 1092962729 /nfs/dbraw/zinc/96/27/29/1092962729.db2.gz NBIHIFLYRANPCN-LLVKDONJSA-N -1 3 330.367 2.744 20 30 EFEDHM C=CCCCC(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001588590371 1092964464 /nfs/dbraw/zinc/96/44/64/1092964464.db2.gz JXXSOBQZTKVPSZ-LBPRGKRZSA-N -1 3 346.410 2.669 20 30 EFEDHM C=CCCCC(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001588590371 1092964474 /nfs/dbraw/zinc/96/44/74/1092964474.db2.gz JXXSOBQZTKVPSZ-LBPRGKRZSA-N -1 3 346.410 2.669 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588579964 1092964833 /nfs/dbraw/zinc/96/48/33/1092964833.db2.gz WLSXYICHNHCIJI-CYBMUJFWSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588579964 1092964841 /nfs/dbraw/zinc/96/48/41/1092964841.db2.gz WLSXYICHNHCIJI-CYBMUJFWSA-N -1 3 342.403 2.838 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588580048 1092965349 /nfs/dbraw/zinc/96/53/49/1092965349.db2.gz YFQJDTOOZVJWMJ-MRXNPFEDSA-N -1 3 339.443 2.983 20 30 EFEDHM C=CCC[C@@H]1CCCN1C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588580048 1092965357 /nfs/dbraw/zinc/96/53/57/1092965357.db2.gz YFQJDTOOZVJWMJ-MRXNPFEDSA-N -1 3 339.443 2.983 20 30 EFEDHM C=CCCCNC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588600592 1092966139 /nfs/dbraw/zinc/96/61/39/1092966139.db2.gz HXSOZJAGKOJVHZ-UHFFFAOYSA-N -1 3 326.404 2.531 20 30 EFEDHM C=CCCCNC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588600592 1092966151 /nfs/dbraw/zinc/96/61/51/1092966151.db2.gz HXSOZJAGKOJVHZ-UHFFFAOYSA-N -1 3 326.404 2.531 20 30 EFEDHM C=CCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588600622 1092966173 /nfs/dbraw/zinc/96/61/73/1092966173.db2.gz IRBAJCYZYSGGMZ-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588600622 1092966178 /nfs/dbraw/zinc/96/61/78/1092966178.db2.gz IRBAJCYZYSGGMZ-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=CCCCCCNC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001588596282 1092967413 /nfs/dbraw/zinc/96/74/13/1092967413.db2.gz MGBJLYLCRUYFJD-UHFFFAOYSA-N -1 3 348.382 2.882 20 30 EFEDHM C=CCCCCCNC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001588596282 1092967422 /nfs/dbraw/zinc/96/74/22/1092967422.db2.gz MGBJLYLCRUYFJD-UHFFFAOYSA-N -1 3 348.382 2.882 20 30 EFEDHM C=CCCCN(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588601592 1092968291 /nfs/dbraw/zinc/96/82/91/1092968291.db2.gz QPJSRNJMKPLXGM-UHFFFAOYSA-N -1 3 334.811 2.628 20 30 EFEDHM C=CCCCN(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588601592 1092968297 /nfs/dbraw/zinc/96/82/97/1092968297.db2.gz QPJSRNJMKPLXGM-UHFFFAOYSA-N -1 3 334.811 2.628 20 30 EFEDHM C=CCCSCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588617803 1092969275 /nfs/dbraw/zinc/96/92/75/1092969275.db2.gz AFNKUZXAYZEKIA-UHFFFAOYSA-N -1 3 332.433 2.606 20 30 EFEDHM C=CCCSCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588617803 1092969279 /nfs/dbraw/zinc/96/92/79/1092969279.db2.gz AFNKUZXAYZEKIA-UHFFFAOYSA-N -1 3 332.433 2.606 20 30 EFEDHM C=CCCn1cc(CSCc2ccc(F)cc2-c2nnn[n-]2)nn1 ZINC001588626401 1092969751 /nfs/dbraw/zinc/96/97/51/1092969751.db2.gz ZBDVNRBSPJVNRB-UHFFFAOYSA-N -1 3 345.407 2.607 20 30 EFEDHM C=CCCn1cc(CSCc2ccc(F)cc2-c2nn[n-]n2)nn1 ZINC001588626401 1092969759 /nfs/dbraw/zinc/96/97/59/1092969759.db2.gz ZBDVNRBSPJVNRB-UHFFFAOYSA-N -1 3 345.407 2.607 20 30 EFEDHM C=CCCOCCCCC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588617811 1092970448 /nfs/dbraw/zinc/97/04/48/1092970448.db2.gz AMNJQJYQMUKQPC-UHFFFAOYSA-N -1 3 341.415 2.519 20 30 EFEDHM C=CCCOCCCCC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588617811 1092970450 /nfs/dbraw/zinc/97/04/50/1092970450.db2.gz AMNJQJYQMUKQPC-UHFFFAOYSA-N -1 3 341.415 2.519 20 30 EFEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588628394 1092970700 /nfs/dbraw/zinc/97/07/00/1092970700.db2.gz XGNQGUYATBJDKO-UHFFFAOYSA-N -1 3 345.712 2.711 20 30 EFEDHM C=CCN(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588628394 1092970707 /nfs/dbraw/zinc/97/07/07/1092970707.db2.gz XGNQGUYATBJDKO-UHFFFAOYSA-N -1 3 345.712 2.711 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccsc1 ZINC001588640671 1092971258 /nfs/dbraw/zinc/97/12/58/1092971258.db2.gz XKRCWCBLUHJEAY-UHFFFAOYSA-N -1 3 339.424 2.686 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccsc1 ZINC001588640671 1092971269 /nfs/dbraw/zinc/97/12/69/1092971269.db2.gz XKRCWCBLUHJEAY-UHFFFAOYSA-N -1 3 339.424 2.686 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C=CCCC1 ZINC001588641710 1092971820 /nfs/dbraw/zinc/97/18/20/1092971820.db2.gz KSSKWHIWAUXVFT-MRXNPFEDSA-N -1 3 338.415 2.673 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C=CCCC1 ZINC001588641710 1092971828 /nfs/dbraw/zinc/97/18/28/1092971828.db2.gz KSSKWHIWAUXVFT-MRXNPFEDSA-N -1 3 338.415 2.673 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(SC)CCC1 ZINC001588639535 1092973012 /nfs/dbraw/zinc/97/30/12/1092973012.db2.gz STOIAYSXMCSDSX-UHFFFAOYSA-N -1 3 343.456 2.667 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(SC)CCC1 ZINC001588639535 1092973026 /nfs/dbraw/zinc/97/30/26/1092973026.db2.gz STOIAYSXMCSDSX-UHFFFAOYSA-N -1 3 343.456 2.667 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(F)CCCC1 ZINC001588639008 1092973637 /nfs/dbraw/zinc/97/36/37/1092973637.db2.gz MAQFJDPXTAYNKL-UHFFFAOYSA-N -1 3 329.379 2.664 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(F)CCCC1 ZINC001588639008 1092973642 /nfs/dbraw/zinc/97/36/42/1092973642.db2.gz MAQFJDPXTAYNKL-UHFFFAOYSA-N -1 3 329.379 2.664 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)[nH]1 ZINC001588648390 1092974942 /nfs/dbraw/zinc/97/49/42/1092974942.db2.gz OHKRXPVIYLFFKD-UHFFFAOYSA-N -1 3 342.790 2.677 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)[nH]1 ZINC001588648390 1092974956 /nfs/dbraw/zinc/97/49/56/1092974956.db2.gz OHKRXPVIYLFFKD-UHFFFAOYSA-N -1 3 342.790 2.677 20 30 EFEDHM C=CCN(Cc1cn(CC)nc1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588648653 1092976317 /nfs/dbraw/zinc/97/63/17/1092976317.db2.gz NUBLUPZLKIHDOC-UHFFFAOYSA-N -1 3 337.431 2.580 20 30 EFEDHM C=CCOCCCNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001588682966 1092978431 /nfs/dbraw/zinc/97/84/31/1092978431.db2.gz VJTUQIMIANHOSX-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=CCOCCCNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001588682966 1092978439 /nfs/dbraw/zinc/97/84/39/1092978439.db2.gz VJTUQIMIANHOSX-UHFFFAOYSA-N -1 3 338.209 2.634 20 30 EFEDHM C=CCSCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588688664 1092978977 /nfs/dbraw/zinc/97/89/77/1092978977.db2.gz MYBHKXHKGYHJSH-UHFFFAOYSA-N -1 3 338.824 2.561 20 30 EFEDHM C=CCSCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588688664 1092978984 /nfs/dbraw/zinc/97/89/84/1092978984.db2.gz MYBHKXHKGYHJSH-UHFFFAOYSA-N -1 3 338.824 2.561 20 30 EFEDHM C=CCn1c(C)nnc1SCc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588703096 1092980163 /nfs/dbraw/zinc/98/01/63/1092980163.db2.gz JUHGRHIKWUTHDQ-UHFFFAOYSA-N -1 3 341.444 2.862 20 30 EFEDHM C=CCn1c(C)nnc1SCc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588703096 1092980171 /nfs/dbraw/zinc/98/01/71/1092980171.db2.gz JUHGRHIKWUTHDQ-UHFFFAOYSA-N -1 3 341.444 2.862 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001588727448 1092980359 /nfs/dbraw/zinc/98/03/59/1092980359.db2.gz BESQAYLTYSKDFC-AAEUAGOBSA-N -1 3 328.420 2.562 20 30 EFEDHM C=C[C@@H]1OCC[C@H]1CNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001588727448 1092980372 /nfs/dbraw/zinc/98/03/72/1092980372.db2.gz BESQAYLTYSKDFC-AAEUAGOBSA-N -1 3 328.420 2.562 20 30 EFEDHM C=CCn1c(C)nnc1SCc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588702851 1092981106 /nfs/dbraw/zinc/98/11/06/1092981106.db2.gz DONDNTGENJVCED-UHFFFAOYSA-N -1 3 347.835 2.898 20 30 EFEDHM C=CCn1c(C)nnc1SCc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588702851 1092981115 /nfs/dbraw/zinc/98/11/15/1092981115.db2.gz DONDNTGENJVCED-UHFFFAOYSA-N -1 3 347.835 2.898 20 30 EFEDHM C=CCc1cc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc(OC)c1O ZINC001588694227 1092981456 /nfs/dbraw/zinc/98/14/56/1092981456.db2.gz FRYWBEDOYSRXBJ-ALCCZGGFSA-N -1 3 335.367 2.875 20 30 EFEDHM C=CCc1cc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc(OC)c1O ZINC001588694227 1092981464 /nfs/dbraw/zinc/98/14/64/1092981464.db2.gz FRYWBEDOYSRXBJ-ALCCZGGFSA-N -1 3 335.367 2.875 20 30 EFEDHM C=CCONC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588689634 1092981684 /nfs/dbraw/zinc/98/16/84/1092981684.db2.gz OSTYPOKFIAIFDH-UHFFFAOYSA-N -1 3 337.339 2.506 20 30 EFEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccccc1-c1nnn[n-]1 ZINC001588780841 1092991627 /nfs/dbraw/zinc/99/16/27/1092991627.db2.gz QHQRFUGUIZEMJC-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccccc1-c1nn[n-]n1 ZINC001588780841 1092991634 /nfs/dbraw/zinc/99/16/34/1092991634.db2.gz QHQRFUGUIZEMJC-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001588780890 1092992640 /nfs/dbraw/zinc/99/26/40/1092992640.db2.gz RXCGXTDUBIAKGI-SNVBAGLBSA-N -1 3 345.407 2.568 20 30 EFEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC001588780890 1092992645 /nfs/dbraw/zinc/99/26/45/1092992645.db2.gz RXCGXTDUBIAKGI-SNVBAGLBSA-N -1 3 345.407 2.568 20 30 EFEDHM CC(N=Nc1ncccc1F)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588781142 1092992748 /nfs/dbraw/zinc/99/27/48/1092992748.db2.gz HVUAYAMYTNNYEY-UHFFFAOYSA-N -1 3 331.742 2.890 20 30 EFEDHM CC(N=Nc1ncccc1F)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588781142 1092992759 /nfs/dbraw/zinc/99/27/59/1092992759.db2.gz HVUAYAMYTNNYEY-UHFFFAOYSA-N -1 3 331.742 2.890 20 30 EFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588882782 1092999525 /nfs/dbraw/zinc/99/95/25/1092999525.db2.gz SNRYKJYTHLLHIK-CMDGGOBGSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588882782 1092999532 /nfs/dbraw/zinc/99/95/32/1092999532.db2.gz SNRYKJYTHLLHIK-CMDGGOBGSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1cccc(-c2nnn[n-]2)c1F ZINC001588919494 1093010769 /nfs/dbraw/zinc/01/07/69/1093010769.db2.gz AAZLDNPZUZOSPY-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCc1cccc(-c2nn[n-]n2)c1F ZINC001588919494 1093010774 /nfs/dbraw/zinc/01/07/74/1093010774.db2.gz AAZLDNPZUZOSPY-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CC(C)(C)c1csc(NC(=O)NCC(C)(C)C#N)c1-c1nnn[n-]1 ZINC001589035934 1093018857 /nfs/dbraw/zinc/01/88/57/1093018857.db2.gz DDDVRGVGDBUZLL-UHFFFAOYSA-N -1 3 347.448 2.897 20 30 EFEDHM CC(C)(C)c1csc(NC(=O)NCC(C)(C)C#N)c1-c1nn[n-]n1 ZINC001589035934 1093018864 /nfs/dbraw/zinc/01/88/64/1093018864.db2.gz DDDVRGVGDBUZLL-UHFFFAOYSA-N -1 3 347.448 2.897 20 30 EFEDHM CC(C)(C(=O)Nc1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589058138 1093023228 /nfs/dbraw/zinc/02/32/28/1093023228.db2.gz KLDBLMIPAFLGFI-UHFFFAOYSA-N -1 3 346.394 2.849 20 30 EFEDHM CC(C)(C(=O)Nc1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589058138 1093023230 /nfs/dbraw/zinc/02/32/30/1093023230.db2.gz KLDBLMIPAFLGFI-UHFFFAOYSA-N -1 3 346.394 2.849 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001589086312 1093027741 /nfs/dbraw/zinc/02/77/41/1093027741.db2.gz YFSFZZILZIGDOJ-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001589086312 1093027748 /nfs/dbraw/zinc/02/77/48/1093027748.db2.gz YFSFZZILZIGDOJ-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)(C)[C@H](C#N)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001589086314 1093028275 /nfs/dbraw/zinc/02/82/75/1093028275.db2.gz YGDJCOXAFWFDTC-ZDUSSCGKSA-N -1 3 345.428 2.581 20 30 EFEDHM CC(C)(C)[C@H](C#N)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001589086314 1093028285 /nfs/dbraw/zinc/02/82/85/1093028285.db2.gz YGDJCOXAFWFDTC-ZDUSSCGKSA-N -1 3 345.428 2.581 20 30 EFEDHM CC(C)(C)CCCOC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589124967 1093037884 /nfs/dbraw/zinc/03/78/84/1093037884.db2.gz MNPWLEBEWRETNO-HNNXBMFYSA-N -1 3 341.415 2.918 20 30 EFEDHM CC(C)(C)CCCOC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589124967 1093037892 /nfs/dbraw/zinc/03/78/92/1093037892.db2.gz MNPWLEBEWRETNO-HNNXBMFYSA-N -1 3 341.415 2.918 20 30 EFEDHM CC(C)(C)c1ccc(C=NOCc2ncc(-c3nnn[n-]3)cn2)cc1 ZINC001589227959 1093054385 /nfs/dbraw/zinc/05/43/85/1093054385.db2.gz NGKGDHRAPBYMOW-UHFFFAOYSA-N -1 3 337.387 2.505 20 30 EFEDHM CC(C)(C)c1ccc(C=NOCc2ncc(-c3nn[n-]n3)cn2)cc1 ZINC001589227959 1093054394 /nfs/dbraw/zinc/05/43/94/1093054394.db2.gz NGKGDHRAPBYMOW-UHFFFAOYSA-N -1 3 337.387 2.505 20 30 EFEDHM CC(C)(CC(F)(F)F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001589270025 1093062066 /nfs/dbraw/zinc/06/20/66/1093062066.db2.gz SAJCCXKNACVLIN-UHFFFAOYSA-N -1 3 338.293 2.655 20 30 EFEDHM CC(C)(CC(F)(F)F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001589270025 1093062075 /nfs/dbraw/zinc/06/20/75/1093062075.db2.gz SAJCCXKNACVLIN-UHFFFAOYSA-N -1 3 338.293 2.655 20 30 EFEDHM CC(C)[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1cccnc1 ZINC001589456232 1093084882 /nfs/dbraw/zinc/08/48/82/1093084882.db2.gz CUYAINPREFCRQK-MRXNPFEDSA-N -1 3 333.399 2.985 20 30 EFEDHM CC(C)[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1cccnc1 ZINC001589456232 1093084891 /nfs/dbraw/zinc/08/48/91/1093084891.db2.gz CUYAINPREFCRQK-MRXNPFEDSA-N -1 3 333.399 2.985 20 30 EFEDHM CC(C)[C@@H]1C[C@@H](CNc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589499066 1093094283 /nfs/dbraw/zinc/09/42/83/1093094283.db2.gz HLXKLZVDVJCADY-WFASDCNBSA-N -1 3 326.404 2.601 20 30 EFEDHM CC(C)[C@@H]1C[C@@H](CNc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589499066 1093094290 /nfs/dbraw/zinc/09/42/90/1093094290.db2.gz HLXKLZVDVJCADY-WFASDCNBSA-N -1 3 326.404 2.601 20 30 EFEDHM C[C@@H](CC#N)NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001589787631 1093148839 /nfs/dbraw/zinc/14/88/39/1093148839.db2.gz MVQZUVRDOSINHV-QMMMGPOBSA-N -1 3 333.421 2.649 20 30 EFEDHM C[C@@H](CC#N)NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001589787631 1093148844 /nfs/dbraw/zinc/14/88/44/1093148844.db2.gz MVQZUVRDOSINHV-QMMMGPOBSA-N -1 3 333.421 2.649 20 30 EFEDHM C[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001589876343 1093163396 /nfs/dbraw/zinc/16/33/96/1093163396.db2.gz VFIFDXKKSCUJJF-NSHDSACASA-N -1 3 349.354 2.862 20 30 EFEDHM C[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001589876343 1093163398 /nfs/dbraw/zinc/16/33/98/1093163398.db2.gz VFIFDXKKSCUJJF-NSHDSACASA-N -1 3 349.354 2.862 20 30 EFEDHM C[C@H](NC(=O)CC1(C#N)CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC001589922446 1093179813 /nfs/dbraw/zinc/17/98/13/1093179813.db2.gz JSDJATKTLDKHBO-ZDUSSCGKSA-N -1 3 338.415 2.908 20 30 EFEDHM C[C@H](NC(=O)CC1(C#N)CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC001589922446 1093179818 /nfs/dbraw/zinc/17/98/18/1093179818.db2.gz JSDJATKTLDKHBO-ZDUSSCGKSA-N -1 3 338.415 2.908 20 30 EFEDHM C[C@@H](Nc1c(C#N)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001589978474 1093206308 /nfs/dbraw/zinc/20/63/08/1093206308.db2.gz UJEAKVBIJBBDSR-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1c(C#N)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001589978474 1093206309 /nfs/dbraw/zinc/20/63/09/1093206309.db2.gz UJEAKVBIJBBDSR-SNVBAGLBSA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](Nc1nc2ncccc2cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589988780 1093210698 /nfs/dbraw/zinc/21/06/98/1093210698.db2.gz RGJVHOHJDGBDPK-LLVKDONJSA-N -1 3 342.366 2.855 20 30 EFEDHM C[C@@H](Nc1nc2ncccc2cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589988780 1093210705 /nfs/dbraw/zinc/21/07/05/1093210705.db2.gz RGJVHOHJDGBDPK-LLVKDONJSA-N -1 3 342.366 2.855 20 30 EFEDHM C[C@H](Nc1nc2ncccc2cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589988782 1093212157 /nfs/dbraw/zinc/21/21/57/1093212157.db2.gz RGJVHOHJDGBDPK-NSHDSACASA-N -1 3 342.366 2.855 20 30 EFEDHM C[C@H](Nc1nc2ncccc2cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589988782 1093212160 /nfs/dbraw/zinc/21/21/60/1093212160.db2.gz RGJVHOHJDGBDPK-NSHDSACASA-N -1 3 342.366 2.855 20 30 EFEDHM C[C@H](Nc1nc2c(cc1C#N)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001589990383 1093213307 /nfs/dbraw/zinc/21/33/07/1093213307.db2.gz IBHFFRDVKWQYHB-NSHDSACASA-N -1 3 331.383 2.795 20 30 EFEDHM C[C@H](Nc1nc2c(cc1C#N)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001589990383 1093213311 /nfs/dbraw/zinc/21/33/11/1093213311.db2.gz IBHFFRDVKWQYHB-NSHDSACASA-N -1 3 331.383 2.795 20 30 EFEDHM C[C@@H](Nc1nc2c(cc1C#N)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001589990376 1093213464 /nfs/dbraw/zinc/21/34/64/1093213464.db2.gz IBHFFRDVKWQYHB-LLVKDONJSA-N -1 3 331.383 2.795 20 30 EFEDHM C[C@@H](Nc1nc2c(cc1C#N)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001589990376 1093213470 /nfs/dbraw/zinc/21/34/70/1093213470.db2.gz IBHFFRDVKWQYHB-LLVKDONJSA-N -1 3 331.383 2.795 20 30 EFEDHM C[C@H](OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001590004625 1093215929 /nfs/dbraw/zinc/21/59/29/1093215929.db2.gz VFDFHJFXZPTNRV-GUYCJALGSA-N -1 3 347.378 2.853 20 30 EFEDHM C[C@H](OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001590004625 1093215934 /nfs/dbraw/zinc/21/59/34/1093215934.db2.gz VFDFHJFXZPTNRV-GUYCJALGSA-N -1 3 347.378 2.853 20 30 EFEDHM C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC001590006019 1093216576 /nfs/dbraw/zinc/21/65/76/1093216576.db2.gz PVLWIQNQBPBCSI-XIKOKIGWSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC001590006019 1093216584 /nfs/dbraw/zinc/21/65/84/1093216584.db2.gz PVLWIQNQBPBCSI-XIKOKIGWSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@@H](OC(=O)c1cccc(F)c1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001590011212 1093221766 /nfs/dbraw/zinc/22/17/66/1093221766.db2.gz RIJYUDMZBGRNFV-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1cccc(F)c1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001590011212 1093221769 /nfs/dbraw/zinc/22/17/69/1093221769.db2.gz RIJYUDMZBGRNFV-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1cscc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590014987 1093223888 /nfs/dbraw/zinc/22/38/88/1093223888.db2.gz AXLBPRMQDWDPOM-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](OC(=O)c1cscc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590014987 1093223896 /nfs/dbraw/zinc/22/38/96/1093223896.db2.gz AXLBPRMQDWDPOM-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](OC(=O)c1sccc1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001590015015 1093224224 /nfs/dbraw/zinc/22/42/24/1093224224.db2.gz BXPUPTWDIRINER-JTQLQIEISA-N -1 3 339.380 2.912 20 30 EFEDHM C[C@H](OC(=O)c1sccc1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001590015015 1093224231 /nfs/dbraw/zinc/22/42/31/1093224231.db2.gz BXPUPTWDIRINER-JTQLQIEISA-N -1 3 339.380 2.912 20 30 EFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCC(C)(C)C#N ZINC001590022840 1093224803 /nfs/dbraw/zinc/22/48/03/1093224803.db2.gz OXXFEQHENJWPKV-GFCCVEGCSA-N -1 3 343.387 2.507 20 30 EFEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(C)(C)CCC#N ZINC001590023265 1093226007 /nfs/dbraw/zinc/22/60/07/1093226007.db2.gz UMZCAVKPZTXIRD-GFCCVEGCSA-N -1 3 343.387 2.507 20 30 EFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C1CCCCC1 ZINC001590036826 1093229520 /nfs/dbraw/zinc/22/95/20/1093229520.db2.gz BNJGIHGHCFOYEB-SECBINFHSA-N -1 3 329.433 2.776 20 30 EFEDHM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C1CCCCC1 ZINC001590036826 1093229526 /nfs/dbraw/zinc/22/95/26/1093229526.db2.gz BNJGIHGHCFOYEB-SECBINFHSA-N -1 3 329.433 2.776 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C#N)cs1 ZINC001590042343 1093236195 /nfs/dbraw/zinc/23/61/95/1093236195.db2.gz DBFIXRGSYMUBAJ-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C#N)cs1 ZINC001590042343 1093236201 /nfs/dbraw/zinc/23/62/01/1093236201.db2.gz DBFIXRGSYMUBAJ-JTQLQIEISA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)cc1 ZINC001590043821 1093236648 /nfs/dbraw/zinc/23/66/48/1093236648.db2.gz QFJOUSLTPPSGAA-LBPRGKRZSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)cc1 ZINC001590043821 1093236653 /nfs/dbraw/zinc/23/66/53/1093236653.db2.gz QFJOUSLTPPSGAA-LBPRGKRZSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccsc1C#N ZINC001590043515 1093237738 /nfs/dbraw/zinc/23/77/38/1093237738.db2.gz OIPFKFXIHLIGAE-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccsc1C#N ZINC001590043515 1093237746 /nfs/dbraw/zinc/23/77/46/1093237746.db2.gz OIPFKFXIHLIGAE-SNVBAGLBSA-N -1 3 338.396 2.633 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590048462 1093243048 /nfs/dbraw/zinc/24/30/48/1093243048.db2.gz HWJQKIAJXIIIDF-GFCCVEGCSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590048462 1093243056 /nfs/dbraw/zinc/24/30/56/1093243056.db2.gz HWJQKIAJXIIIDF-GFCCVEGCSA-N -1 3 332.367 2.572 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001590048001 1093244207 /nfs/dbraw/zinc/24/42/07/1093244207.db2.gz BEJKTOBWTOJHKN-LLVKDONJSA-N -1 3 349.354 2.844 20 30 EFEDHM C[C@H](c1cccc(C#N)c1)N(C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001590048001 1093244213 /nfs/dbraw/zinc/24/42/13/1093244213.db2.gz BEJKTOBWTOJHKN-LLVKDONJSA-N -1 3 349.354 2.844 20 30 EFEDHM CC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCC(F)(F)CC1 ZINC001590070561 1093248901 /nfs/dbraw/zinc/24/89/01/1093248901.db2.gz CNAZWGCIWFNMDC-UHFFFAOYSA-N -1 3 346.341 2.892 20 30 EFEDHM CC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCC(F)(F)CC1 ZINC001590070561 1093248913 /nfs/dbraw/zinc/24/89/13/1093248913.db2.gz CNAZWGCIWFNMDC-UHFFFAOYSA-N -1 3 346.341 2.892 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H]2CC[C@@H](C#N)C2)c(Cl)c1 ZINC001650453398 1093263120 /nfs/dbraw/zinc/26/31/20/1093263120.db2.gz KWBBWVKDDVEXLZ-KOLCDFICSA-N -1 3 342.804 2.561 20 30 EFEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)OCCc2ccccc21 ZINC001590134103 1093280561 /nfs/dbraw/zinc/28/05/61/1093280561.db2.gz NYKKAJJUJDTZCQ-IBGZPJMESA-N -1 3 346.394 2.638 20 30 EFEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)OCCc2ccccc21 ZINC001590134103 1093280566 /nfs/dbraw/zinc/28/05/66/1093280566.db2.gz NYKKAJJUJDTZCQ-IBGZPJMESA-N -1 3 346.394 2.638 20 30 EFEDHM C[C@H]1CCc2c(sc(NC(=O)CC(C)(C)C#N)c2-c2nnn[n-]2)C1 ZINC001590280939 1093359067 /nfs/dbraw/zinc/35/90/67/1093359067.db2.gz ZTRGXAKVIAUPBI-VIFPVBQESA-N -1 3 344.444 2.931 20 30 EFEDHM C[C@H]1CCc2c(sc(NC(=O)CC(C)(C)C#N)c2-c2nn[n-]n2)C1 ZINC001590280939 1093359075 /nfs/dbraw/zinc/35/90/75/1093359075.db2.gz ZTRGXAKVIAUPBI-VIFPVBQESA-N -1 3 344.444 2.931 20 30 EFEDHM C[C@@H]1CN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)[C@H]1C ZINC001590316126 1093372225 /nfs/dbraw/zinc/37/22/25/1093372225.db2.gz KIPVIWDLRSIXPX-NEPJUHHUSA-N -1 3 337.431 2.637 20 30 EFEDHM C[C@@H]1CN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)[C@H]1C ZINC001590316126 1093372233 /nfs/dbraw/zinc/37/22/33/1093372233.db2.gz KIPVIWDLRSIXPX-NEPJUHHUSA-N -1 3 337.431 2.637 20 30 EFEDHM CCC(N=Nc1nc2ccccc2n1C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590358690 1093389049 /nfs/dbraw/zinc/38/90/49/1093389049.db2.gz CIAFVXOCMRKPBX-UHFFFAOYSA-N -1 3 346.398 2.980 20 30 EFEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@@H]1CCCOC1 ZINC001590358698 1093390088 /nfs/dbraw/zinc/39/00/88/1093390088.db2.gz CYWDGPWLNVNCRR-SECBINFHSA-N -1 3 335.799 2.520 20 30 EFEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)[C@@H]1CCCOC1 ZINC001590358698 1093390095 /nfs/dbraw/zinc/39/00/95/1093390095.db2.gz CYWDGPWLNVNCRR-SECBINFHSA-N -1 3 335.799 2.520 20 30 EFEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@H]1CCCOC1 ZINC001590358699 1093390124 /nfs/dbraw/zinc/39/01/24/1093390124.db2.gz CYWDGPWLNVNCRR-VIFPVBQESA-N -1 3 335.799 2.520 20 30 EFEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)[C@H]1CCCOC1 ZINC001590358699 1093390129 /nfs/dbraw/zinc/39/01/29/1093390129.db2.gz CYWDGPWLNVNCRR-VIFPVBQESA-N -1 3 335.799 2.520 20 30 EFEDHM CCC(C#N)(CC)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001590367623 1093392775 /nfs/dbraw/zinc/39/27/75/1093392775.db2.gz VLVOXHHQXTXWKZ-UHFFFAOYSA-N -1 3 333.779 2.893 20 30 EFEDHM CCC(C#N)(CC)C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001590367623 1093392785 /nfs/dbraw/zinc/39/27/85/1093392785.db2.gz VLVOXHHQXTXWKZ-UHFFFAOYSA-N -1 3 333.779 2.893 20 30 EFEDHM CC[C@@H](C)Cc1noc([C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001590409567 1093407428 /nfs/dbraw/zinc/40/74/28/1093407428.db2.gz LVPRBSRXBCBAMD-BXUZGUMPSA-N -1 3 337.387 2.688 20 30 EFEDHM CC[C@@H](C)Cc1noc([C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001590409567 1093407436 /nfs/dbraw/zinc/40/74/36/1093407436.db2.gz LVPRBSRXBCBAMD-BXUZGUMPSA-N -1 3 337.387 2.688 20 30 EFEDHM CC[C@@H](C)Cc1noc([C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001590409576 1093408166 /nfs/dbraw/zinc/40/81/66/1093408166.db2.gz LVPRBSRXBCBAMD-RISCZKNCSA-N -1 3 337.387 2.688 20 30 EFEDHM CC[C@@H](C)Cc1noc([C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001590409576 1093408171 /nfs/dbraw/zinc/40/81/71/1093408171.db2.gz LVPRBSRXBCBAMD-RISCZKNCSA-N -1 3 337.387 2.688 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590433806 1093420001 /nfs/dbraw/zinc/42/00/01/1093420001.db2.gz MRFUMJYZZFHGFQ-UHFFFAOYSA-N -1 3 344.394 2.798 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590433806 1093420004 /nfs/dbraw/zinc/42/00/04/1093420004.db2.gz MRFUMJYZZFHGFQ-UHFFFAOYSA-N -1 3 344.394 2.798 20 30 EFEDHM Cc1nsc(NC[C@@H](C)N(C)C(=O)c2ccccc2[O-])c1C#N ZINC001104472112 1093437504 /nfs/dbraw/zinc/43/75/04/1093437504.db2.gz LSZFACOBUHYMMF-SNVBAGLBSA-N -1 3 330.413 2.601 20 30 EFEDHM CCC[C@H](C#N)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001590538750 1093475825 /nfs/dbraw/zinc/47/58/25/1093475825.db2.gz MZMLJDFAUVRGSA-LLVKDONJSA-N -1 3 340.412 2.812 20 30 EFEDHM CCC[C@H](C#N)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001590538750 1093475830 /nfs/dbraw/zinc/47/58/30/1093475830.db2.gz MZMLJDFAUVRGSA-LLVKDONJSA-N -1 3 340.412 2.812 20 30 EFEDHM CCCCCCCCCNC(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001590592425 1093503713 /nfs/dbraw/zinc/50/37/13/1093503713.db2.gz QZSSEZAUDPYNLM-UHFFFAOYSA-N -1 3 345.451 2.812 20 30 EFEDHM CCCCCCCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001590592425 1093503718 /nfs/dbraw/zinc/50/37/18/1093503718.db2.gz QZSSEZAUDPYNLM-UHFFFAOYSA-N -1 3 345.451 2.812 20 30 EFEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccc(C#N)cc1 ZINC001590673622 1093542876 /nfs/dbraw/zinc/54/28/76/1093542876.db2.gz HIMQUJTWXIQERE-UHFFFAOYSA-N -1 3 332.367 2.714 20 30 EFEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccc(C#N)cc1 ZINC001590673622 1093542877 /nfs/dbraw/zinc/54/28/77/1093542877.db2.gz HIMQUJTWXIQERE-UHFFFAOYSA-N -1 3 332.367 2.714 20 30 EFEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001590674772 1093543923 /nfs/dbraw/zinc/54/39/23/1093543923.db2.gz XIIIAJNDQDXRKJ-CYBMUJFWSA-N -1 3 346.394 2.962 20 30 EFEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001590674772 1093543928 /nfs/dbraw/zinc/54/39/28/1093543928.db2.gz XIIIAJNDQDXRKJ-CYBMUJFWSA-N -1 3 346.394 2.962 20 30 EFEDHM CCOC(=O)Nc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1-c1nnn[n-]1 ZINC001590768360 1093564220 /nfs/dbraw/zinc/56/42/20/1093564220.db2.gz CMOZIDFKTWJGEJ-QWRGUYRKSA-N -1 3 341.375 2.539 20 30 EFEDHM CCOC(=O)Nc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1-c1nn[n-]n1 ZINC001590768360 1093564226 /nfs/dbraw/zinc/56/42/26/1093564226.db2.gz CMOZIDFKTWJGEJ-QWRGUYRKSA-N -1 3 341.375 2.539 20 30 EFEDHM CCO[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001590784962 1093569776 /nfs/dbraw/zinc/56/97/76/1093569776.db2.gz BHYZNLWSMYQCSN-MRXNPFEDSA-N -1 3 334.383 2.928 20 30 EFEDHM CCO[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001590784962 1093569784 /nfs/dbraw/zinc/56/97/84/1093569784.db2.gz BHYZNLWSMYQCSN-MRXNPFEDSA-N -1 3 334.383 2.928 20 30 EFEDHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(C#N)c(F)c1 ZINC001590824715 1093582922 /nfs/dbraw/zinc/58/29/22/1093582922.db2.gz CEBLYDFNFXDUIW-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)c(F)c1 ZINC001590824715 1093582928 /nfs/dbraw/zinc/58/29/28/1093582928.db2.gz CEBLYDFNFXDUIW-UHFFFAOYSA-N -1 3 339.330 2.855 20 30 EFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1csc(C#N)c1 ZINC001590834315 1093587094 /nfs/dbraw/zinc/58/70/94/1093587094.db2.gz AGYVSTMPBWIZHD-UHFFFAOYSA-N -1 3 326.385 2.811 20 30 EFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1csc(C#N)c1 ZINC001590834315 1093587102 /nfs/dbraw/zinc/58/71/02/1093587102.db2.gz AGYVSTMPBWIZHD-UHFFFAOYSA-N -1 3 326.385 2.811 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2ccc(C#N)o2)c1-c1nnn[n-]1 ZINC001590872268 1093607265 /nfs/dbraw/zinc/60/72/65/1093607265.db2.gz NMYKUSXJRQIDRL-UHFFFAOYSA-N -1 3 328.357 2.516 20 30 EFEDHM CCc1c(C)sc(NC(=O)c2ccc(C#N)o2)c1-c1nn[n-]n1 ZINC001590872268 1093607268 /nfs/dbraw/zinc/60/72/68/1093607268.db2.gz NMYKUSXJRQIDRL-UHFFFAOYSA-N -1 3 328.357 2.516 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccsc1C#N ZINC001590877612 1093611269 /nfs/dbraw/zinc/61/12/69/1093611269.db2.gz YIBRNGDRTQYSHL-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccsc1C#N ZINC001590877612 1093611271 /nfs/dbraw/zinc/61/12/71/1093611271.db2.gz YIBRNGDRTQYSHL-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1ccc(OC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001590890973 1093619550 /nfs/dbraw/zinc/61/95/50/1093619550.db2.gz BGSMLDNYMMVWFD-MRXNPFEDSA-N -1 3 347.378 2.717 20 30 EFEDHM CCc1ccc(OC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001590890973 1093619554 /nfs/dbraw/zinc/61/95/54/1093619554.db2.gz BGSMLDNYMMVWFD-MRXNPFEDSA-N -1 3 347.378 2.717 20 30 EFEDHM CCc1cccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)c1 ZINC001590895086 1093621592 /nfs/dbraw/zinc/62/15/92/1093621592.db2.gz YDPKYTFYSDWZDM-UHFFFAOYSA-N -1 3 337.412 2.570 20 30 EFEDHM CCc1cccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)c1 ZINC001590895086 1093621598 /nfs/dbraw/zinc/62/15/98/1093621598.db2.gz YDPKYTFYSDWZDM-UHFFFAOYSA-N -1 3 337.412 2.570 20 30 EFEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1sccc1C#N ZINC001591128543 1093666204 /nfs/dbraw/zinc/66/62/04/1093666204.db2.gz MXRSGIIBWUZNMA-UHFFFAOYSA-N -1 3 345.413 2.525 20 30 EFEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1sccc1C#N ZINC001591128543 1093666208 /nfs/dbraw/zinc/66/62/08/1093666208.db2.gz MXRSGIIBWUZNMA-UHFFFAOYSA-N -1 3 345.413 2.525 20 30 EFEDHM CN(Cc1cccc(C#N)c1)c1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001591146634 1093674074 /nfs/dbraw/zinc/67/40/74/1093674074.db2.gz GEOWSMCUSKWVMH-UHFFFAOYSA-N -1 3 347.407 2.984 20 30 EFEDHM CN(Cc1cccc(C#N)c1)c1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001591146634 1093674077 /nfs/dbraw/zinc/67/40/77/1093674077.db2.gz GEOWSMCUSKWVMH-UHFFFAOYSA-N -1 3 347.407 2.984 20 30 EFEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C)c(C#N)c(C)c1 ZINC001591225000 1093680968 /nfs/dbraw/zinc/68/09/68/1093680968.db2.gz UCWPBZBWEWFPHS-UHFFFAOYSA-N -1 3 347.382 2.649 20 30 EFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)cc1 ZINC001591290816 1093683563 /nfs/dbraw/zinc/68/35/63/1093683563.db2.gz OSRJVGZDANLUHY-WMZJFQQLSA-N -1 3 348.362 2.858 20 30 EFEDHM COC(=O)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)cc1 ZINC001591290816 1093683570 /nfs/dbraw/zinc/68/35/70/1093683570.db2.gz OSRJVGZDANLUHY-WMZJFQQLSA-N -1 3 348.362 2.858 20 30 EFEDHM COC(=O)c1csc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001591308023 1093688894 /nfs/dbraw/zinc/68/88/94/1093688894.db2.gz VHOHAUPNSAMPQT-DUXPYHPUSA-N -1 3 346.393 2.672 20 30 EFEDHM COC(=O)c1csc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001591307706 1093689359 /nfs/dbraw/zinc/68/93/59/1093689359.db2.gz OQRCZGWEYUNVHJ-SREVYHEPSA-N -1 3 340.364 2.611 20 30 EFEDHM COC(=O)c1csc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001591307706 1093689362 /nfs/dbraw/zinc/68/93/62/1093689362.db2.gz OQRCZGWEYUNVHJ-SREVYHEPSA-N -1 3 340.364 2.611 20 30 EFEDHM CO[C@H](CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC001591325914 1093692182 /nfs/dbraw/zinc/69/21/82/1093692182.db2.gz CJYVPNVQQMJNCI-GFCCVEGCSA-N -1 3 340.309 2.708 20 30 EFEDHM CO[C@H](CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC001591325914 1093692183 /nfs/dbraw/zinc/69/21/83/1093692183.db2.gz CJYVPNVQQMJNCI-GFCCVEGCSA-N -1 3 340.309 2.708 20 30 EFEDHM COCC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC001591363852 1093705506 /nfs/dbraw/zinc/70/55/06/1093705506.db2.gz HSKRJLAAMDPYJX-UHFFFAOYSA-N -1 3 342.790 2.983 20 30 EFEDHM COCC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC001591363852 1093705511 /nfs/dbraw/zinc/70/55/11/1093705511.db2.gz HSKRJLAAMDPYJX-UHFFFAOYSA-N -1 3 342.790 2.983 20 30 EFEDHM COC[C@@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001591371931 1093708578 /nfs/dbraw/zinc/70/85/78/1093708578.db2.gz NXWPJUOXWRFMGX-MRVPVSSYSA-N -1 3 342.325 2.956 20 30 EFEDHM COC[C@@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001591371931 1093708585 /nfs/dbraw/zinc/70/85/85/1093708585.db2.gz NXWPJUOXWRFMGX-MRVPVSSYSA-N -1 3 342.325 2.956 20 30 EFEDHM COCc1cc(C#N)ccc1N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001591462010 1093730007 /nfs/dbraw/zinc/73/00/07/1093730007.db2.gz SCIZGWDGYQWMOH-SFHVURJKSA-N -1 3 346.394 2.984 20 30 EFEDHM COCc1cc(C#N)ccc1N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001591462010 1093730011 /nfs/dbraw/zinc/73/00/11/1093730011.db2.gz SCIZGWDGYQWMOH-SFHVURJKSA-N -1 3 346.394 2.984 20 30 EFEDHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001591518110 1093747427 /nfs/dbraw/zinc/74/74/27/1093747427.db2.gz NRKLJXXNSXBNGT-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C(=O)O[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001591518110 1093747432 /nfs/dbraw/zinc/74/74/32/1093747432.db2.gz NRKLJXXNSXBNGT-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(CNc2c(F)cc(C#N)cc2F)ccc1-c1nnn[n-]1 ZINC001591538114 1093756485 /nfs/dbraw/zinc/75/64/85/1093756485.db2.gz MASJITUCWMAYRZ-UHFFFAOYSA-N -1 3 342.309 2.637 20 30 EFEDHM COc1cc(CNc2c(F)cc(C#N)cc2F)ccc1-c1nn[n-]n1 ZINC001591538114 1093756495 /nfs/dbraw/zinc/75/64/95/1093756495.db2.gz MASJITUCWMAYRZ-UHFFFAOYSA-N -1 3 342.309 2.637 20 30 EFEDHM COc1cc(OCC#Cc2cccc(Cl)c2)cc(-c2nnn[n-]2)c1 ZINC001591552805 1093764681 /nfs/dbraw/zinc/76/46/81/1093764681.db2.gz VFJFYVFUINDKRL-UHFFFAOYSA-N -1 3 340.770 2.959 20 30 EFEDHM COc1cc(OCC#Cc2cccc(Cl)c2)cc(-c2nn[n-]n2)c1 ZINC001591552805 1093764688 /nfs/dbraw/zinc/76/46/88/1093764688.db2.gz VFJFYVFUINDKRL-UHFFFAOYSA-N -1 3 340.770 2.959 20 30 EFEDHM COc1cc(OCc2c(C)cc(C#N)cc2C)ccc1-c1nnn[n-]1 ZINC001591553047 1093767689 /nfs/dbraw/zinc/76/76/89/1093767689.db2.gz SEHRYBBDOOFBPE-UHFFFAOYSA-N -1 3 335.367 2.943 20 30 EFEDHM COc1cc(OCc2c(C)cc(C#N)cc2C)ccc1-c1nn[n-]n1 ZINC001591553047 1093767692 /nfs/dbraw/zinc/76/76/92/1093767692.db2.gz SEHRYBBDOOFBPE-UHFFFAOYSA-N -1 3 335.367 2.943 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)cc1O ZINC001591571652 1093775793 /nfs/dbraw/zinc/77/57/93/1093775793.db2.gz PQZRKIUQUZZAQI-ALCCZGGFSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cc1O ZINC001591571652 1093775798 /nfs/dbraw/zinc/77/57/98/1093775798.db2.gz PQZRKIUQUZZAQI-ALCCZGGFSA-N -1 3 340.314 2.616 20 30 EFEDHM COc1ccccc1CON=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591650470 1093819476 /nfs/dbraw/zinc/81/94/76/1093819476.db2.gz RPRLUDPTWHCXIK-UHFFFAOYSA-N -1 3 341.346 2.955 20 30 EFEDHM COc1ccccc1CON=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591650470 1093819481 /nfs/dbraw/zinc/81/94/81/1093819481.db2.gz RPRLUDPTWHCXIK-UHFFFAOYSA-N -1 3 341.346 2.955 20 30 EFEDHM CSc1ccc(CNc2cc(C)c(-c3nnn[n-]3)cn2)cc1C#N ZINC001591714173 1093840460 /nfs/dbraw/zinc/84/04/60/1093840460.db2.gz UIKNHUFBJPNZMU-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM CSc1ccc(CNc2cc(C)c(-c3nn[n-]n3)cn2)cc1C#N ZINC001591714173 1093840462 /nfs/dbraw/zinc/84/04/62/1093840462.db2.gz UIKNHUFBJPNZMU-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)O[C@H](C#N)C1CC1 ZINC001591813916 1093868097 /nfs/dbraw/zinc/86/80/97/1093868097.db2.gz XIXNZPDQTYTHIL-GFCCVEGCSA-N -1 3 339.380 2.849 20 30 EFEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)O[C@H](C#N)C1CC1 ZINC001591813916 1093868100 /nfs/dbraw/zinc/86/81/00/1093868100.db2.gz XIXNZPDQTYTHIL-GFCCVEGCSA-N -1 3 339.380 2.849 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccn1C(C)C ZINC001591812171 1093868384 /nfs/dbraw/zinc/86/83/84/1093868384.db2.gz GQXYXQNCUGJODU-UHFFFAOYSA-N -1 3 335.371 2.682 20 30 EFEDHM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccn1C(C)C ZINC001591812171 1093868388 /nfs/dbraw/zinc/86/83/88/1093868388.db2.gz GQXYXQNCUGJODU-UHFFFAOYSA-N -1 3 335.371 2.682 20 30 EFEDHM Cc1c(Cl)cnc(N2Cc3ccc(C#N)cc3C2)c1-c1nnn[n-]1 ZINC001591821295 1093870247 /nfs/dbraw/zinc/87/02/47/1093870247.db2.gz QXRAJRIPCZMTQI-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1c(Cl)cnc(N2Cc3ccc(C#N)cc3C2)c1-c1nn[n-]n1 ZINC001591821295 1093870249 /nfs/dbraw/zinc/87/02/49/1093870249.db2.gz QXRAJRIPCZMTQI-UHFFFAOYSA-N -1 3 337.774 2.615 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(CC#N)cc2)c1-c1nnn[n-]1 ZINC001591821434 1093872177 /nfs/dbraw/zinc/87/21/77/1093872177.db2.gz IYICLMROSJUALT-UHFFFAOYSA-N -1 3 339.790 2.902 20 30 EFEDHM Cc1c(Cl)cnc(NCc2ccc(CC#N)cc2)c1-c1nn[n-]n1 ZINC001591821434 1093872183 /nfs/dbraw/zinc/87/21/83/1093872183.db2.gz IYICLMROSJUALT-UHFFFAOYSA-N -1 3 339.790 2.902 20 30 EFEDHM Cc1c2c(nc(S[C@H]3CC[C@@H](C#N)C3)c1-c1nnn[n-]1)CCC2 ZINC001591830160 1093875503 /nfs/dbraw/zinc/87/55/03/1093875503.db2.gz KPYBMEZRXNUJMQ-MNOVXSKESA-N -1 3 326.429 2.843 20 30 EFEDHM Cc1c2c(nc(S[C@H]3CC[C@@H](C#N)C3)c1-c1nn[n-]n1)CCC2 ZINC001591830160 1093875505 /nfs/dbraw/zinc/87/55/05/1093875505.db2.gz KPYBMEZRXNUJMQ-MNOVXSKESA-N -1 3 326.429 2.843 20 30 EFEDHM Cc1c2c(nc(SCc3ccc(C#N)cn3)c1-c1nnn[n-]1)CCC2 ZINC001591830854 1093875624 /nfs/dbraw/zinc/87/56/24/1093875624.db2.gz VGSPQSMEHJJJNZ-UHFFFAOYSA-N -1 3 349.423 2.618 20 30 EFEDHM Cc1c2c(nc(SCc3ccc(C#N)cn3)c1-c1nn[n-]n1)CCC2 ZINC001591830854 1093875627 /nfs/dbraw/zinc/87/56/27/1093875627.db2.gz VGSPQSMEHJJJNZ-UHFFFAOYSA-N -1 3 349.423 2.618 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1ccc(CC#N)cc1 ZINC001591838533 1093877361 /nfs/dbraw/zinc/87/73/61/1093877361.db2.gz FSVQENHUHQWNKI-UHFFFAOYSA-N -1 3 332.367 2.802 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1ccc(CC#N)cc1 ZINC001591838533 1093877369 /nfs/dbraw/zinc/87/73/69/1093877369.db2.gz FSVQENHUHQWNKI-UHFFFAOYSA-N -1 3 332.367 2.802 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)OCCCC(C)(C)C#N ZINC001591840051 1093880541 /nfs/dbraw/zinc/88/05/41/1093880541.db2.gz SETOOISOVLVWMI-UHFFFAOYSA-N -1 3 327.388 2.970 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)OCCCC(C)(C)C#N ZINC001591840051 1093880549 /nfs/dbraw/zinc/88/05/49/1093880549.db2.gz SETOOISOVLVWMI-UHFFFAOYSA-N -1 3 327.388 2.970 20 30 EFEDHM Cc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc(C)c1-c1nnn[n-]1 ZINC001591918907 1093915720 /nfs/dbraw/zinc/91/57/20/1093915720.db2.gz MGLCQBWNIJNSRV-QGZVFWFLSA-N -1 3 326.404 2.542 20 30 EFEDHM Cc1cc(C(=O)N[C@](C)(C#N)C(C)(C)C)cc(C)c1-c1nn[n-]n1 ZINC001591918907 1093915725 /nfs/dbraw/zinc/91/57/25/1093915725.db2.gz MGLCQBWNIJNSRV-QGZVFWFLSA-N -1 3 326.404 2.542 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(CC#N)cc2)cc(C)c1-c1nnn[n-]1 ZINC001591933568 1093918438 /nfs/dbraw/zinc/91/84/38/1093918438.db2.gz WJVFXJQLCWWRQL-UHFFFAOYSA-N -1 3 332.367 2.802 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(CC#N)cc2)cc(C)c1-c1nn[n-]n1 ZINC001591933568 1093918446 /nfs/dbraw/zinc/91/84/46/1093918446.db2.gz WJVFXJQLCWWRQL-UHFFFAOYSA-N -1 3 332.367 2.802 20 30 EFEDHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc(C)c1C#N ZINC001591933588 1093919408 /nfs/dbraw/zinc/91/94/08/1093919408.db2.gz LOSIUJSFKLNMKB-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc(C)c1C#N ZINC001591933588 1093919416 /nfs/dbraw/zinc/91/94/16/1093919416.db2.gz LOSIUJSFKLNMKB-UHFFFAOYSA-N -1 3 332.367 2.916 20 30 EFEDHM Cc1cc(C)cc(OCCNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001591954678 1093931255 /nfs/dbraw/zinc/93/12/55/1093931255.db2.gz GAIIVVMPZIHWNC-UHFFFAOYSA-N -1 3 334.383 2.846 20 30 EFEDHM Cc1cc(C)cc(OCCNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001591954678 1093931261 /nfs/dbraw/zinc/93/12/61/1093931261.db2.gz GAIIVVMPZIHWNC-UHFFFAOYSA-N -1 3 334.383 2.846 20 30 EFEDHM Cc1cc(C=NNCc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC001591958516 1093932775 /nfs/dbraw/zinc/93/27/75/1093932775.db2.gz IUVRRUBQYAJNDQ-UHFFFAOYSA-N -1 3 326.791 2.952 20 30 EFEDHM Cc1cc(C=NNCc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC001591958516 1093932778 /nfs/dbraw/zinc/93/27/78/1093932778.db2.gz IUVRRUBQYAJNDQ-UHFFFAOYSA-N -1 3 326.791 2.952 20 30 EFEDHM Cc1cc(C=CC(=O)c2cn3c(n2)CCCC3)ccc1-c1nnn[n-]1 ZINC001591959142 1093932929 /nfs/dbraw/zinc/93/29/29/1093932929.db2.gz MEZFEBANAKNKMO-SOFGYWHQSA-N -1 3 334.383 2.604 20 30 EFEDHM Cc1cc(C=CC(=O)c2cn3c(n2)CCCC3)ccc1-c1nn[n-]n1 ZINC001591959142 1093932932 /nfs/dbraw/zinc/93/29/32/1093932932.db2.gz MEZFEBANAKNKMO-SOFGYWHQSA-N -1 3 334.383 2.604 20 30 EFEDHM Cc1cc(C=NNCc2cc(F)ccc2F)ccc1-c1nnn[n-]1 ZINC001591958761 1093933090 /nfs/dbraw/zinc/93/30/90/1093933090.db2.gz MRUGAJYWQRYGGF-UHFFFAOYSA-N -1 3 328.326 2.577 20 30 EFEDHM Cc1cc(C=NNCc2cc(F)ccc2F)ccc1-c1nn[n-]n1 ZINC001591958761 1093933094 /nfs/dbraw/zinc/93/30/94/1093933094.db2.gz MRUGAJYWQRYGGF-UHFFFAOYSA-N -1 3 328.326 2.577 20 30 EFEDHM Cc1cc(C=CC(=O)c2cc3n(n2)CCCC3)ccc1-c1nnn[n-]1 ZINC001591960057 1093933136 /nfs/dbraw/zinc/93/31/36/1093933136.db2.gz YPFVAQAZJQTJQL-SOFGYWHQSA-N -1 3 334.383 2.604 20 30 EFEDHM Cc1cc(C=CC(=O)c2cc3n(n2)CCCC3)ccc1-c1nn[n-]n1 ZINC001591960057 1093933141 /nfs/dbraw/zinc/93/31/41/1093933141.db2.gz YPFVAQAZJQTJQL-SOFGYWHQSA-N -1 3 334.383 2.604 20 30 EFEDHM Cc1cc(C)nc(N=NC2CCCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC001591957828 1093933652 /nfs/dbraw/zinc/93/36/52/1093933652.db2.gz LRQIIXOJDYHSRS-UHFFFAOYSA-N -1 3 348.414 2.816 20 30 EFEDHM Cc1cc(C)nc(N=NC2CCCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC001591957828 1093933655 /nfs/dbraw/zinc/93/36/55/1093933655.db2.gz LRQIIXOJDYHSRS-UHFFFAOYSA-N -1 3 348.414 2.816 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1-c1nnn[n-]1 ZINC001591958597 1093933665 /nfs/dbraw/zinc/93/36/65/1093933665.db2.gz DHOPHPMUCYIRPV-CLTKARDFSA-N -1 3 346.350 2.653 20 30 EFEDHM Cc1cc(C=CC(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1-c1nn[n-]n1 ZINC001591958597 1093933669 /nfs/dbraw/zinc/93/36/69/1093933669.db2.gz DHOPHPMUCYIRPV-CLTKARDFSA-N -1 3 346.350 2.653 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)c(NCc2ccc(C#N)c(F)c2)c1 ZINC001591978739 1093943995 /nfs/dbraw/zinc/94/39/95/1093943995.db2.gz MKDZMMNGBCZSCJ-UHFFFAOYSA-N -1 3 326.310 2.937 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)c(NCc2ccc(C#N)c(F)c2)c1 ZINC001591978739 1093943999 /nfs/dbraw/zinc/94/39/99/1093943999.db2.gz MKDZMMNGBCZSCJ-UHFFFAOYSA-N -1 3 326.310 2.937 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)cc1F ZINC001591986725 1093947244 /nfs/dbraw/zinc/94/72/44/1093947244.db2.gz GMEIXUNPEFDNLZ-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)cc1F ZINC001591986725 1093947247 /nfs/dbraw/zinc/94/72/47/1093947247.db2.gz GMEIXUNPEFDNLZ-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1cc(N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C#N)cn1 ZINC001592002305 1093952711 /nfs/dbraw/zinc/95/27/11/1093952711.db2.gz SXWALPONKSDJIY-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)c(C#N)cn1 ZINC001592002305 1093952714 /nfs/dbraw/zinc/95/27/14/1093952714.db2.gz SXWALPONKSDJIY-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)ncc1C#N ZINC001592037021 1093963910 /nfs/dbraw/zinc/96/39/10/1093963910.db2.gz HTUOWGMWUBQOMR-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1cc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ncc1C#N ZINC001592037021 1093963914 /nfs/dbraw/zinc/96/39/14/1093963914.db2.gz HTUOWGMWUBQOMR-INIZCTEOSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1cc(OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1C#N ZINC001592057394 1093969812 /nfs/dbraw/zinc/96/98/12/1093969812.db2.gz HDLLTSVCRFIYPW-UHFFFAOYSA-N -1 3 345.362 2.684 20 30 EFEDHM Cc1cc(OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1C#N ZINC001592057394 1093969813 /nfs/dbraw/zinc/96/98/13/1093969813.db2.gz HDLLTSVCRFIYPW-UHFFFAOYSA-N -1 3 345.362 2.684 20 30 EFEDHM Cc1cc(OC(=O)c2csc(C#N)c2)c(C)c(C)c1-c1nn[n-]n1 ZINC001592061171 1093971949 /nfs/dbraw/zinc/97/19/49/1093971949.db2.gz WQRXZLIDDVDGPL-UHFFFAOYSA-N -1 3 339.380 2.944 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001592096264 1093977776 /nfs/dbraw/zinc/97/77/76/1093977776.db2.gz CNIWBTHHUSTDFP-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC001592096264 1093977778 /nfs/dbraw/zinc/97/77/78/1093977778.db2.gz CNIWBTHHUSTDFP-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC001592097295 1093977794 /nfs/dbraw/zinc/97/77/94/1093977794.db2.gz PDSKWEOTPCMURW-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC001592097295 1093977795 /nfs/dbraw/zinc/97/77/95/1093977795.db2.gz PDSKWEOTPCMURW-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC001592096979 1093977923 /nfs/dbraw/zinc/97/79/23/1093977923.db2.gz MGHHOBCYDPGQKN-SFHVURJKSA-N -1 3 338.415 2.768 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC001592096979 1093977926 /nfs/dbraw/zinc/97/79/26/1093977926.db2.gz MGHHOBCYDPGQKN-SFHVURJKSA-N -1 3 338.415 2.768 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC001592099397 1093978923 /nfs/dbraw/zinc/97/89/23/1093978923.db2.gz JLKXERIJWQRAFG-BETUJISGSA-N -1 3 325.372 2.662 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC001592099397 1093978930 /nfs/dbraw/zinc/97/89/30/1093978930.db2.gz JLKXERIJWQRAFG-BETUJISGSA-N -1 3 325.372 2.662 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC001592103127 1093980272 /nfs/dbraw/zinc/98/02/72/1093980272.db2.gz CPQYZNCIBOTGCB-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)Cc1cccc(C#N)c1 ZINC001592103127 1093980276 /nfs/dbraw/zinc/98/02/76/1093980276.db2.gz CPQYZNCIBOTGCB-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C#N)c(F)cc1F ZINC001592100228 1093980348 /nfs/dbraw/zinc/98/03/48/1093980348.db2.gz OBGNWBVTKKKQCT-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C#N)c(F)cc1F ZINC001592100228 1093980350 /nfs/dbraw/zinc/98/03/50/1093980350.db2.gz OBGNWBVTKKKQCT-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001592113592 1093984295 /nfs/dbraw/zinc/98/42/95/1093984295.db2.gz RRAPZVDTDTVZHC-UHFFFAOYSA-N -1 3 346.394 2.845 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001592113592 1093984298 /nfs/dbraw/zinc/98/42/98/1093984298.db2.gz RRAPZVDTDTVZHC-UHFFFAOYSA-N -1 3 346.394 2.845 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001592113621 1093985183 /nfs/dbraw/zinc/98/51/83/1093985183.db2.gz UFBXQXBXJKGAKB-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001592113621 1093985184 /nfs/dbraw/zinc/98/51/84/1093985184.db2.gz UFBXQXBXJKGAKB-GFCCVEGCSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001592113120 1093985271 /nfs/dbraw/zinc/98/52/71/1093985271.db2.gz FXFQRBNPUPDWLX-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C#N)cc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001592113120 1093985272 /nfs/dbraw/zinc/98/52/72/1093985272.db2.gz FXFQRBNPUPDWLX-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)cc1-c1nnn[n-]1 ZINC001592132911 1093991450 /nfs/dbraw/zinc/99/14/50/1093991450.db2.gz PXZJOAFTDXGWDA-HNNXBMFYSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1ccc(C(=O)O[C@@H](C#N)C2CCCCC2)cc1-c1nn[n-]n1 ZINC001592132911 1093991457 /nfs/dbraw/zinc/99/14/57/1093991457.db2.gz PXZJOAFTDXGWDA-HNNXBMFYSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1ccc(COC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592167505 1094011963 /nfs/dbraw/zinc/01/19/63/1094011963.db2.gz KOTYFKMBGXGHSW-KRWDZBQOSA-N -1 3 347.378 2.601 20 30 EFEDHM Cc1ccc(COC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592167505 1094011967 /nfs/dbraw/zinc/01/19/67/1094011967.db2.gz KOTYFKMBGXGHSW-KRWDZBQOSA-N -1 3 347.378 2.601 20 30 EFEDHM Cc1ccc(CNc2nc3c(cc2C#N)CCC3)cc1-c1nnn[n-]1 ZINC001592167779 1094012899 /nfs/dbraw/zinc/01/28/99/1094012899.db2.gz SSDRKZSRUMCTIY-UHFFFAOYSA-N -1 3 331.383 2.543 20 30 EFEDHM Cc1ccc(CNc2nc3c(cc2C#N)CCC3)cc1-c1nn[n-]n1 ZINC001592167779 1094012902 /nfs/dbraw/zinc/01/29/02/1094012902.db2.gz SSDRKZSRUMCTIY-UHFFFAOYSA-N -1 3 331.383 2.543 20 30 EFEDHM Cc1ccc(F)cc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001592173289 1094016650 /nfs/dbraw/zinc/01/66/50/1094016650.db2.gz IQTMLNPSRVSUQV-GHXNOFRVSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc(F)cc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001592173289 1094016656 /nfs/dbraw/zinc/01/66/56/1094016656.db2.gz IQTMLNPSRVSUQV-GHXNOFRVSA-N -1 3 335.342 2.922 20 30 EFEDHM Cc1ccc2c(NNCc3ccc(-c4nnn[n-]4)cc3)csc2c1 ZINC001592206257 1094032034 /nfs/dbraw/zinc/03/20/34/1094032034.db2.gz WSLLURWJWZHEDN-UHFFFAOYSA-N -1 3 336.424 2.775 20 30 EFEDHM Cc1ccc2c(NNCc3ccc(-c4nn[n-]n4)cc3)csc2c1 ZINC001592206257 1094032039 /nfs/dbraw/zinc/03/20/39/1094032039.db2.gz WSLLURWJWZHEDN-UHFFFAOYSA-N -1 3 336.424 2.775 20 30 EFEDHM Cc1ccnc(N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C#N ZINC001592272658 1094059842 /nfs/dbraw/zinc/05/98/42/1094059842.db2.gz IBAKKEMEFNCHKQ-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1ccnc(N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)c1C#N ZINC001592272658 1094059846 /nfs/dbraw/zinc/05/98/46/1094059846.db2.gz IBAKKEMEFNCHKQ-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2c(C)cc(-c3nn[nH]n3)cc2C)n1 ZINC001592314465 1094074415 /nfs/dbraw/zinc/07/44/15/1094074415.db2.gz KGLVMZNKFGSUQC-LBPRGKRZSA-N -1 3 338.396 2.739 20 30 EFEDHM Cc1csc(NC(=O)c2sccc2CC#N)c1-c1nnn[n-]1 ZINC001592320995 1094077959 /nfs/dbraw/zinc/07/79/59/1094077959.db2.gz MPFMXFXYNCMIOA-UHFFFAOYSA-N -1 3 330.398 2.617 20 30 EFEDHM Cc1csc(NC(=O)c2sccc2CC#N)c1-c1nn[n-]n1 ZINC001592320995 1094077966 /nfs/dbraw/zinc/07/79/66/1094077966.db2.gz MPFMXFXYNCMIOA-UHFFFAOYSA-N -1 3 330.398 2.617 20 30 EFEDHM Cc1n[nH]c(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001592325620 1094079360 /nfs/dbraw/zinc/07/93/60/1094079360.db2.gz COJGWXHVIQCCGL-WAYWQWQTSA-N -1 3 328.763 2.756 20 30 EFEDHM Cc1n[nH]c(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001592325620 1094079365 /nfs/dbraw/zinc/07/93/65/1094079365.db2.gz COJGWXHVIQCCGL-WAYWQWQTSA-N -1 3 328.763 2.756 20 30 EFEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCc1cccc(Cl)c1Cl ZINC001592341099 1094081152 /nfs/dbraw/zinc/08/11/52/1094081152.db2.gz QQEVJOLWDJRRTD-UHFFFAOYSA-N -1 3 348.197 2.793 20 30 EFEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCc1cccc(Cl)c1Cl ZINC001592341099 1094081157 /nfs/dbraw/zinc/08/11/57/1094081157.db2.gz QQEVJOLWDJRRTD-UHFFFAOYSA-N -1 3 348.197 2.793 20 30 EFEDHM Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001592353139 1094085907 /nfs/dbraw/zinc/08/59/07/1094085907.db2.gz FUBNWWPFCKXDKY-UHFFFAOYSA-N -1 3 347.382 2.818 20 30 EFEDHM Cc1nc(C(C)C)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001592353139 1094085913 /nfs/dbraw/zinc/08/59/13/1094085913.db2.gz FUBNWWPFCKXDKY-UHFFFAOYSA-N -1 3 347.382 2.818 20 30 EFEDHM Cc1nc(C)c(C#N)c(S[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC001592353234 1094086134 /nfs/dbraw/zinc/08/61/34/1094086134.db2.gz KDUOSPKXFXGSNF-JTQLQIEISA-N -1 3 337.412 2.999 20 30 EFEDHM Cc1nc(C)c(C#N)c(S[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001592353234 1094086141 /nfs/dbraw/zinc/08/61/41/1094086141.db2.gz KDUOSPKXFXGSNF-JTQLQIEISA-N -1 3 337.412 2.999 20 30 EFEDHM Cc1nn(C(C)C)cc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001592428986 1094105196 /nfs/dbraw/zinc/10/51/96/1094105196.db2.gz CKHFDUVYIGDYRK-NTUHNPAUSA-N -1 3 349.398 2.560 20 30 EFEDHM Cc1nn(C(C)C)cc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001592428986 1094105199 /nfs/dbraw/zinc/10/51/99/1094105199.db2.gz CKHFDUVYIGDYRK-NTUHNPAUSA-N -1 3 349.398 2.560 20 30 EFEDHM Cc1nnc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c(C#N)c1C ZINC001592449688 1094105781 /nfs/dbraw/zinc/10/57/81/1094105781.db2.gz PEEPPHBSOAHOAJ-UHFFFAOYSA-N -1 3 327.735 2.591 20 30 EFEDHM Cc1nnc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c(C#N)c1C ZINC001592449688 1094105785 /nfs/dbraw/zinc/10/57/85/1094105785.db2.gz PEEPPHBSOAHOAJ-UHFFFAOYSA-N -1 3 327.735 2.591 20 30 EFEDHM Cc1sc(NC(=O)c2cc(C#N)ccc2F)c(-c2nnn[n-]2)c1C ZINC001592521441 1094119122 /nfs/dbraw/zinc/11/91/22/1094119122.db2.gz VDVYEOYXUXIWDT-UHFFFAOYSA-N -1 3 342.359 2.808 20 30 EFEDHM Cc1sc(NC(=O)c2cc(C#N)ccc2F)c(-c2nn[n-]n2)c1C ZINC001592521441 1094119124 /nfs/dbraw/zinc/11/91/24/1094119124.db2.gz VDVYEOYXUXIWDT-UHFFFAOYSA-N -1 3 342.359 2.808 20 30 EFEDHM Clc1cc(NN=Cc2ccnn2C2CCC2)ccc1-c1nnn[n-]1 ZINC001592526470 1094123149 /nfs/dbraw/zinc/12/31/49/1094123149.db2.gz AYPIZBZPDZONMM-UHFFFAOYSA-N -1 3 342.794 2.888 20 30 EFEDHM Clc1cc(NN=Cc2ccnn2C2CCC2)ccc1-c1nn[n-]n1 ZINC001592526470 1094123153 /nfs/dbraw/zinc/12/31/53/1094123153.db2.gz AYPIZBZPDZONMM-UHFFFAOYSA-N -1 3 342.794 2.888 20 30 EFEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1C=NO[C@@H]1CCCCO1 ZINC001592617668 1094139728 /nfs/dbraw/zinc/13/97/28/1094139728.db2.gz AKUKEIPYJRGJRX-GFCCVEGCSA-N -1 3 341.293 2.763 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1C=NO[C@@H]1CCCCO1 ZINC001592617668 1094139730 /nfs/dbraw/zinc/13/97/30/1094139730.db2.gz AKUKEIPYJRGJRX-GFCCVEGCSA-N -1 3 341.293 2.763 20 30 EFEDHM FC(F)(F)c1cc(NN=Cc2nccs2)ccc1-c1nnn[n-]1 ZINC001592619459 1094141877 /nfs/dbraw/zinc/14/18/77/1094141877.db2.gz QTTGSMWKUOHHEV-UHFFFAOYSA-N -1 3 339.306 2.788 20 30 EFEDHM FC(F)(F)c1cc(NN=Cc2nccs2)ccc1-c1nn[n-]n1 ZINC001592619459 1094141882 /nfs/dbraw/zinc/14/18/82/1094141882.db2.gz QTTGSMWKUOHHEV-UHFFFAOYSA-N -1 3 339.306 2.788 20 30 EFEDHM Fc1cc(-c2nnn[n-]2)cc(F)c1C=NNCCCc1ccccc1 ZINC001592634940 1094152555 /nfs/dbraw/zinc/15/25/55/1094152555.db2.gz LWHLHJAZMAGHJN-UHFFFAOYSA-N -1 3 342.353 2.701 20 30 EFEDHM Fc1cc(-c2nn[n-]n2)cc(F)c1C=NNCCCc1ccccc1 ZINC001592634940 1094152557 /nfs/dbraw/zinc/15/25/57/1094152557.db2.gz LWHLHJAZMAGHJN-UHFFFAOYSA-N -1 3 342.353 2.701 20 30 EFEDHM N#CC1(CNc2cccc(Br)c2-c2nnn[n-]2)CCC1 ZINC001592669119 1094172967 /nfs/dbraw/zinc/17/29/67/1094172967.db2.gz FUADCSOLXVKCCU-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CC1(CNc2cccc(Br)c2-c2nn[n-]n2)CCC1 ZINC001592669119 1094172970 /nfs/dbraw/zinc/17/29/70/1094172970.db2.gz FUADCSOLXVKCCU-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CC1(CNc2ccc(-c3nnn[n-]3)c(Br)c2)CCC1 ZINC001592670097 1094173566 /nfs/dbraw/zinc/17/35/66/1094173566.db2.gz SSLYVUXBPPBSAD-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CC1(CNc2ccc(-c3nn[n-]n3)c(Br)c2)CCC1 ZINC001592670097 1094173569 /nfs/dbraw/zinc/17/35/69/1094173569.db2.gz SSLYVUXBPPBSAD-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CC1(CNc2ccc(-c3nn[n-]n3)cc2Br)CCC1 ZINC001592669908 1094173606 /nfs/dbraw/zinc/17/36/06/1094173606.db2.gz ORQJILCLIVPFOO-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CCC1(CNc2cccc(-c3nnn[n-]3)c2Br)CC1 ZINC001592675174 1094174432 /nfs/dbraw/zinc/17/44/32/1094174432.db2.gz NWYSCSBCGVGSSD-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CCC1(CNc2cccc(-c3nn[n-]n3)c2Br)CC1 ZINC001592675174 1094174438 /nfs/dbraw/zinc/17/44/38/1094174438.db2.gz NWYSCSBCGVGSSD-UHFFFAOYSA-N -1 3 333.193 2.735 20 30 EFEDHM N#CC1(CSCc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCC1 ZINC001592670626 1094174797 /nfs/dbraw/zinc/17/47/97/1094174797.db2.gz IOKHTPGOXLATOY-UHFFFAOYSA-N -1 3 330.373 2.702 20 30 EFEDHM N#CC1(CSCc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCC1 ZINC001592670626 1094174800 /nfs/dbraw/zinc/17/48/00/1094174800.db2.gz IOKHTPGOXLATOY-UHFFFAOYSA-N -1 3 330.373 2.702 20 30 EFEDHM N#CCCCCNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001592675595 1094174914 /nfs/dbraw/zinc/17/49/14/1094174914.db2.gz XEINBEQJCXXMEW-UHFFFAOYSA-N -1 3 325.376 2.559 20 30 EFEDHM N#CCCCCNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001592675595 1094174917 /nfs/dbraw/zinc/17/49/17/1094174917.db2.gz XEINBEQJCXXMEW-UHFFFAOYSA-N -1 3 325.376 2.559 20 30 EFEDHM N#CCCCCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592675080 1094175068 /nfs/dbraw/zinc/17/50/68/1094175068.db2.gz QHVHOAAOAMFUOD-UHFFFAOYSA-N -1 3 336.399 2.566 20 30 EFEDHM N#CCCCCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592675080 1094175074 /nfs/dbraw/zinc/17/50/74/1094175074.db2.gz QHVHOAAOAMFUOD-UHFFFAOYSA-N -1 3 336.399 2.566 20 30 EFEDHM N#CCC1CCN(c2cccc(Br)c2-c2nnn[n-]2)CC1 ZINC001592673343 1094175506 /nfs/dbraw/zinc/17/55/06/1094175506.db2.gz DRYVWKFSSGLYRU-UHFFFAOYSA-N -1 3 347.220 2.759 20 30 EFEDHM N#CCC1CCN(c2cccc(Br)c2-c2nn[n-]n2)CC1 ZINC001592673343 1094175509 /nfs/dbraw/zinc/17/55/09/1094175509.db2.gz DRYVWKFSSGLYRU-UHFFFAOYSA-N -1 3 347.220 2.759 20 30 EFEDHM N#CCc1cccc2c1CCN(Cc1ccc(-c3nnn[n-]3)c(F)c1)C2 ZINC001592680760 1094176088 /nfs/dbraw/zinc/17/60/88/1094176088.db2.gz HTLZIDQCGCIROL-UHFFFAOYSA-N -1 3 348.385 2.630 20 30 EFEDHM N#Cc1c2ccccc2[nH]c1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001592684519 1094176134 /nfs/dbraw/zinc/17/61/34/1094176134.db2.gz VSLDDJIQMYUWRK-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#Cc1c2ccccc2[nH]c1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001592684519 1094176139 /nfs/dbraw/zinc/17/61/39/1094176139.db2.gz VSLDDJIQMYUWRK-UHFFFAOYSA-N -1 3 347.313 2.611 20 30 EFEDHM N#CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1 ZINC001592677751 1094176208 /nfs/dbraw/zinc/17/62/08/1094176208.db2.gz RMMXVXBFZFKQRJ-UHFFFAOYSA-N -1 3 344.787 2.752 20 30 EFEDHM N#CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1 ZINC001592677751 1094176211 /nfs/dbraw/zinc/17/62/11/1094176211.db2.gz RMMXVXBFZFKQRJ-UHFFFAOYSA-N -1 3 344.787 2.752 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC001592681379 1094176227 /nfs/dbraw/zinc/17/62/27/1094176227.db2.gz STJGZMFVJFZWBH-GXSJLCMTSA-N -1 3 339.790 2.594 20 30 EFEDHM N#C[C@H]1CC[C@@H](Nc2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC001592681379 1094176230 /nfs/dbraw/zinc/17/62/30/1094176230.db2.gz STJGZMFVJFZWBH-GXSJLCMTSA-N -1 3 339.790 2.594 20 30 EFEDHM N#CCN(C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC001592677872 1094176274 /nfs/dbraw/zinc/17/62/74/1094176274.db2.gz VSNZVLOQRGHLMX-UHFFFAOYSA-N -1 3 338.758 2.690 20 30 EFEDHM N#CCN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC001592677872 1094176277 /nfs/dbraw/zinc/17/62/77/1094176277.db2.gz VSNZVLOQRGHLMX-UHFFFAOYSA-N -1 3 338.758 2.690 20 30 EFEDHM N#Cc1c(CSc2cc(-c3nnn[n-]3)ccn2)cn2ccccc12 ZINC001592684537 1094176375 /nfs/dbraw/zinc/17/63/75/1094176375.db2.gz XEPROXZLLZNTLF-UHFFFAOYSA-N -1 3 333.380 2.678 20 30 EFEDHM N#Cc1c(CSc2cc(-c3nn[n-]n3)ccn2)cn2ccccc12 ZINC001592684537 1094176376 /nfs/dbraw/zinc/17/63/76/1094176376.db2.gz XEPROXZLLZNTLF-UHFFFAOYSA-N -1 3 333.380 2.678 20 30 EFEDHM N#CCCNc1c(-c2nnn[n-]2)cnc2c(Br)cccc21 ZINC001592678395 1094176455 /nfs/dbraw/zinc/17/64/55/1094176455.db2.gz UTYVLGUFMPUYLB-UHFFFAOYSA-N -1 3 344.176 2.503 20 30 EFEDHM N#CCCNc1c(-c2nn[n-]n2)cnc2c(Br)cccc21 ZINC001592678395 1094176456 /nfs/dbraw/zinc/17/64/56/1094176456.db2.gz UTYVLGUFMPUYLB-UHFFFAOYSA-N -1 3 344.176 2.503 20 30 EFEDHM N#Cc1c(N2CC=CCC2)nc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC001592685882 1094176757 /nfs/dbraw/zinc/17/67/57/1094176757.db2.gz BZXPTDRSQBNBQF-UHFFFAOYSA-N -1 3 335.415 2.559 20 30 EFEDHM N#Cc1c(N2CC=CCC2)nc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC001592685882 1094176760 /nfs/dbraw/zinc/17/67/60/1094176760.db2.gz BZXPTDRSQBNBQF-UHFFFAOYSA-N -1 3 335.415 2.559 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2CCCC(F)(F)C2)ccc1-c1nnn[n-]1 ZINC001592689311 1094177282 /nfs/dbraw/zinc/17/72/82/1094177282.db2.gz SSJYVQRSCCIFHO-SECBINFHSA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H]2CCCC(F)(F)C2)ccc1-c1nn[n-]n1 ZINC001592689311 1094177283 /nfs/dbraw/zinc/17/72/83/1094177283.db2.gz SSJYVQRSCCIFHO-SECBINFHSA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H](F)CC2CCCCC2)ccc1-c1nnn[n-]1 ZINC001592689501 1094178001 /nfs/dbraw/zinc/17/80/01/1094178001.db2.gz HSURAUHZDBEPIO-HNNXBMFYSA-N -1 3 342.378 2.985 20 30 EFEDHM N#Cc1cc(NC(=O)[C@@H](F)CC2CCCCC2)ccc1-c1nn[n-]n1 ZINC001592689501 1094178005 /nfs/dbraw/zinc/17/80/05/1094178005.db2.gz HSURAUHZDBEPIO-HNNXBMFYSA-N -1 3 342.378 2.985 20 30 EFEDHM N#Cc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)c1 ZINC001592693440 1094178376 /nfs/dbraw/zinc/17/83/76/1094178376.db2.gz CMNLSLRIGRLKCF-UONOGXRCSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1ccc(F)c(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)c1 ZINC001592693440 1094178380 /nfs/dbraw/zinc/17/83/80/1094178380.db2.gz CMNLSLRIGRLKCF-UONOGXRCSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1ccc(F)c(NC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001592693417 1094178487 /nfs/dbraw/zinc/17/84/87/1094178487.db2.gz BJHVFYGKXVBPDD-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(F)c(NC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001592693417 1094178491 /nfs/dbraw/zinc/17/84/91/1094178491.db2.gz BJHVFYGKXVBPDD-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H](F)CC2CCCCC2)cc1-c1nnn[n-]1 ZINC001592695027 1094179209 /nfs/dbraw/zinc/17/92/09/1094179209.db2.gz GBUZPUSCCPPYPI-OAHLLOKOSA-N -1 3 342.378 2.985 20 30 EFEDHM N#Cc1ccc(NC(=O)[C@H](F)CC2CCCCC2)cc1-c1nn[n-]n1 ZINC001592695027 1094179213 /nfs/dbraw/zinc/17/92/13/1094179213.db2.gz GBUZPUSCCPPYPI-OAHLLOKOSA-N -1 3 342.378 2.985 20 30 EFEDHM N#Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001592691400 1094179260 /nfs/dbraw/zinc/17/92/60/1094179260.db2.gz UDDVOGRLIFEODE-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001592691400 1094179265 /nfs/dbraw/zinc/17/92/65/1094179265.db2.gz UDDVOGRLIFEODE-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(COC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC001592694501 1094179496 /nfs/dbraw/zinc/17/94/96/1094179496.db2.gz WZZAYXPDYIGREI-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(COC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC001592694501 1094179500 /nfs/dbraw/zinc/17/95/00/1094179500.db2.gz WZZAYXPDYIGREI-UHFFFAOYSA-N -1 3 339.742 2.749 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC001592691176 1094179516 /nfs/dbraw/zinc/17/95/16/1094179516.db2.gz LNLWTQDQRKYXRG-UHFFFAOYSA-N -1 3 336.380 2.541 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC001592691176 1094179519 /nfs/dbraw/zinc/17/95/19/1094179519.db2.gz LNLWTQDQRKYXRG-UHFFFAOYSA-N -1 3 336.380 2.541 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592697655 1094179894 /nfs/dbraw/zinc/17/98/94/1094179894.db2.gz MAVIILNDVJJSHB-AWEZNQCLSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592697655 1094179898 /nfs/dbraw/zinc/17/98/98/1094179898.db2.gz MAVIILNDVJJSHB-AWEZNQCLSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC001592695987 1094180127 /nfs/dbraw/zinc/18/01/27/1094180127.db2.gz WUJMGPXRPIVUPY-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001592695987 1094180132 /nfs/dbraw/zinc/18/01/32/1094180132.db2.gz WUJMGPXRPIVUPY-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592697651 1094180163 /nfs/dbraw/zinc/18/01/63/1094180163.db2.gz LVPKLXBSRQBJOH-QGZVFWFLSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592697651 1094180165 /nfs/dbraw/zinc/18/01/65/1094180165.db2.gz LVPKLXBSRQBJOH-QGZVFWFLSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cccc3c2CCCC3)cc1-c1nnn[n-]1 ZINC001592696256 1094180289 /nfs/dbraw/zinc/18/02/89/1094180289.db2.gz TXWZSNRNLGBSTO-UHFFFAOYSA-N -1 3 344.378 2.869 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cccc3c2CCCC3)cc1-c1nn[n-]n1 ZINC001592696256 1094180293 /nfs/dbraw/zinc/18/02/93/1094180293.db2.gz TXWZSNRNLGBSTO-UHFFFAOYSA-N -1 3 344.378 2.869 20 30 EFEDHM N#Cc1cccc(-c2nnc(C=Cc3ccccc3-c3nnn[n-]3)o2)c1 ZINC001592698111 1094180394 /nfs/dbraw/zinc/18/03/94/1094180394.db2.gz ILBKNWRSBHLWOL-CMDGGOBGSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1cccc(-c2nnc(C=Cc3ccccc3-c3nn[n-]n3)o2)c1 ZINC001592698111 1094180398 /nfs/dbraw/zinc/18/03/98/1094180398.db2.gz ILBKNWRSBHLWOL-CMDGGOBGSA-N -1 3 341.334 2.959 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cccc3scnc32)cc1-c1nnn[n-]1 ZINC001592696128 1094180688 /nfs/dbraw/zinc/18/06/88/1094180688.db2.gz JBFFVOLRSHBCGI-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cccc3scnc32)cc1-c1nn[n-]n1 ZINC001592696128 1094180689 /nfs/dbraw/zinc/18/06/89/1094180689.db2.gz JBFFVOLRSHBCGI-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ccc(OCCOc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC001592695911 1094180699 /nfs/dbraw/zinc/18/06/99/1094180699.db2.gz RTFJQNMMXAWVQH-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1ccc(OCCOc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001592695911 1094180701 /nfs/dbraw/zinc/18/07/01/1094180701.db2.gz RTFJQNMMXAWVQH-UHFFFAOYSA-N -1 3 341.758 2.850 20 30 EFEDHM N#Cc1cccc(OCCCN2CCc3c2cccc3-c2nnn[n-]2)c1 ZINC001592700195 1094181406 /nfs/dbraw/zinc/18/14/06/1094181406.db2.gz JIWCQSVDFNBOEK-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(OCCCN2CCc3c2cccc3-c2nn[n-]n2)c1 ZINC001592700195 1094181408 /nfs/dbraw/zinc/18/14/08/1094181408.db2.gz JIWCQSVDFNBOEK-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCCO[C@H](c2ccccc2)C1 ZINC001592699134 1094181810 /nfs/dbraw/zinc/18/18/10/1094181810.db2.gz POIDIVJFHCAGQL-KRWDZBQOSA-N -1 3 346.394 2.706 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCCO[C@H](c2ccccc2)C1 ZINC001592699134 1094181811 /nfs/dbraw/zinc/18/18/11/1094181811.db2.gz POIDIVJFHCAGQL-KRWDZBQOSA-N -1 3 346.394 2.706 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc(C=O)cc1Cl ZINC001592700350 1094181827 /nfs/dbraw/zinc/18/18/27/1094181827.db2.gz FVBVFHYBSWWGQE-UHFFFAOYSA-N -1 3 325.715 2.997 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc(C=O)cc1Cl ZINC001592700350 1094181829 /nfs/dbraw/zinc/18/18/29/1094181829.db2.gz FVBVFHYBSWWGQE-UHFFFAOYSA-N -1 3 325.715 2.997 20 30 EFEDHM N#Cc1csc(C(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)c1 ZINC001592703770 1094182984 /nfs/dbraw/zinc/18/29/84/1094182984.db2.gz AYZPXPZEXPRNRV-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1csc(C(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)c1 ZINC001592703770 1094182989 /nfs/dbraw/zinc/18/29/89/1094182989.db2.gz AYZPXPZEXPRNRV-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001592705840 1094183508 /nfs/dbraw/zinc/18/35/08/1094183508.db2.gz HPUYXHPPPHWZBA-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1cscc1C(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001592705840 1094183511 /nfs/dbraw/zinc/18/35/11/1094183511.db2.gz HPUYXHPPPHWZBA-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1ncn(CCCc2ccc(C(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC001592710268 1094183552 /nfs/dbraw/zinc/18/35/52/1094183552.db2.gz TXLQAUBSEDOVRA-UHFFFAOYSA-N -1 3 347.304 2.586 20 30 EFEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cn2ccccc2n1 ZINC001592791765 1094187781 /nfs/dbraw/zinc/18/77/81/1094187781.db2.gz KQIUTOLZIYNFAV-FNORWQNLSA-N -1 3 334.314 2.550 20 30 EFEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cn2ccccc2n1 ZINC001592791765 1094187783 /nfs/dbraw/zinc/18/77/83/1094187783.db2.gz KQIUTOLZIYNFAV-FNORWQNLSA-N -1 3 334.314 2.550 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC001592791717 1094188033 /nfs/dbraw/zinc/18/80/33/1094188033.db2.gz JVDBYZDWHWSDRR-XQRVVYSFSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC001592791717 1094188037 /nfs/dbraw/zinc/18/80/37/1094188037.db2.gz JVDBYZDWHWSDRR-XQRVVYSFSA-N -1 3 334.335 2.534 20 30 EFEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1cscc1-c1nnn[n-]1 ZINC001593281347 1094263359 /nfs/dbraw/zinc/26/33/59/1094263359.db2.gz VHUDGNJDLNNBGM-UHFFFAOYSA-N -1 3 344.783 2.790 20 30 EFEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1cscc1-c1nn[n-]n1 ZINC001593281347 1094263363 /nfs/dbraw/zinc/26/33/63/1094263363.db2.gz VHUDGNJDLNNBGM-UHFFFAOYSA-N -1 3 344.783 2.790 20 30 EFEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1ccccc1[N+](=O)[O-] ZINC001593380449 1094303181 /nfs/dbraw/zinc/30/31/81/1094303181.db2.gz QBASDEWPLHVNQM-MDWZMJQESA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1ccccc1[N+](=O)[O-] ZINC001593380449 1094303195 /nfs/dbraw/zinc/30/31/95/1094303195.db2.gz QBASDEWPLHVNQM-MDWZMJQESA-N -1 3 333.307 2.597 20 30 EFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2cc(F)ccc21 ZINC001593376572 1094303944 /nfs/dbraw/zinc/30/39/44/1094303944.db2.gz VWMSLMQNBBOCGS-FPYGCLRLSA-N -1 3 328.328 2.726 20 30 EFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)COc2cc(F)ccc21 ZINC001593376572 1094303954 /nfs/dbraw/zinc/30/39/54/1094303954.db2.gz VWMSLMQNBBOCGS-FPYGCLRLSA-N -1 3 328.328 2.726 20 30 EFEDHM Oc1ccccc1C=NCCSCc1ccccc1-c1nnn[n-]1 ZINC001593539723 1094352182 /nfs/dbraw/zinc/35/21/82/1094352182.db2.gz FHEYZFNOLVMPKE-WQRHYEAKSA-N -1 3 339.424 2.925 20 30 EFEDHM Oc1ccccc1C=NCCSCc1ccccc1-c1nn[n-]n1 ZINC001593539723 1094352192 /nfs/dbraw/zinc/35/21/92/1094352192.db2.gz FHEYZFNOLVMPKE-WQRHYEAKSA-N -1 3 339.424 2.925 20 30 EFEDHM N#Cc1cccc(C2(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)CC2)c1 ZINC001596990005 1094558691 /nfs/dbraw/zinc/55/86/91/1094558691.db2.gz ARIUGQXYLQEAJM-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cccc(C2(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)CC2)c1 ZINC001596990005 1094558696 /nfs/dbraw/zinc/55/86/96/1094558696.db2.gz ARIUGQXYLQEAJM-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001087426342 1094781451 /nfs/dbraw/zinc/78/14/51/1094781451.db2.gz XYJGIEACBGKLOI-IAGOWNOFSA-N -1 3 337.423 2.561 20 30 EFEDHM Cc1ccccc1[C@H](C(=O)[O-])N1CCN(c2ccccc2C#N)CC1 ZINC001600567847 1095172295 /nfs/dbraw/zinc/17/22/95/1095172295.db2.gz MPYFLUQMPIOCNN-LJQANCHMSA-N -1 3 335.407 2.815 20 30 EFEDHM Cn1ncc2c1CC(C)(C)CN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001601030429 1095474244 /nfs/dbraw/zinc/47/42/44/1095474244.db2.gz IRTBHPMUDYESLD-QGZVFWFLSA-N -1 3 338.411 2.502 20 30 EFEDHM N#CCc1cccc2c1CCN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001601077482 1095492816 /nfs/dbraw/zinc/49/28/16/1095492816.db2.gz CKTKKOASDVUFBA-LJQANCHMSA-N -1 3 331.375 2.808 20 30 EFEDHM N#Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)ccn1 ZINC001601087316 1095500317 /nfs/dbraw/zinc/50/03/17/1095500317.db2.gz BMMUDCVZOAAVEZ-AWEZNQCLSA-N -1 3 346.184 2.631 20 30 EFEDHM N#Cc1ccc(CN2CCN([C@H](C(=O)[O-])c3ccccc3)CC2)cc1 ZINC001601100986 1095514012 /nfs/dbraw/zinc/51/40/12/1095514012.db2.gz UPTWPLQHPFCESO-IBGZPJMESA-N -1 3 335.407 2.502 20 30 EFEDHM N#Cc1cccc(OCCN2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c1 ZINC001601123674 1095527596 /nfs/dbraw/zinc/52/75/96/1095527596.db2.gz NTLAPSFKCNSQHG-QWHCGFSZSA-N -1 3 342.317 2.522 20 30 EFEDHM N#Cc1ccccc1NC(=O)CCN1CCc2cc(C(=O)[O-])ccc2C1 ZINC001601125162 1095531099 /nfs/dbraw/zinc/53/10/99/1095531099.db2.gz CUXKKRZEECLBNE-UHFFFAOYSA-N -1 3 349.390 2.643 20 30 EFEDHM Cc1cc(N(C)CCCN(C)C(=O)c2ccccc2[O-])c(C#N)cn1 ZINC001112044230 1095697430 /nfs/dbraw/zinc/69/74/30/1095697430.db2.gz JZJYJAXBEGAROK-UHFFFAOYSA-N -1 3 338.411 2.566 20 30 EFEDHM O=C([O-])[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1c1ccc(O)cc1 ZINC001602187422 1096109080 /nfs/dbraw/zinc/10/90/80/1096109080.db2.gz FKARIVSLDDBTAE-RBUKOAKNSA-N -1 3 339.366 2.683 20 30 EFEDHM C#C[C@H](CC)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001602689806 1096351377 /nfs/dbraw/zinc/35/13/77/1096351377.db2.gz LVBKRLFEUSXBNG-CYBMUJFWSA-N -1 3 331.379 2.675 20 30 EFEDHM C#C[C@H](CC)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001602689806 1096351385 /nfs/dbraw/zinc/35/13/85/1096351385.db2.gz LVBKRLFEUSXBNG-CYBMUJFWSA-N -1 3 331.379 2.675 20 30 EFEDHM C#CC[C@@H](NCc1cc(Cl)c(C)cc1Br)C(=O)[O-] ZINC001602694359 1096351404 /nfs/dbraw/zinc/35/14/04/1096351404.db2.gz MDCOZJDANPKOJH-GFCCVEGCSA-N -1 3 330.609 2.977 20 30 EFEDHM C#CC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001602694076 1096352041 /nfs/dbraw/zinc/35/20/41/1096352041.db2.gz GNFTXWMSBRHBBW-QGZVFWFLSA-N -1 3 325.364 2.537 20 30 EFEDHM C#CC[C@@H](CCOC)Nc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001602697751 1096352876 /nfs/dbraw/zinc/35/28/76/1096352876.db2.gz QXWLRKDVRTUSAV-NSHDSACASA-N -1 3 339.321 2.726 20 30 EFEDHM C#CC[C@@H](CCOC)Nc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001602697751 1096352883 /nfs/dbraw/zinc/35/28/83/1096352883.db2.gz QXWLRKDVRTUSAV-NSHDSACASA-N -1 3 339.321 2.726 20 30 EFEDHM C#CCC(C)(C)COC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001602697114 1096353722 /nfs/dbraw/zinc/35/37/22/1096353722.db2.gz SAEILQIINPPAET-UHFFFAOYSA-N -1 3 342.374 2.630 20 30 EFEDHM C#CCC(C)(C)COC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001602697114 1096353727 /nfs/dbraw/zinc/35/37/27/1096353727.db2.gz SAEILQIINPPAET-UHFFFAOYSA-N -1 3 342.374 2.630 20 30 EFEDHM C#CCCCC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001602706244 1096355450 /nfs/dbraw/zinc/35/54/50/1096355450.db2.gz ODAUWFJBSPJVOQ-UHFFFAOYSA-N -1 3 339.277 2.507 20 30 EFEDHM C#CCCCC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001602706244 1096355454 /nfs/dbraw/zinc/35/54/54/1096355454.db2.gz ODAUWFJBSPJVOQ-UHFFFAOYSA-N -1 3 339.277 2.507 20 30 EFEDHM C#CCCOc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001602714350 1096357393 /nfs/dbraw/zinc/35/73/93/1096357393.db2.gz OXOUAAZXLGBUSC-UHFFFAOYSA-N -1 3 332.367 2.715 20 30 EFEDHM C#Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC001602735467 1096357927 /nfs/dbraw/zinc/35/79/27/1096357927.db2.gz HBQNTDWIMWQDQG-UHFFFAOYSA-N -1 3 343.390 2.653 20 30 EFEDHM C#Cc1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC001602735467 1096357930 /nfs/dbraw/zinc/35/79/30/1096357930.db2.gz HBQNTDWIMWQDQG-UHFFFAOYSA-N -1 3 343.390 2.653 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001602741281 1096359571 /nfs/dbraw/zinc/35/95/71/1096359571.db2.gz CVOBAJYDFSGJJZ-QGZVFWFLSA-N -1 3 344.378 2.657 20 30 EFEDHM C#Cc1cccc(NC(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001602741281 1096359579 /nfs/dbraw/zinc/35/95/79/1096359579.db2.gz CVOBAJYDFSGJJZ-QGZVFWFLSA-N -1 3 344.378 2.657 20 30 EFEDHM C#Cc1cccc(N(C)C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c1 ZINC001602741748 1096359849 /nfs/dbraw/zinc/35/98/49/1096359849.db2.gz YVOBWOFEDQRETJ-UHFFFAOYSA-N -1 3 342.362 2.606 20 30 EFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OCC2CC2)cc1 ZINC001602745703 1096360854 /nfs/dbraw/zinc/36/08/54/1096360854.db2.gz PFZNCRXVHDXANS-UHFFFAOYSA-N -1 3 348.410 2.779 20 30 EFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC2CC2)cc1 ZINC001602745703 1096360859 /nfs/dbraw/zinc/36/08/59/1096360859.db2.gz PFZNCRXVHDXANS-UHFFFAOYSA-N -1 3 348.410 2.779 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001602752300 1096362795 /nfs/dbraw/zinc/36/27/95/1096362795.db2.gz AOTLGQFWBQUPLO-GXFFZTMASA-N -1 3 342.428 2.870 20 30 EFEDHM C=C(C)[C@H]1OCC[C@H]1CNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001602752300 1096362807 /nfs/dbraw/zinc/36/28/07/1096362807.db2.gz AOTLGQFWBQUPLO-GXFFZTMASA-N -1 3 342.428 2.870 20 30 EFEDHM C=C(C)CCNC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602758132 1096365195 /nfs/dbraw/zinc/36/51/95/1096365195.db2.gz BDGIJQPHONFQQV-UHFFFAOYSA-N -1 3 340.431 2.722 20 30 EFEDHM C=C(C)CCNC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602758132 1096365202 /nfs/dbraw/zinc/36/52/02/1096365202.db2.gz BDGIJQPHONFQQV-UHFFFAOYSA-N -1 3 340.431 2.722 20 30 EFEDHM C=C(C)CNC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001602763223 1096366277 /nfs/dbraw/zinc/36/62/77/1096366277.db2.gz ZBSCTJGUNDGYFL-UHFFFAOYSA-N -1 3 330.461 2.528 20 30 EFEDHM C=C(C)CNC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001602763223 1096366281 /nfs/dbraw/zinc/36/62/81/1096366281.db2.gz ZBSCTJGUNDGYFL-UHFFFAOYSA-N -1 3 330.461 2.528 20 30 EFEDHM C=C(C)COCCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001602763635 1096366377 /nfs/dbraw/zinc/36/63/77/1096366377.db2.gz VSGFBIQHWQJJIL-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=C(C)COCCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001602763635 1096366382 /nfs/dbraw/zinc/36/63/82/1096366382.db2.gz VSGFBIQHWQJJIL-UHFFFAOYSA-N -1 3 327.310 2.890 20 30 EFEDHM C=C(CNC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)c1ccccc1 ZINC001602767109 1096367138 /nfs/dbraw/zinc/36/71/38/1096367138.db2.gz ACLFQQQIEHARRQ-UHFFFAOYSA-N -1 3 344.378 2.791 20 30 EFEDHM C=C1CC(c2noc(-c3cnc(C(F)(F)F)c(-c4nnn[n-]4)c3)n2)C1 ZINC001602773303 1096367333 /nfs/dbraw/zinc/36/73/33/1096367333.db2.gz UDOBXUOBUVNMBD-UHFFFAOYSA-N -1 3 349.276 2.764 20 30 EFEDHM C=C(CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001602767739 1096367390 /nfs/dbraw/zinc/36/73/90/1096367390.db2.gz MHJHIHDXZHVJTM-UHFFFAOYSA-N -1 3 348.410 2.722 20 30 EFEDHM C=C(CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001602767739 1096367399 /nfs/dbraw/zinc/36/73/99/1096367399.db2.gz MHJHIHDXZHVJTM-UHFFFAOYSA-N -1 3 348.410 2.722 20 30 EFEDHM C=C(C)c1cccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001602770437 1096367821 /nfs/dbraw/zinc/36/78/21/1096367821.db2.gz ZPHXTEWDTGDZGS-INIZCTEOSA-N -1 3 335.367 2.572 20 30 EFEDHM C=C(C)c1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001602770437 1096367830 /nfs/dbraw/zinc/36/78/30/1096367830.db2.gz ZPHXTEWDTGDZGS-INIZCTEOSA-N -1 3 335.367 2.572 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602772966 1096368026 /nfs/dbraw/zinc/36/80/26/1096368026.db2.gz GZHHYHHCRVDSEK-IYBDPMFKSA-N -1 3 337.427 2.854 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602772966 1096368032 /nfs/dbraw/zinc/36/80/32/1096368032.db2.gz GZHHYHHCRVDSEK-IYBDPMFKSA-N -1 3 337.427 2.854 20 30 EFEDHM C=C1CCC(CNC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602774976 1096368719 /nfs/dbraw/zinc/36/87/19/1096368719.db2.gz DAMCNQNWGLSIKA-CYBMUJFWSA-N -1 3 340.431 2.973 20 30 EFEDHM C=C1CCC(CNC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602774976 1096368728 /nfs/dbraw/zinc/36/87/28/1096368728.db2.gz DAMCNQNWGLSIKA-CYBMUJFWSA-N -1 3 340.431 2.973 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602786608 1096370575 /nfs/dbraw/zinc/37/05/75/1096370575.db2.gz AEXUCIOLRXDYRH-ZDUSSCGKSA-N -1 3 343.431 2.743 20 30 EFEDHM C=CC(C)(C)CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602786942 1096370715 /nfs/dbraw/zinc/37/07/15/1096370715.db2.gz REXVJNRZDUPVAO-UHFFFAOYSA-N -1 3 330.392 2.599 20 30 EFEDHM C=CC(C)(C)CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602786942 1096370720 /nfs/dbraw/zinc/37/07/20/1096370720.db2.gz REXVJNRZDUPVAO-UHFFFAOYSA-N -1 3 330.392 2.599 20 30 EFEDHM C=CC(C)(C)CCNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602786719 1096370972 /nfs/dbraw/zinc/37/09/72/1096370972.db2.gz FZHOEZTZYXDYBL-UHFFFAOYSA-N -1 3 325.416 2.617 20 30 EFEDHM C=CC(C)(C)CCNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602786719 1096370980 /nfs/dbraw/zinc/37/09/80/1096370980.db2.gz FZHOEZTZYXDYBL-UHFFFAOYSA-N -1 3 325.416 2.617 20 30 EFEDHM C=C[C@@H]1CCCCN1c1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001602808033 1096373087 /nfs/dbraw/zinc/37/30/87/1096373087.db2.gz WBXBXIRDAKKZCP-CQSZACIVSA-N -1 3 349.398 2.994 20 30 EFEDHM C=C[C@@H]1CCCCN1c1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001602808033 1096373093 /nfs/dbraw/zinc/37/30/93/1096373093.db2.gz WBXBXIRDAKKZCP-CQSZACIVSA-N -1 3 349.398 2.994 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001602803163 1096373624 /nfs/dbraw/zinc/37/36/24/1096373624.db2.gz ICZBSORLMRINRX-JTQLQIEISA-N -1 3 346.366 2.587 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001602803163 1096373630 /nfs/dbraw/zinc/37/36/30/1096373630.db2.gz ICZBSORLMRINRX-JTQLQIEISA-N -1 3 346.366 2.587 20 30 EFEDHM C=CCC(C)(C)CNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602809665 1096374740 /nfs/dbraw/zinc/37/47/40/1096374740.db2.gz VPMUZYAEYIOAJM-UHFFFAOYSA-N -1 3 325.416 2.617 20 30 EFEDHM C=CCC(C)(C)CNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602809665 1096374747 /nfs/dbraw/zinc/37/47/47/1096374747.db2.gz VPMUZYAEYIOAJM-UHFFFAOYSA-N -1 3 325.416 2.617 20 30 EFEDHM C=CCC1(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CCCC1 ZINC001602818778 1096374887 /nfs/dbraw/zinc/37/48/87/1096374887.db2.gz WCJZRVZLAVGTSA-UHFFFAOYSA-N -1 3 327.388 2.950 20 30 EFEDHM C=CCC1(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CCCC1 ZINC001602818778 1096374892 /nfs/dbraw/zinc/37/48/92/1096374892.db2.gz WCJZRVZLAVGTSA-UHFFFAOYSA-N -1 3 327.388 2.950 20 30 EFEDHM C=CCC1(NC(=O)c2ccc(-c3nnn[n-]3)cc2OC)CCCCC1 ZINC001602818286 1096375349 /nfs/dbraw/zinc/37/53/49/1096375349.db2.gz KSHBSMSLCKGZGB-UHFFFAOYSA-N -1 3 341.415 2.884 20 30 EFEDHM C=CCC1(NC(=O)c2ccc(-c3nn[n-]n3)cc2OC)CCCCC1 ZINC001602818286 1096375357 /nfs/dbraw/zinc/37/53/57/1096375357.db2.gz KSHBSMSLCKGZGB-UHFFFAOYSA-N -1 3 341.415 2.884 20 30 EFEDHM C=CCC(C)(C)C(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001602808952 1096375657 /nfs/dbraw/zinc/37/56/57/1096375657.db2.gz PHYHLVSJERYUIK-UHFFFAOYSA-N -1 3 331.445 2.807 20 30 EFEDHM C=CCC(C)(C)C(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001602808952 1096375667 /nfs/dbraw/zinc/37/56/67/1096375667.db2.gz PHYHLVSJERYUIK-UHFFFAOYSA-N -1 3 331.445 2.807 20 30 EFEDHM C=CCC(C)(C)CNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001602809897 1096375798 /nfs/dbraw/zinc/37/57/98/1096375798.db2.gz XQVSAGKRXFXIHO-UHFFFAOYSA-N -1 3 336.346 2.869 20 30 EFEDHM C=CCC(C)(C)CNC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001602809897 1096375802 /nfs/dbraw/zinc/37/58/02/1096375802.db2.gz XQVSAGKRXFXIHO-UHFFFAOYSA-N -1 3 336.346 2.869 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602808912 1096376177 /nfs/dbraw/zinc/37/61/77/1096376177.db2.gz OASJFDPTOMUDCY-GFCCVEGCSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CCC(C)(C)CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602808912 1096376183 /nfs/dbraw/zinc/37/61/83/1096376183.db2.gz OASJFDPTOMUDCY-GFCCVEGCSA-N -1 3 328.420 2.829 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602822778 1096378379 /nfs/dbraw/zinc/37/83/79/1096378379.db2.gz FQOSFNXLXFIIHD-ZIAGYGMSSA-N -1 3 340.431 2.925 20 30 EFEDHM C=CC[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602822778 1096378388 /nfs/dbraw/zinc/37/83/88/1096378388.db2.gz FQOSFNXLXFIIHD-ZIAGYGMSSA-N -1 3 340.431 2.925 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602825280 1096378401 /nfs/dbraw/zinc/37/84/01/1096378401.db2.gz WVIXQHVHUHOUSM-ZDUSSCGKSA-N -1 3 343.456 2.525 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602825280 1096378408 /nfs/dbraw/zinc/37/84/08/1096378408.db2.gz WVIXQHVHUHOUSM-ZDUSSCGKSA-N -1 3 343.456 2.525 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001602834302 1096379831 /nfs/dbraw/zinc/37/98/31/1096379831.db2.gz OPKGAKNCVXDSJS-AWEZNQCLSA-N -1 3 342.447 2.795 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001602834302 1096379840 /nfs/dbraw/zinc/37/98/40/1096379840.db2.gz OPKGAKNCVXDSJS-AWEZNQCLSA-N -1 3 342.447 2.795 20 30 EFEDHM C=CCCCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC ZINC001602840424 1096381251 /nfs/dbraw/zinc/38/12/51/1096381251.db2.gz ZVGTULZGNWGUHY-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=CCCCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC ZINC001602840424 1096381260 /nfs/dbraw/zinc/38/12/60/1096381260.db2.gz ZVGTULZGNWGUHY-UHFFFAOYSA-N -1 3 338.419 2.548 20 30 EFEDHM C=CCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001602837692 1096381348 /nfs/dbraw/zinc/38/13/48/1096381348.db2.gz DYWIXPLOSCVVCI-UHFFFAOYSA-N -1 3 334.811 2.734 20 30 EFEDHM C=CCCn1cc(CSCc2cccc(-c3nnn[n-]3)c2F)nn1 ZINC001602846944 1096382727 /nfs/dbraw/zinc/38/27/27/1096382727.db2.gz CRRAQRCTQSYGJQ-UHFFFAOYSA-N -1 3 345.407 2.607 20 30 EFEDHM C=CCCn1cc(CSCc2cccc(-c3nn[n-]n3)c2F)nn1 ZINC001602846944 1096382732 /nfs/dbraw/zinc/38/27/32/1096382732.db2.gz CRRAQRCTQSYGJQ-UHFFFAOYSA-N -1 3 345.407 2.607 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC[C@H](C)C1 ZINC001602856247 1096385893 /nfs/dbraw/zinc/38/58/93/1096385893.db2.gz ALHAKFNJOPWGPC-BBRMVZONSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[C@H](C)C1 ZINC001602856247 1096385898 /nfs/dbraw/zinc/38/58/98/1096385898.db2.gz ALHAKFNJOPWGPC-BBRMVZONSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(OC)c1 ZINC001602858545 1096388097 /nfs/dbraw/zinc/38/80/97/1096388097.db2.gz UBXRGDHABGRXNH-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(OC)c1 ZINC001602858545 1096388106 /nfs/dbraw/zinc/38/81/06/1096388106.db2.gz UBXRGDHABGRXNH-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NOC[C@@H](C)CC ZINC001602856497 1096388143 /nfs/dbraw/zinc/38/81/43/1096388143.db2.gz MCDYCQQTDJLFBJ-ZDUSSCGKSA-N -1 3 344.419 2.542 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NOC[C@@H](C)CC ZINC001602856497 1096388151 /nfs/dbraw/zinc/38/81/51/1096388151.db2.gz MCDYCQQTDJLFBJ-ZDUSSCGKSA-N -1 3 344.419 2.542 20 30 EFEDHM C=CCOc1ccccc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001602869425 1096388790 /nfs/dbraw/zinc/38/87/90/1096388790.db2.gz CAFLHCVJYLDVKU-UHFFFAOYSA-N -1 3 332.367 2.915 20 30 EFEDHM C=CCOc1ccccc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001602869425 1096388800 /nfs/dbraw/zinc/38/88/00/1096388800.db2.gz CAFLHCVJYLDVKU-UHFFFAOYSA-N -1 3 332.367 2.915 20 30 EFEDHM C=CCc1cc(C=Cc2ccncc2-c2nnn[n-]2)cc(OC)c1O ZINC001602875453 1096391816 /nfs/dbraw/zinc/39/18/16/1096391816.db2.gz DXNRDSNJBWNWJN-AATRIKPKSA-N -1 3 335.367 2.875 20 30 EFEDHM C=CCc1cc(C=Cc2ccncc2-c2nn[n-]n2)cc(OC)c1O ZINC001602875453 1096391824 /nfs/dbraw/zinc/39/18/24/1096391824.db2.gz DXNRDSNJBWNWJN-AATRIKPKSA-N -1 3 335.367 2.875 20 30 EFEDHM CC#CCCCC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2 ZINC001602894130 1096393105 /nfs/dbraw/zinc/39/31/05/1096393105.db2.gz QFEJPHGEWBETHH-GFCCVEGCSA-N -1 3 338.415 2.519 20 30 EFEDHM CC#CCCCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2 ZINC001602894130 1096393116 /nfs/dbraw/zinc/39/31/16/1096393116.db2.gz QFEJPHGEWBETHH-GFCCVEGCSA-N -1 3 338.415 2.519 20 30 EFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C)c([N+](=O)[O-])c1 ZINC001602908174 1096397468 /nfs/dbraw/zinc/39/74/68/1096397468.db2.gz OUFWJJFSEFZYLD-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C)c([N+](=O)[O-])c1 ZINC001602908174 1096397474 /nfs/dbraw/zinc/39/74/74/1096397474.db2.gz OUFWJJFSEFZYLD-UHFFFAOYSA-N -1 3 337.343 2.919 20 30 EFEDHM CC(=O)Nc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1C ZINC001602952293 1096406196 /nfs/dbraw/zinc/40/61/96/1096406196.db2.gz DCXPQHGMOQBFBG-UHFFFAOYSA-N -1 3 333.355 2.749 20 30 EFEDHM CC(=O)Nc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1C ZINC001602952293 1096406199 /nfs/dbraw/zinc/40/61/99/1096406199.db2.gz DCXPQHGMOQBFBG-UHFFFAOYSA-N -1 3 333.355 2.749 20 30 EFEDHM CC(C)(C(=O)O[C@H]1CC[C@H](C#N)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603048352 1096425352 /nfs/dbraw/zinc/42/53/52/1096425352.db2.gz GIOQCIZCLADCGC-HZMBPMFUSA-N -1 3 343.362 2.519 20 30 EFEDHM CC(C)(C(=O)O[C@H]1CC[C@H](C#N)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603048352 1096425358 /nfs/dbraw/zinc/42/53/58/1096425358.db2.gz GIOQCIZCLADCGC-HZMBPMFUSA-N -1 3 343.362 2.519 20 30 EFEDHM CC(C)(C)C#CCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001603055090 1096427249 /nfs/dbraw/zinc/42/72/49/1096427249.db2.gz OWHWRVQZKUSPFK-UHFFFAOYSA-N -1 3 342.399 2.617 20 30 EFEDHM CC(C)(C)C#CCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001603055090 1096427258 /nfs/dbraw/zinc/42/72/58/1096427258.db2.gz OWHWRVQZKUSPFK-UHFFFAOYSA-N -1 3 342.399 2.617 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C#N)C(C)(C)C ZINC001603576641 1096556672 /nfs/dbraw/zinc/55/66/72/1096556672.db2.gz LKZZTRJYFZXTHT-FZMZJTMJSA-N -1 3 327.388 2.527 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C#N)C(C)(C)C ZINC001603576641 1096556679 /nfs/dbraw/zinc/55/66/79/1096556679.db2.gz LKZZTRJYFZXTHT-FZMZJTMJSA-N -1 3 327.388 2.527 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC#CC(C)(C)C ZINC001603576722 1096557005 /nfs/dbraw/zinc/55/70/05/1096557005.db2.gz AQCZWCQAXBJMQG-ZDUSSCGKSA-N -1 3 326.400 2.638 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC#CC(C)(C)C ZINC001603576722 1096557011 /nfs/dbraw/zinc/55/70/11/1096557011.db2.gz AQCZWCQAXBJMQG-ZDUSSCGKSA-N -1 3 326.400 2.638 20 30 EFEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001603577390 1096557319 /nfs/dbraw/zinc/55/73/19/1096557319.db2.gz HRPJMDGYJQUUMT-INWMFGNUSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001603577390 1096557325 /nfs/dbraw/zinc/55/73/25/1096557325.db2.gz HRPJMDGYJQUUMT-INWMFGNUSA-N -1 3 339.399 2.671 20 30 EFEDHM C[C@H]([NH2+][C@@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1cccc(C#N)c1[O-] ZINC001603655905 1096579750 /nfs/dbraw/zinc/57/97/50/1096579750.db2.gz GCQSMCHGXFPEFW-APPDUMDISA-N -1 3 346.394 2.782 20 30 EFEDHM C[C@H]([NH2+][C@@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1cccc(C#N)c1[O-] ZINC001603655905 1096579755 /nfs/dbraw/zinc/57/97/55/1096579755.db2.gz GCQSMCHGXFPEFW-APPDUMDISA-N -1 3 346.394 2.782 20 30 EFEDHM C[C@@H]([NH2+][C@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1cccc(C#N)c1[O-] ZINC001603655909 1096580434 /nfs/dbraw/zinc/58/04/34/1096580434.db2.gz GCQSMCHGXFPEFW-DIFFPNOSSA-N -1 3 346.394 2.782 20 30 EFEDHM C[C@@H]([NH2+][C@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1cccc(C#N)c1[O-] ZINC001603655909 1096580441 /nfs/dbraw/zinc/58/04/41/1096580441.db2.gz GCQSMCHGXFPEFW-DIFFPNOSSA-N -1 3 346.394 2.782 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001603684037 1096590468 /nfs/dbraw/zinc/59/04/68/1096590468.db2.gz SONXNBOMSVXMLL-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001603684037 1096590470 /nfs/dbraw/zinc/59/04/70/1096590470.db2.gz SONXNBOMSVXMLL-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@@H](OC(=O)c1cscc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001603704708 1096596481 /nfs/dbraw/zinc/59/64/81/1096596481.db2.gz HGGUEHFHQMGOPY-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@@H](OC(=O)c1cscc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001603704708 1096596486 /nfs/dbraw/zinc/59/64/86/1096596486.db2.gz HGGUEHFHQMGOPY-SECBINFHSA-N -1 3 325.353 2.718 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cc1ccc(C#N)cc1 ZINC001603726725 1096603148 /nfs/dbraw/zinc/60/31/48/1096603148.db2.gz ASHXMEOCDAEQMF-CYBMUJFWSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cc1ccc(C#N)cc1 ZINC001603726725 1096603155 /nfs/dbraw/zinc/60/31/55/1096603155.db2.gz ASHXMEOCDAEQMF-CYBMUJFWSA-N -1 3 346.394 2.500 20 30 EFEDHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@](C)(C#N)C2)n1 ZINC001603737921 1096610219 /nfs/dbraw/zinc/61/02/19/1096610219.db2.gz VMKRVKHYJAOFSG-KRWDZBQOSA-N -1 3 325.420 2.689 20 30 EFEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@](C)(C#N)C2)n1 ZINC001603737921 1096610230 /nfs/dbraw/zinc/61/02/30/1096610230.db2.gz VMKRVKHYJAOFSG-KRWDZBQOSA-N -1 3 325.420 2.689 20 30 EFEDHM CC1(CNc2c(C#N)cccc2-c2nnn[n-]2)Cc2ccccc2C1 ZINC001603806885 1096633171 /nfs/dbraw/zinc/63/31/71/1096633171.db2.gz KWCAIAQDLAFTLP-UHFFFAOYSA-N -1 3 330.395 2.955 20 30 EFEDHM CC1(CNc2c(C#N)cccc2-c2nn[n-]n2)Cc2ccccc2C1 ZINC001603806885 1096633178 /nfs/dbraw/zinc/63/31/78/1096633178.db2.gz KWCAIAQDLAFTLP-UHFFFAOYSA-N -1 3 330.395 2.955 20 30 EFEDHM C[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)Cc2ccccc2O1 ZINC001603937518 1096675342 /nfs/dbraw/zinc/67/53/42/1096675342.db2.gz IIHXOJRZYWKSQX-LBPRGKRZSA-N -1 3 332.367 2.526 20 30 EFEDHM C[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)Cc2ccccc2O1 ZINC001603937518 1096675349 /nfs/dbraw/zinc/67/53/49/1096675349.db2.gz IIHXOJRZYWKSQX-LBPRGKRZSA-N -1 3 332.367 2.526 20 30 EFEDHM CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001603978331 1096685530 /nfs/dbraw/zinc/68/55/30/1096685530.db2.gz XTMKITKOBPLVNJ-LLVKDONJSA-N -1 3 349.354 2.542 20 30 EFEDHM CC[C@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001603978331 1096685532 /nfs/dbraw/zinc/68/55/32/1096685532.db2.gz XTMKITKOBPLVNJ-LLVKDONJSA-N -1 3 349.354 2.542 20 30 EFEDHM CCCCCCCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001604176926 1096762986 /nfs/dbraw/zinc/76/29/86/1096762986.db2.gz ZQQVWPZVZUWDJH-UHFFFAOYSA-N -1 3 334.399 2.775 20 30 EFEDHM CCCCCCCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001604176926 1096762993 /nfs/dbraw/zinc/76/29/93/1096762993.db2.gz ZQQVWPZVZUWDJH-UHFFFAOYSA-N -1 3 334.399 2.775 20 30 EFEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CC(C)(C)C#N ZINC001604212589 1096775146 /nfs/dbraw/zinc/77/51/46/1096775146.db2.gz RSRDHIFXSNJDSO-UHFFFAOYSA-N -1 3 326.404 2.545 20 30 EFEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CC(C)(C)C#N ZINC001604212589 1096775154 /nfs/dbraw/zinc/77/51/54/1096775154.db2.gz RSRDHIFXSNJDSO-UHFFFAOYSA-N -1 3 326.404 2.545 20 30 EFEDHM CCN(C(=O)CCCCC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001604257849 1096787668 /nfs/dbraw/zinc/78/76/68/1096787668.db2.gz GJACCWXBYNAVBT-ZDUSSCGKSA-N -1 3 326.404 2.860 20 30 EFEDHM CCN(C(=O)CCCCC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001604257849 1096787673 /nfs/dbraw/zinc/78/76/73/1096787673.db2.gz GJACCWXBYNAVBT-ZDUSSCGKSA-N -1 3 326.404 2.860 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001604510370 1096884469 /nfs/dbraw/zinc/88/44/69/1096884469.db2.gz AZUHYOLAUOSYCM-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001604510370 1096884475 /nfs/dbraw/zinc/88/44/75/1096884475.db2.gz AZUHYOLAUOSYCM-UHFFFAOYSA-N -1 3 333.351 2.828 20 30 EFEDHM CCc1cc(C#N)ccc1OCCOc1ccccc1-c1nnn[n-]1 ZINC001604510745 1096884862 /nfs/dbraw/zinc/88/48/62/1096884862.db2.gz IHUQVPILFQBHCZ-UHFFFAOYSA-N -1 3 335.367 2.759 20 30 EFEDHM CCc1cc(C#N)ccc1OCCOc1ccccc1-c1nn[n-]n1 ZINC001604510745 1096884868 /nfs/dbraw/zinc/88/48/68/1096884868.db2.gz IHUQVPILFQBHCZ-UHFFFAOYSA-N -1 3 335.367 2.759 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1sccc1C#N ZINC001604511397 1096886375 /nfs/dbraw/zinc/88/63/75/1096886375.db2.gz YSWQYINRFUVOHU-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1sccc1C#N ZINC001604511397 1096886381 /nfs/dbraw/zinc/88/63/81/1096886381.db2.gz YSWQYINRFUVOHU-UHFFFAOYSA-N -1 3 325.353 2.581 20 30 EFEDHM CCc1nc2ccccc2n1N=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001604571662 1096905492 /nfs/dbraw/zinc/90/54/92/1096905492.db2.gz YUQSENFHXHHUNO-UHFFFAOYSA-N -1 3 331.383 2.969 20 30 EFEDHM CCc1nc2ccccc2n1N=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001604571662 1096905495 /nfs/dbraw/zinc/90/54/95/1096905495.db2.gz YUQSENFHXHHUNO-UHFFFAOYSA-N -1 3 331.383 2.969 20 30 EFEDHM CN(CC(C)(C)C#N)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC001604712801 1096938353 /nfs/dbraw/zinc/93/83/53/1096938353.db2.gz MPXNBADYHJGDCS-UHFFFAOYSA-N -1 3 343.341 2.679 20 30 EFEDHM CN(CC(C)(C)C#N)c1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC001604712801 1096938357 /nfs/dbraw/zinc/93/83/57/1096938357.db2.gz MPXNBADYHJGDCS-UHFFFAOYSA-N -1 3 343.341 2.679 20 30 EFEDHM C[C@@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001604785629 1096953321 /nfs/dbraw/zinc/95/33/21/1096953321.db2.gz GMJYVIJXTKNGIP-OXQOHEQNSA-N -1 3 349.434 2.890 20 30 EFEDHM C[C@@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001604785630 1096953545 /nfs/dbraw/zinc/95/35/45/1096953545.db2.gz GMJYVIJXTKNGIP-UZLBHIALSA-N -1 3 349.434 2.890 20 30 EFEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1cccc(F)c1C#N ZINC001604801340 1096959845 /nfs/dbraw/zinc/95/98/45/1096959845.db2.gz LFUBMKVIKMRNME-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1cccc(F)c1C#N ZINC001604801340 1096959848 /nfs/dbraw/zinc/95/98/48/1096959848.db2.gz LFUBMKVIKMRNME-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CO[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)C1CCCCC1 ZINC001605008124 1096997991 /nfs/dbraw/zinc/99/79/91/1096997991.db2.gz GAWZOQNYCVSUAY-HNNXBMFYSA-N -1 3 326.404 2.746 20 30 EFEDHM CO[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)C1CCCCC1 ZINC001605008124 1096997995 /nfs/dbraw/zinc/99/79/95/1096997995.db2.gz GAWZOQNYCVSUAY-HNNXBMFYSA-N -1 3 326.404 2.746 20 30 EFEDHM COc1cc(C)cc2c1OCC(=Cc1cccc(-c3nnn[n-]3)c1)C2=O ZINC001605203021 1097049577 /nfs/dbraw/zinc/04/95/77/1097049577.db2.gz PYPMMQJFSXCFCC-ZROIWOOFSA-N -1 3 348.362 2.842 20 30 EFEDHM COc1cc(C)cc2c1OCC(=Cc1cccc(-c3nn[n-]n3)c1)C2=O ZINC001605203021 1097049581 /nfs/dbraw/zinc/04/95/81/1097049581.db2.gz PYPMMQJFSXCFCC-ZROIWOOFSA-N -1 3 348.362 2.842 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605303315 1097088948 /nfs/dbraw/zinc/08/89/48/1097088948.db2.gz NNLYUPUQXRFBMQ-QPJJXVBHSA-N -1 3 336.351 2.785 20 30 EFEDHM COc1ccc(O)cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001605303315 1097088954 /nfs/dbraw/zinc/08/89/54/1097088954.db2.gz NNLYUPUQXRFBMQ-QPJJXVBHSA-N -1 3 336.351 2.785 20 30 EFEDHM COc1cccc(C=N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1O ZINC001605320001 1097095307 /nfs/dbraw/zinc/09/53/07/1097095307.db2.gz XIJWTNCNWITNJU-HNIBHBHRSA-N -1 3 335.367 2.687 20 30 EFEDHM COc1cccc(C=N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1O ZINC001605320001 1097095313 /nfs/dbraw/zinc/09/53/13/1097095313.db2.gz XIJWTNCNWITNJU-HNIBHBHRSA-N -1 3 335.367 2.687 20 30 EFEDHM COc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1F ZINC001605331656 1097099980 /nfs/dbraw/zinc/09/99/80/1097099980.db2.gz JMAMXXXZOZQQOR-UHFFFAOYSA-N -1 3 327.319 2.565 20 30 EFEDHM COc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)cc1F ZINC001605331656 1097099986 /nfs/dbraw/zinc/09/99/86/1097099986.db2.gz JMAMXXXZOZQQOR-UHFFFAOYSA-N -1 3 327.319 2.565 20 30 EFEDHM CSc1ccc(CNc2nc(C)ccc2C#N)cc1-c1nnn[n-]1 ZINC001605387614 1097113985 /nfs/dbraw/zinc/11/39/85/1097113985.db2.gz OJAZYJDJOUXUGA-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM CSc1ccc(CNc2nc(C)ccc2C#N)cc1-c1nn[n-]n1 ZINC001605387614 1097113987 /nfs/dbraw/zinc/11/39/87/1097113987.db2.gz OJAZYJDJOUXUGA-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605589019 1097164100 /nfs/dbraw/zinc/16/41/00/1097164100.db2.gz SBPNPYBWCNKDAC-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605589019 1097164106 /nfs/dbraw/zinc/16/41/06/1097164106.db2.gz SBPNPYBWCNKDAC-UHFFFAOYSA-N -1 3 346.394 2.627 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001605588895 1097164157 /nfs/dbraw/zinc/16/41/57/1097164157.db2.gz MMZNQFWVMGHCNN-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605588895 1097164160 /nfs/dbraw/zinc/16/41/60/1097164160.db2.gz MMZNQFWVMGHCNN-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1cc(C=C2Cc3ccc(C#N)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001605652648 1097180453 /nfs/dbraw/zinc/18/04/53/1097180453.db2.gz PFRXAMLZZGBEOT-CHHVJCJISA-N -1 3 327.347 2.869 20 30 EFEDHM Cc1cc(C=C2Cc3ccc(C#N)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001605652648 1097180456 /nfs/dbraw/zinc/18/04/56/1097180456.db2.gz PFRXAMLZZGBEOT-CHHVJCJISA-N -1 3 327.347 2.869 20 30 EFEDHM Cc1cc(F)ccc1N(CC#N)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001605682927 1097194474 /nfs/dbraw/zinc/19/44/74/1097194474.db2.gz FURLPEIYFCUWPN-UHFFFAOYSA-N -1 3 342.359 2.546 20 30 EFEDHM Cc1cc(F)ccc1N(CC#N)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001605682927 1097194478 /nfs/dbraw/zinc/19/44/78/1097194478.db2.gz FURLPEIYFCUWPN-UHFFFAOYSA-N -1 3 342.359 2.546 20 30 EFEDHM Cc1cc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1C#N ZINC001605745339 1097214245 /nfs/dbraw/zinc/21/42/45/1097214245.db2.gz WAEYNSDDLFDPLY-CLFYSBASSA-N -1 3 331.335 2.666 20 30 EFEDHM Cc1cc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1C#N ZINC001605745339 1097214247 /nfs/dbraw/zinc/21/42/47/1097214247.db2.gz WAEYNSDDLFDPLY-CLFYSBASSA-N -1 3 331.335 2.666 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N(CCC#N)CCC(C)C ZINC001605789346 1097224735 /nfs/dbraw/zinc/22/47/35/1097224735.db2.gz NKIXYNHGOLLQSK-UHFFFAOYSA-N -1 3 326.404 2.577 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(CCC#N)CCC(C)C ZINC001605789346 1097224737 /nfs/dbraw/zinc/22/47/37/1097224737.db2.gz NKIXYNHGOLLQSK-UHFFFAOYSA-N -1 3 326.404 2.577 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC001605795753 1097228173 /nfs/dbraw/zinc/22/81/73/1097228173.db2.gz KBPXHJZBSYMMSR-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC001605795753 1097228178 /nfs/dbraw/zinc/22/81/78/1097228178.db2.gz KBPXHJZBSYMMSR-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1ccc2cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)ccc2n1 ZINC001605889341 1097267129 /nfs/dbraw/zinc/26/71/29/1097267129.db2.gz BTLZFGPIVAQXDV-UHFFFAOYSA-N -1 3 343.394 2.847 20 30 EFEDHM Cc1ccc2cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)ccc2n1 ZINC001605889341 1097267133 /nfs/dbraw/zinc/26/71/33/1097267133.db2.gz BTLZFGPIVAQXDV-UHFFFAOYSA-N -1 3 343.394 2.847 20 30 EFEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(N[C@H]3CC[C@@H](CC#N)C3)c2c1 ZINC001605893778 1097268583 /nfs/dbraw/zinc/26/85/83/1097268583.db2.gz AWUKJHHGSGTPKM-STQMWFEESA-N -1 3 333.399 2.640 20 30 EFEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(N[C@H]3CC[C@@H](CC#N)C3)c2c1 ZINC001605893778 1097268587 /nfs/dbraw/zinc/26/85/87/1097268587.db2.gz AWUKJHHGSGTPKM-STQMWFEESA-N -1 3 333.399 2.640 20 30 EFEDHM Cc1nc(N2CC=C(c3ccc(C#N)cc3)CC2)ccc1-c1nnn[n-]1 ZINC001606049778 1097306774 /nfs/dbraw/zinc/30/67/74/1097306774.db2.gz HZUXCDHGYHOLAC-UHFFFAOYSA-N -1 3 343.394 2.736 20 30 EFEDHM Cc1nc(N2CC=C(c3ccc(C#N)cc3)CC2)ccc1-c1nn[n-]n1 ZINC001606049778 1097306778 /nfs/dbraw/zinc/30/67/78/1097306778.db2.gz HZUXCDHGYHOLAC-UHFFFAOYSA-N -1 3 343.394 2.736 20 30 EFEDHM Cc1nc(NCc2ccc(CC#N)cc2)c(Cl)cc1-c1nnn[n-]1 ZINC001606077461 1097312283 /nfs/dbraw/zinc/31/22/83/1097312283.db2.gz VXUUWYIJUPJBDZ-UHFFFAOYSA-N -1 3 339.790 2.902 20 30 EFEDHM Cc1nc(NCc2ccc(CC#N)cc2)c(Cl)cc1-c1nn[n-]n1 ZINC001606077461 1097312287 /nfs/dbraw/zinc/31/22/87/1097312287.db2.gz VXUUWYIJUPJBDZ-UHFFFAOYSA-N -1 3 339.790 2.902 20 30 EFEDHM CN(CCC#N)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc1 ZINC001606105754 1097319931 /nfs/dbraw/zinc/31/99/31/1097319931.db2.gz KSSIQMYHIKZYFK-GOSISDBHSA-N -1 3 339.395 2.658 20 30 EFEDHM Cc1sccc1NC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001606184993 1097341578 /nfs/dbraw/zinc/34/15/78/1097341578.db2.gz LZOAZACPKOWTKJ-ZDUSSCGKSA-N -1 3 338.396 2.558 20 30 EFEDHM Cc1sccc1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606184993 1097341581 /nfs/dbraw/zinc/34/15/81/1097341581.db2.gz LZOAZACPKOWTKJ-ZDUSSCGKSA-N -1 3 338.396 2.558 20 30 EFEDHM Clc1nc2sccn2c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001606199726 1097351165 /nfs/dbraw/zinc/35/11/65/1097351165.db2.gz NVHQUZGVYDSXNC-UHFFFAOYSA-N -1 3 344.791 2.675 20 30 EFEDHM CN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC001606237642 1097355365 /nfs/dbraw/zinc/35/53/65/1097355365.db2.gz GNKBRFJHKARIOO-PMACEKPBSA-N -1 3 349.434 2.543 20 30 EFEDHM CN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@@H]1Cc1ccccc1 ZINC001606237644 1097356872 /nfs/dbraw/zinc/35/68/72/1097356872.db2.gz GNKBRFJHKARIOO-VQTJNVASSA-N -1 3 349.434 2.543 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001606276705 1097359777 /nfs/dbraw/zinc/35/97/77/1097359777.db2.gz TYJPNYJVLVIPNK-ZROIWOOFSA-N -1 3 346.394 2.690 20 30 EFEDHM Cn1ncc(C2CCC2)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001606276705 1097359784 /nfs/dbraw/zinc/35/97/84/1097359784.db2.gz TYJPNYJVLVIPNK-ZROIWOOFSA-N -1 3 346.394 2.690 20 30 EFEDHM Cn1ncc(C2CC2)c1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC001606276242 1097360272 /nfs/dbraw/zinc/36/02/72/1097360272.db2.gz JEYRTXVNBLRUJY-UKTHLTGXSA-N -1 3 346.394 2.690 20 30 EFEDHM Cn1ncc(C2CC2)c1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC001606276242 1097360275 /nfs/dbraw/zinc/36/02/75/1097360275.db2.gz JEYRTXVNBLRUJY-UKTHLTGXSA-N -1 3 346.394 2.690 20 30 EFEDHM FC(F)(F)c1cc(N=NC[C@@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001606291798 1097362256 /nfs/dbraw/zinc/36/22/56/1097362256.db2.gz DOKZEVBORFAIES-VIFPVBQESA-N -1 3 340.309 2.710 20 30 EFEDHM FC(F)(F)c1cc(N=NC[C@@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001606291798 1097362264 /nfs/dbraw/zinc/36/22/64/1097362264.db2.gz DOKZEVBORFAIES-VIFPVBQESA-N -1 3 340.309 2.710 20 30 EFEDHM FC(F)Oc1cccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001606299553 1097365540 /nfs/dbraw/zinc/36/55/40/1097365540.db2.gz CQBUJYKEHGTMCS-UHFFFAOYSA-N -1 3 330.298 2.914 20 30 EFEDHM Fc1cc(-c2nnn[n-]2)ccc1CON=C1CCOc2ccccc21 ZINC001606305747 1097370313 /nfs/dbraw/zinc/37/03/13/1097370313.db2.gz CNTMZUCMEABYFB-UHFFFAOYSA-N -1 3 339.330 2.709 20 30 EFEDHM Fc1cc(-c2nn[n-]n2)ccc1CON=C1CCOc2ccccc21 ZINC001606305747 1097370320 /nfs/dbraw/zinc/37/03/20/1097370320.db2.gz CNTMZUCMEABYFB-UHFFFAOYSA-N -1 3 339.330 2.709 20 30 EFEDHM N#CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC001606340317 1097388494 /nfs/dbraw/zinc/38/84/94/1097388494.db2.gz JVOOJKKNHZQQMK-UHFFFAOYSA-N -1 3 336.277 2.518 20 30 EFEDHM N#CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC001606340317 1097388499 /nfs/dbraw/zinc/38/84/99/1097388499.db2.gz JVOOJKKNHZQQMK-UHFFFAOYSA-N -1 3 336.277 2.518 20 30 EFEDHM N#CC1(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC001606340350 1097388533 /nfs/dbraw/zinc/38/85/33/1097388533.db2.gz LHXQGQGRVFMVIB-UHFFFAOYSA-N -1 3 342.428 2.829 20 30 EFEDHM N#CC1(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC001606340350 1097388539 /nfs/dbraw/zinc/38/85/39/1097388539.db2.gz LHXQGQGRVFMVIB-UHFFFAOYSA-N -1 3 342.428 2.829 20 30 EFEDHM N#CC1CCC(CNc2cccc(-n3cccn3)c2-c2nnn[n-]2)CC1 ZINC001606344400 1097389672 /nfs/dbraw/zinc/38/96/72/1097389672.db2.gz LBYLHZYEDMJVBW-UHFFFAOYSA-N -1 3 348.414 2.794 20 30 EFEDHM N#CC1CCC(CNc2cccc(-n3cccn3)c2-c2nn[n-]n2)CC1 ZINC001606344400 1097389677 /nfs/dbraw/zinc/38/96/77/1097389677.db2.gz LBYLHZYEDMJVBW-UHFFFAOYSA-N -1 3 348.414 2.794 20 30 EFEDHM N#CC1(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCCCC1 ZINC001606344081 1097389766 /nfs/dbraw/zinc/38/97/66/1097389766.db2.gz XGCMEYRQIDLGEA-UHFFFAOYSA-N -1 3 327.348 2.661 20 30 EFEDHM N#CC1(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCCCC1 ZINC001606344081 1097389771 /nfs/dbraw/zinc/38/97/71/1097389771.db2.gz XGCMEYRQIDLGEA-UHFFFAOYSA-N -1 3 327.348 2.661 20 30 EFEDHM N#CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606349486 1097390878 /nfs/dbraw/zinc/39/08/78/1097390878.db2.gz BWSKNHIVVZMLLC-UHFFFAOYSA-N -1 3 342.309 2.659 20 30 EFEDHM N#CCOc1cc(F)ccc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001606349486 1097390884 /nfs/dbraw/zinc/39/08/84/1097390884.db2.gz BWSKNHIVVZMLLC-UHFFFAOYSA-N -1 3 342.309 2.659 20 30 EFEDHM N#CCOc1cccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1 ZINC001606350750 1097391172 /nfs/dbraw/zinc/39/11/72/1097391172.db2.gz CCALOPXNEHTSSP-OVCLIPMQSA-N -1 3 343.346 2.591 20 30 EFEDHM N#CCOc1cccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1 ZINC001606350750 1097391177 /nfs/dbraw/zinc/39/11/77/1097391177.db2.gz CCALOPXNEHTSSP-OVCLIPMQSA-N -1 3 343.346 2.591 20 30 EFEDHM N#CCCc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001606349685 1097391642 /nfs/dbraw/zinc/39/16/42/1097391642.db2.gz WIRJJAXQRQWLPB-UHFFFAOYSA-N -1 3 347.382 2.645 20 30 EFEDHM N#CCCc1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001606349685 1097391650 /nfs/dbraw/zinc/39/16/50/1097391650.db2.gz WIRJJAXQRQWLPB-UHFFFAOYSA-N -1 3 347.382 2.645 20 30 EFEDHM N#CCn1c(C=Cc2cc(-c3nnn[n-]3)cs2)nc2ccccc21 ZINC001606354159 1097391728 /nfs/dbraw/zinc/39/17/28/1097391728.db2.gz BCAMQBKKYCKTDW-WAYWQWQTSA-N -1 3 333.380 2.972 20 30 EFEDHM N#CCn1c(C=Cc2cc(-c3nn[n-]n3)cs2)nc2ccccc21 ZINC001606354159 1097391734 /nfs/dbraw/zinc/39/17/34/1097391734.db2.gz BCAMQBKKYCKTDW-WAYWQWQTSA-N -1 3 333.380 2.972 20 30 EFEDHM N#Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)o1 ZINC001606367245 1097393823 /nfs/dbraw/zinc/39/38/23/1097393823.db2.gz DTUNOWHONRWAQX-UHFFFAOYSA-N -1 3 347.260 2.796 20 30 EFEDHM N#Cc1cc(Oc2cc(Cl)ccc2-c2nnn[n-]2)nc(C2CC2)n1 ZINC001606363855 1097394162 /nfs/dbraw/zinc/39/41/62/1097394162.db2.gz RPWPMKGESRYVRW-UHFFFAOYSA-N -1 3 339.746 2.851 20 30 EFEDHM N#Cc1cc(Oc2cc(Cl)ccc2-c2nn[n-]n2)nc(C2CC2)n1 ZINC001606363855 1097394168 /nfs/dbraw/zinc/39/41/68/1097394168.db2.gz RPWPMKGESRYVRW-UHFFFAOYSA-N -1 3 339.746 2.851 20 30 EFEDHM N#Cc1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1-c1nnn[n-]1 ZINC001606373075 1097394531 /nfs/dbraw/zinc/39/45/31/1097394531.db2.gz XFJGGVOCBOINMT-UHFFFAOYSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc(NC(=O)C(C2CCC2)C2CCC2)cc1-c1nn[n-]n1 ZINC001606373075 1097394536 /nfs/dbraw/zinc/39/45/36/1097394536.db2.gz XFJGGVOCBOINMT-UHFFFAOYSA-N -1 3 336.399 2.893 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c3occc32)cc1-c1nnn[n-]1 ZINC001606378025 1097395073 /nfs/dbraw/zinc/39/50/73/1097395073.db2.gz ZBMCLWWCSQGWCK-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c3occc32)cc1-c1nn[n-]n1 ZINC001606378025 1097395078 /nfs/dbraw/zinc/39/50/78/1097395078.db2.gz ZBMCLWWCSQGWCK-UHFFFAOYSA-N -1 3 348.297 2.876 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1cccc(F)c1F ZINC001606379554 1097395255 /nfs/dbraw/zinc/39/52/55/1097395255.db2.gz DKHBQPFZYWLYRV-UHFFFAOYSA-N -1 3 326.310 2.671 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1cccc(F)c1F ZINC001606379554 1097395257 /nfs/dbraw/zinc/39/52/57/1097395257.db2.gz DKHBQPFZYWLYRV-UHFFFAOYSA-N -1 3 326.310 2.671 20 30 EFEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC001606385067 1097396442 /nfs/dbraw/zinc/39/64/42/1097396442.db2.gz NFWNLQJCDCMOBL-UONOGXRCSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC001606385067 1097396451 /nfs/dbraw/zinc/39/64/51/1097396451.db2.gz NFWNLQJCDCMOBL-UONOGXRCSA-N -1 3 348.341 2.620 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H](CC(F)(F)F)C1 ZINC001606380657 1097396465 /nfs/dbraw/zinc/39/64/65/1097396465.db2.gz BKZQWMFKFNAGAT-SNVBAGLBSA-N -1 3 336.321 2.907 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H](CC(F)(F)F)C1 ZINC001606380657 1097396470 /nfs/dbraw/zinc/39/64/70/1097396470.db2.gz BKZQWMFKFNAGAT-SNVBAGLBSA-N -1 3 336.321 2.907 20 30 EFEDHM N#Cc1cccc(N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1[N+](=O)[O-] ZINC001606381811 1097396499 /nfs/dbraw/zinc/39/64/99/1097396499.db2.gz LJLLQNZBDUVGSR-CQSZACIVSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cccc(N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1[N+](=O)[O-] ZINC001606381811 1097396504 /nfs/dbraw/zinc/39/65/04/1097396504.db2.gz LJLLQNZBDUVGSR-CQSZACIVSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cccc(C2(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC001606380130 1097396670 /nfs/dbraw/zinc/39/66/70/1097396670.db2.gz QXPUYXVUCQXYQM-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cccc(C2(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1 ZINC001606380130 1097396675 /nfs/dbraw/zinc/39/66/75/1097396675.db2.gz QXPUYXVUCQXYQM-UHFFFAOYSA-N -1 3 348.341 2.548 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@@H](CC(F)(F)F)C1 ZINC001606380652 1097396823 /nfs/dbraw/zinc/39/68/23/1097396823.db2.gz BKZQWMFKFNAGAT-JTQLQIEISA-N -1 3 336.321 2.907 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@@H](CC(F)(F)F)C1 ZINC001606380652 1097396829 /nfs/dbraw/zinc/39/68/29/1097396829.db2.gz BKZQWMFKFNAGAT-JTQLQIEISA-N -1 3 336.321 2.907 20 30 EFEDHM N#Cc1cccnc1N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001606389794 1097397766 /nfs/dbraw/zinc/39/77/66/1097397766.db2.gz XROMTHAZRVEUAO-UHFFFAOYSA-N -1 3 331.383 2.517 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)CCO2 ZINC001606483281 1097405293 /nfs/dbraw/zinc/40/52/93/1097405293.db2.gz ZZKQJSFEHLWYHC-GQCTYLIASA-N -1 3 336.326 2.837 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)CCO2 ZINC001606483281 1097405297 /nfs/dbraw/zinc/40/52/97/1097405297.db2.gz ZZKQJSFEHLWYHC-GQCTYLIASA-N -1 3 336.326 2.837 20 30 EFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cnn(C2CCC2)c1 ZINC001606482540 1097405346 /nfs/dbraw/zinc/40/53/46/1097405346.db2.gz PFKVYMZQNKWKKU-PLNGDYQASA-N -1 3 326.385 2.746 20 30 EFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cnn(C2CCC2)c1 ZINC001606482540 1097405348 /nfs/dbraw/zinc/40/53/48/1097405348.db2.gz PFKVYMZQNKWKKU-PLNGDYQASA-N -1 3 326.385 2.746 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482347 1097405877 /nfs/dbraw/zinc/40/58/77/1097405877.db2.gz RUNFVVVZZDKQHT-QPJJXVBHSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482347 1097405885 /nfs/dbraw/zinc/40/58/85/1097405885.db2.gz RUNFVVVZZDKQHT-QPJJXVBHSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C(CC#Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001606488972 1097408623 /nfs/dbraw/zinc/40/86/23/1097408623.db2.gz ZIRLJDWMQPOCIZ-UHFFFAOYSA-N -1 3 337.770 2.900 20 30 EFEDHM O=C(CC#Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001606488972 1097408626 /nfs/dbraw/zinc/40/86/26/1097408626.db2.gz ZIRLJDWMQPOCIZ-UHFFFAOYSA-N -1 3 337.770 2.900 20 30 EFEDHM O=C(c1csc(-c2nnn[n-]2)c1)N(O)Cc1ccccc1Cl ZINC001607031531 1097499292 /nfs/dbraw/zinc/49/92/92/1097499292.db2.gz FWSJDYAKNQDOQS-UHFFFAOYSA-N -1 3 335.776 2.613 20 30 EFEDHM O=C1CC(=Cc2ccc(F)c(-c3nnn[n-]3)c2)C(=O)c2ccccc2N1 ZINC001607038624 1097501426 /nfs/dbraw/zinc/50/14/26/1097501426.db2.gz XUIRZQJNHGBKOL-YRNVUSSQSA-N -1 3 349.325 2.614 20 30 EFEDHM O=C1CC(=Cc2ccc(F)c(-c3nn[n-]n3)c2)C(=O)c2ccccc2N1 ZINC001607038624 1097501431 /nfs/dbraw/zinc/50/14/31/1097501431.db2.gz XUIRZQJNHGBKOL-YRNVUSSQSA-N -1 3 349.325 2.614 20 30 EFEDHM O=C1CC(=Cc2cc(-c3nnn[n-]3)cs2)C(=O)c2ccccc2N1 ZINC001607036798 1097502032 /nfs/dbraw/zinc/50/20/32/1097502032.db2.gz AEPSWACRJBHPLE-WEVVVXLNSA-N -1 3 337.364 2.537 20 30 EFEDHM O=C1CC(=Cc2cc(-c3nn[n-]n3)cs2)C(=O)c2ccccc2N1 ZINC001607036798 1097502033 /nfs/dbraw/zinc/50/20/33/1097502033.db2.gz AEPSWACRJBHPLE-WEVVVXLNSA-N -1 3 337.364 2.537 20 30 EFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001607037232 1097502250 /nfs/dbraw/zinc/50/22/50/1097502250.db2.gz UKSORPWWKZQUCW-WZUFQYTHSA-N -1 3 340.289 2.804 20 30 EFEDHM O=C1c2cc(F)cc(F)c2OCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001607037232 1097502256 /nfs/dbraw/zinc/50/22/56/1097502256.db2.gz UKSORPWWKZQUCW-WZUFQYTHSA-N -1 3 340.289 2.804 20 30 EFEDHM COc1cc(CN2CC[C@H](c3ncc(C(=O)[O-])s3)C2)ccc1C#N ZINC001607158164 1097545955 /nfs/dbraw/zinc/54/59/55/1097545955.db2.gz VOKWCCMSJGEJMW-ZDUSSCGKSA-N -1 3 343.408 2.711 20 30 EFEDHM N#Cc1c(CN2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cccc1C(=O)[O-] ZINC001608191194 1097855932 /nfs/dbraw/zinc/85/59/32/1097855932.db2.gz IMRQJUAFDICLQI-JQHSSLGASA-N -1 3 328.412 2.772 20 30 EFEDHM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC001608204356 1097861970 /nfs/dbraw/zinc/86/19/70/1097861970.db2.gz CWMXLZXLDREHBC-QLFBSQMISA-N -1 3 329.356 2.542 20 30 EFEDHM N#Cc1ccccc1NC1CCN(Cc2ccoc2C(=O)[O-])CC1 ZINC001608219419 1097868717 /nfs/dbraw/zinc/86/87/17/1097868717.db2.gz USXXGAQGKRIPPJ-UHFFFAOYSA-N -1 3 325.368 2.926 20 30 EFEDHM C#CCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001609020204 1098112644 /nfs/dbraw/zinc/11/26/44/1098112644.db2.gz UQGIIYZWJUQGJJ-UHFFFAOYSA-N -1 3 348.366 2.796 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001609051911 1098121456 /nfs/dbraw/zinc/12/14/56/1098121456.db2.gz BAJOQDNAHAXQBO-OAHLLOKOSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001609051911 1098121460 /nfs/dbraw/zinc/12/14/60/1098121460.db2.gz BAJOQDNAHAXQBO-OAHLLOKOSA-N -1 3 335.795 2.687 20 30 EFEDHM C=C(C)CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001609051201 1098121611 /nfs/dbraw/zinc/12/16/11/1098121611.db2.gz RFYVFRLKDCDUMQ-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=C(C)CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001609051201 1098121614 /nfs/dbraw/zinc/12/16/14/1098121614.db2.gz RFYVFRLKDCDUMQ-UHFFFAOYSA-N -1 3 330.392 2.742 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(-c2nnn[n-]2)ccn1 ZINC001609051714 1098122042 /nfs/dbraw/zinc/12/20/42/1098122042.db2.gz PYLAEBLOMKSAIR-UHFFFAOYSA-N -1 3 338.419 2.622 20 30 EFEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(-c2nn[n-]n2)ccn1 ZINC001609051714 1098122045 /nfs/dbraw/zinc/12/20/45/1098122045.db2.gz PYLAEBLOMKSAIR-UHFFFAOYSA-N -1 3 338.419 2.622 20 30 EFEDHM C=CCC[C@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001609053310 1098122790 /nfs/dbraw/zinc/12/27/90/1098122790.db2.gz FYGXRDFSAGQPCV-SNVBAGLBSA-N -1 3 327.310 2.625 20 30 EFEDHM C=CCC[C@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001609053310 1098122792 /nfs/dbraw/zinc/12/27/92/1098122792.db2.gz FYGXRDFSAGQPCV-SNVBAGLBSA-N -1 3 327.310 2.625 20 30 EFEDHM C=CCC(F)(F)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609054138 1098123141 /nfs/dbraw/zinc/12/31/41/1098123141.db2.gz ZMKOCLVTCRIWFC-NSHDSACASA-N -1 3 335.358 2.988 20 30 EFEDHM C=CCC(F)(F)C(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609054138 1098123142 /nfs/dbraw/zinc/12/31/42/1098123142.db2.gz ZMKOCLVTCRIWFC-NSHDSACASA-N -1 3 335.358 2.988 20 30 EFEDHM C=CCC1(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001609053681 1098123150 /nfs/dbraw/zinc/12/31/50/1098123150.db2.gz ORXQGYFKJVVNED-UHFFFAOYSA-N -1 3 328.372 2.535 20 30 EFEDHM C=CCC1(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001609053681 1098123153 /nfs/dbraw/zinc/12/31/53/1098123153.db2.gz ORXQGYFKJVVNED-UHFFFAOYSA-N -1 3 328.372 2.535 20 30 EFEDHM C=CCCCCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001609054081 1098123162 /nfs/dbraw/zinc/12/31/62/1098123162.db2.gz YKNAFEOCZQSFDV-UHFFFAOYSA-N -1 3 330.388 2.924 20 30 EFEDHM C=CCCCCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609054081 1098123164 /nfs/dbraw/zinc/12/31/64/1098123164.db2.gz YKNAFEOCZQSFDV-UHFFFAOYSA-N -1 3 330.388 2.924 20 30 EFEDHM C=CCC(F)(F)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609054136 1098123313 /nfs/dbraw/zinc/12/33/13/1098123313.db2.gz ZMKOCLVTCRIWFC-LLVKDONJSA-N -1 3 335.358 2.988 20 30 EFEDHM C=CCC(F)(F)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609054136 1098123317 /nfs/dbraw/zinc/12/33/17/1098123317.db2.gz ZMKOCLVTCRIWFC-LLVKDONJSA-N -1 3 335.358 2.988 20 30 EFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052488 1098123468 /nfs/dbraw/zinc/12/34/68/1098123468.db2.gz DXJSOSBEMZLCTB-HNNXBMFYSA-N -1 3 325.416 2.963 20 30 EFEDHM C=CCC(C)(C)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052488 1098123472 /nfs/dbraw/zinc/12/34/72/1098123472.db2.gz DXJSOSBEMZLCTB-HNNXBMFYSA-N -1 3 325.416 2.963 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCCCC1 ZINC001609056450 1098124678 /nfs/dbraw/zinc/12/46/78/1098124678.db2.gz KDYDLHRMYUSGDW-UHFFFAOYSA-N -1 3 325.416 2.962 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCCCC1 ZINC001609056450 1098124683 /nfs/dbraw/zinc/12/46/83/1098124683.db2.gz KDYDLHRMYUSGDW-UHFFFAOYSA-N -1 3 325.416 2.962 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NC(C)(C)CC ZINC001609056959 1098124779 /nfs/dbraw/zinc/12/47/79/1098124779.db2.gz PANQQYXCLMIRLV-UHFFFAOYSA-N -1 3 344.488 2.918 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)NC(C)(C)CC ZINC001609056959 1098124783 /nfs/dbraw/zinc/12/47/83/1098124783.db2.gz PANQQYXCLMIRLV-UHFFFAOYSA-N -1 3 344.488 2.918 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccnn1-c1ccccc1 ZINC001609061261 1098125465 /nfs/dbraw/zinc/12/54/65/1098125465.db2.gz QYDYNNAOQKRXBX-UHFFFAOYSA-N -1 3 344.382 2.889 20 30 EFEDHM C=CCNN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001609058617 1098126507 /nfs/dbraw/zinc/12/65/07/1098126507.db2.gz JXXWNGUDSSCXAS-UHFFFAOYSA-N -1 3 334.383 2.555 20 30 EFEDHM C=CCNN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001609058617 1098126510 /nfs/dbraw/zinc/12/65/10/1098126510.db2.gz JXXWNGUDSSCXAS-UHFFFAOYSA-N -1 3 334.383 2.555 20 30 EFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609064141 1098127595 /nfs/dbraw/zinc/12/75/95/1098127595.db2.gz BHKGFNBDIJINTL-NYYWCZLTSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609064141 1098127601 /nfs/dbraw/zinc/12/76/01/1098127601.db2.gz BHKGFNBDIJINTL-NYYWCZLTSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609064142 1098127761 /nfs/dbraw/zinc/12/77/61/1098127761.db2.gz BHKGFNBDIJINTL-WCIBSUBMSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609064142 1098127766 /nfs/dbraw/zinc/12/77/66/1098127766.db2.gz BHKGFNBDIJINTL-WCIBSUBMSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609073100 1098131003 /nfs/dbraw/zinc/13/10/03/1098131003.db2.gz VJPDHAMFEADYCX-UHFFFAOYSA-N -1 3 333.351 2.887 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609073100 1098131005 /nfs/dbraw/zinc/13/10/05/1098131005.db2.gz VJPDHAMFEADYCX-UHFFFAOYSA-N -1 3 333.351 2.887 20 30 EFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cscc1-c1nnn[n-]1 ZINC001609082505 1098135472 /nfs/dbraw/zinc/13/54/72/1098135472.db2.gz KBEWKDRCBJQLKP-UHFFFAOYSA-N -1 3 341.400 2.609 20 30 EFEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1cscc1-c1nn[n-]n1 ZINC001609082505 1098135475 /nfs/dbraw/zinc/13/54/75/1098135475.db2.gz KBEWKDRCBJQLKP-UHFFFAOYSA-N -1 3 341.400 2.609 20 30 EFEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609092657 1098139520 /nfs/dbraw/zinc/13/95/20/1098139520.db2.gz VVNAHDDLFFVRNS-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609092657 1098139522 /nfs/dbraw/zinc/13/95/22/1098139522.db2.gz VVNAHDDLFFVRNS-OAHLLOKOSA-N -1 3 332.795 2.578 20 30 EFEDHM C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609126096 1098157697 /nfs/dbraw/zinc/15/76/97/1098157697.db2.gz FJBOXXUTLWONOA-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609126096 1098157701 /nfs/dbraw/zinc/15/77/01/1098157701.db2.gz FJBOXXUTLWONOA-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609126636 1098158610 /nfs/dbraw/zinc/15/86/10/1098158610.db2.gz CMAOLMOZAFYJHT-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609126636 1098158612 /nfs/dbraw/zinc/15/86/12/1098158612.db2.gz CMAOLMOZAFYJHT-JTQLQIEISA-N -1 3 335.327 2.820 20 30 EFEDHM C[C@H](OC(=O)c1ccccc1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001609132645 1098160927 /nfs/dbraw/zinc/16/09/27/1098160927.db2.gz COXBHGPNKZHHMM-LBPRGKRZSA-N -1 3 333.351 2.851 20 30 EFEDHM C[C@H](OC(=O)c1ccccc1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001609132645 1098160930 /nfs/dbraw/zinc/16/09/30/1098160930.db2.gz COXBHGPNKZHHMM-LBPRGKRZSA-N -1 3 333.351 2.851 20 30 EFEDHM CC[C@H](CC#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001609187875 1098187396 /nfs/dbraw/zinc/18/73/96/1098187396.db2.gz RJJUHAVZTLSEIB-CYBMUJFWSA-N -1 3 346.394 2.956 20 30 EFEDHM CC[C@H](CC#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001609187875 1098187404 /nfs/dbraw/zinc/18/74/04/1098187404.db2.gz RJJUHAVZTLSEIB-CYBMUJFWSA-N -1 3 346.394 2.956 20 30 EFEDHM CCCC[C@@H](C)N(C)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609207317 1098201546 /nfs/dbraw/zinc/20/15/46/1098201546.db2.gz CDFLOHDZLJJPKA-CJNGLKHVSA-N -1 3 340.431 2.586 20 30 EFEDHM CCCN(C)c1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001609212368 1098206058 /nfs/dbraw/zinc/20/60/58/1098206058.db2.gz ZZECRXUKTKSTER-UHFFFAOYSA-N -1 3 325.420 2.639 20 30 EFEDHM CCCN(C)c1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001609212368 1098206060 /nfs/dbraw/zinc/20/60/60/1098206060.db2.gz ZZECRXUKTKSTER-UHFFFAOYSA-N -1 3 325.420 2.639 20 30 EFEDHM CCCNc1nnc(Sc2c(C#N)cccc2-c2nnn[n-]2)s1 ZINC001609216152 1098206613 /nfs/dbraw/zinc/20/66/13/1098206613.db2.gz LYVHXSSRHKKXRU-UHFFFAOYSA-N -1 3 344.429 2.563 20 30 EFEDHM CCCNc1nnc(Sc2c(C#N)cccc2-c2nn[n-]n2)s1 ZINC001609216152 1098206618 /nfs/dbraw/zinc/20/66/18/1098206618.db2.gz LYVHXSSRHKKXRU-UHFFFAOYSA-N -1 3 344.429 2.563 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)C=Cc1ccccc1C#N ZINC001609250386 1098223513 /nfs/dbraw/zinc/22/35/13/1098223513.db2.gz HICJREABAHMVJX-CSKARUKUSA-N -1 3 345.362 2.920 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)C=Cc1ccccc1C#N ZINC001609250386 1098223519 /nfs/dbraw/zinc/22/35/19/1098223519.db2.gz HICJREABAHMVJX-CSKARUKUSA-N -1 3 345.362 2.920 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1c(F)cc(C#N)cc1F ZINC001609278622 1098236527 /nfs/dbraw/zinc/23/65/27/1098236527.db2.gz RDVLKWAMKFOAMV-UHFFFAOYSA-N -1 3 326.310 2.653 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc(C#N)cc1F ZINC001609278622 1098236530 /nfs/dbraw/zinc/23/65/30/1098236530.db2.gz RDVLKWAMKFOAMV-UHFFFAOYSA-N -1 3 326.310 2.653 20 30 EFEDHM COCc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001609330851 1098249505 /nfs/dbraw/zinc/24/95/05/1098249505.db2.gz TVXXWLAQOLDAFI-OVCLIPMQSA-N -1 3 347.378 2.621 20 30 EFEDHM COCc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001609330851 1098249509 /nfs/dbraw/zinc/24/95/09/1098249509.db2.gz TVXXWLAQOLDAFI-OVCLIPMQSA-N -1 3 347.378 2.621 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc3c(c2)CCO3)ccc1-c1nnn[n-]1 ZINC001609341271 1098254393 /nfs/dbraw/zinc/25/43/93/1098254393.db2.gz IALLQSABFCZSMB-UTCJRWHESA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cc(C=CC(=O)c2ccc3c(c2)CCO3)ccc1-c1nn[n-]n1 ZINC001609341271 1098254400 /nfs/dbraw/zinc/25/44/00/1098254400.db2.gz IALLQSABFCZSMB-UTCJRWHESA-N -1 3 348.362 2.706 20 30 EFEDHM COc1ccc2c(c1)CCCN(c1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001609359862 1098265471 /nfs/dbraw/zinc/26/54/71/1098265471.db2.gz RGKQMALRBXHFTL-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1ccc2c(c1)CCCN(c1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001609359862 1098265477 /nfs/dbraw/zinc/26/54/77/1098265477.db2.gz RGKQMALRBXHFTL-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1cccc(OC)c1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001609362292 1098267760 /nfs/dbraw/zinc/26/77/60/1098267760.db2.gz HAJKGSYEEUDWKA-JLHYYAGUSA-N -1 3 348.362 2.706 20 30 EFEDHM COc1cccc(OC)c1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001609362292 1098267766 /nfs/dbraw/zinc/26/77/66/1098267766.db2.gz HAJKGSYEEUDWKA-JLHYYAGUSA-N -1 3 348.362 2.706 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cnn1C(C)C ZINC001609379329 1098275008 /nfs/dbraw/zinc/27/50/08/1098275008.db2.gz CTWNACXBDCFJJZ-ALCCZGGFSA-N -1 3 340.362 2.988 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cnn1C(C)C ZINC001609379329 1098275014 /nfs/dbraw/zinc/27/50/14/1098275014.db2.gz CTWNACXBDCFJJZ-ALCCZGGFSA-N -1 3 340.362 2.988 20 30 EFEDHM Cc1c(C(=O)N[C@@](C)(C#N)C2CCCCC2)cccc1-c1nnn[n-]1 ZINC001609381788 1098276109 /nfs/dbraw/zinc/27/61/09/1098276109.db2.gz WZKAKIIRFXKPHC-SFHVURJKSA-N -1 3 338.415 2.768 20 30 EFEDHM Cc1c(C(=O)N[C@@](C)(C#N)C2CCCCC2)cccc1-c1nn[n-]n1 ZINC001609381788 1098276115 /nfs/dbraw/zinc/27/61/15/1098276115.db2.gz WZKAKIIRFXKPHC-SFHVURJKSA-N -1 3 338.415 2.768 20 30 EFEDHM C=CCN1CCC(NC(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)CC1 ZINC001609398764 1098287256 /nfs/dbraw/zinc/28/72/56/1098287256.db2.gz HHTJRQLOLKYLBO-UHFFFAOYSA-N -1 3 342.399 2.638 20 30 EFEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC001609421894 1098306411 /nfs/dbraw/zinc/30/64/11/1098306411.db2.gz ARLQEYSLZNQKRM-RUDMXATFSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC001609421894 1098306416 /nfs/dbraw/zinc/30/64/16/1098306416.db2.gz ARLQEYSLZNQKRM-RUDMXATFSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)nc1C#N ZINC001609426393 1098310534 /nfs/dbraw/zinc/31/05/34/1098310534.db2.gz QSILKDYQFUHNGC-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM Cc1ccc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)nc1C#N ZINC001609426393 1098310536 /nfs/dbraw/zinc/31/05/36/1098310536.db2.gz QSILKDYQFUHNGC-UHFFFAOYSA-N -1 3 325.763 2.707 20 30 EFEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)cc1 ZINC001609460449 1098336051 /nfs/dbraw/zinc/33/60/51/1098336051.db2.gz WDHKKAXVRAQZLU-GOSISDBHSA-N -1 3 343.379 2.881 20 30 EFEDHM N#Cc1ccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c(F)c1 ZINC001609498813 1098361804 /nfs/dbraw/zinc/36/18/04/1098361804.db2.gz PQNZRYFDEDFINI-AUWJEWJLSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c(F)c1 ZINC001609498813 1098361810 /nfs/dbraw/zinc/36/18/10/1098361810.db2.gz PQNZRYFDEDFINI-AUWJEWJLSA-N -1 3 331.310 2.700 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001609499355 1098362513 /nfs/dbraw/zinc/36/25/13/1098362513.db2.gz LSFITRPGBGEIAR-KRWDZBQOSA-N -1 3 343.394 2.721 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001609499355 1098362520 /nfs/dbraw/zinc/36/25/20/1098362520.db2.gz LSFITRPGBGEIAR-KRWDZBQOSA-N -1 3 343.394 2.721 20 30 EFEDHM N#Cc1ccc2c(c1)N(CCCOc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001609499384 1098363220 /nfs/dbraw/zinc/36/32/20/1098363220.db2.gz NDNJBQHTTFGQOB-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1ccc2c(c1)N(CCCOc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001609499384 1098363225 /nfs/dbraw/zinc/36/32/25/1098363225.db2.gz NDNJBQHTTFGQOB-UHFFFAOYSA-N -1 3 346.394 2.570 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1([C@H](O)c2ccccc2)CC1 ZINC001609499689 1098363644 /nfs/dbraw/zinc/36/36/44/1098363644.db2.gz FBKNJAWFFJOGDI-QGZVFWFLSA-N -1 3 346.394 2.664 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1([C@H](O)c2ccccc2)CC1 ZINC001609499689 1098363651 /nfs/dbraw/zinc/36/36/51/1098363651.db2.gz FBKNJAWFFJOGDI-QGZVFWFLSA-N -1 3 346.394 2.664 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H]1COc1ccccc1 ZINC001609499857 1098364004 /nfs/dbraw/zinc/36/40/04/1098364004.db2.gz MURKWNUHCSYSJJ-HNNXBMFYSA-N -1 3 346.394 2.786 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H]1COc1ccccc1 ZINC001609499857 1098364011 /nfs/dbraw/zinc/36/40/11/1098364011.db2.gz MURKWNUHCSYSJJ-HNNXBMFYSA-N -1 3 346.394 2.786 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cnn(-c2ccccc2)c1 ZINC001609517957 1098366302 /nfs/dbraw/zinc/36/63/02/1098366302.db2.gz XBVABFLRYLRIPB-DHZHZOJOSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cnn(-c2ccccc2)c1 ZINC001609517957 1098366306 /nfs/dbraw/zinc/36/63/06/1098366306.db2.gz XBVABFLRYLRIPB-DHZHZOJOSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C1C(=Cc2cc(F)ccc2F)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001609585856 1098393395 /nfs/dbraw/zinc/39/33/95/1098393395.db2.gz IFBAKVJFSHAXAA-POHAHGRESA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2cc(F)ccc2F)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001609585856 1098393401 /nfs/dbraw/zinc/39/34/01/1098393401.db2.gz IFBAKVJFSHAXAA-POHAHGRESA-N -1 3 339.305 2.752 20 30 EFEDHM c1cc2c(cc1-c1nnn[n-]1)CCCCC2=NNC[C@H]1CCSC1 ZINC001609615265 1098402488 /nfs/dbraw/zinc/40/24/88/1098402488.db2.gz OARLRWPZSMZPOT-GFCCVEGCSA-N -1 3 342.472 2.640 20 30 EFEDHM c1cc2c(cc1-c1nn[n-]n1)CCCCC2=NNC[C@H]1CCSC1 ZINC001609615265 1098402493 /nfs/dbraw/zinc/40/24/93/1098402493.db2.gz OARLRWPZSMZPOT-GFCCVEGCSA-N -1 3 342.472 2.640 20 30 EFEDHM c1ccc2c(c1)[nH]c1c2CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001609618353 1098405355 /nfs/dbraw/zinc/40/53/55/1098405355.db2.gz CHGDAMDWVQKRHP-UHFFFAOYSA-N -1 3 329.367 2.915 20 30 EFEDHM c1ccc2c(c1)[nH]c1c2CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001609618353 1098405357 /nfs/dbraw/zinc/40/53/57/1098405357.db2.gz CHGDAMDWVQKRHP-UHFFFAOYSA-N -1 3 329.367 2.915 20 30 EFEDHM C[C@@H](Oc1ccc(CNCc2cccc(OCC#N)c2)cc1)C(=O)[O-] ZINC001609802395 1098462260 /nfs/dbraw/zinc/46/22/60/1098462260.db2.gz YCTHGSMOVGUQNV-CQSZACIVSA-N -1 3 340.379 2.731 20 30 EFEDHM CCC(CC)(CNCc1nnc(-c2cccc(C#N)c2)o1)C(=O)[O-] ZINC001609914797 1098493563 /nfs/dbraw/zinc/49/35/63/1098493563.db2.gz KYBUATQQSPUCLR-UHFFFAOYSA-N -1 3 328.372 2.589 20 30 EFEDHM CN(C)[C@H](CNc1ccc(C(=O)[O-])nc1C#N)c1ccc(F)cc1 ZINC001610098363 1098546879 /nfs/dbraw/zinc/54/68/79/1098546879.db2.gz YJPGDOMQVDHYEW-MRXNPFEDSA-N -1 3 328.347 2.505 20 30 EFEDHM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cc([O-])ccc1Cl ZINC001269982891 1098560744 /nfs/dbraw/zinc/56/07/44/1098560744.db2.gz IXNUQSXOBUFVQA-GOSISDBHSA-N -1 3 348.830 2.829 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3cc([O-])ccc3Cl)C2)C1=O ZINC001269987543 1098568378 /nfs/dbraw/zinc/56/83/78/1098568378.db2.gz PSBQPFAGPJKTQM-SFHVURJKSA-N -1 3 348.830 2.686 20 30 EFEDHM C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001087421580 1099546998 /nfs/dbraw/zinc/54/69/98/1099546998.db2.gz MBWNWMNNQXJBEA-IEBWSBKVSA-N -1 3 334.419 2.613 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001631852167 1100433250 /nfs/dbraw/zinc/43/32/50/1100433250.db2.gz MCTCISLZXXJFCQ-UHFFFAOYSA-N -1 3 338.392 2.815 20 30 EFEDHM N#Cc1c([N-]C(=O)c2ncc(Cc3ccccc3)o2)n[nH]c1C1CC1 ZINC001631864585 1100434271 /nfs/dbraw/zinc/43/42/71/1100434271.db2.gz XWWBCQVMTQVYCV-UHFFFAOYSA-N -1 3 333.351 2.990 20 30 EFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1c(C)cccc1[O-] ZINC001271661722 1102226266 /nfs/dbraw/zinc/22/62/66/1102226266.db2.gz YCNVHZRRCGXLRF-FQEVSTJZSA-N -1 3 342.439 2.874 20 30 EFEDHM C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1c(C)cccc1[O-])CC2 ZINC001271661458 1102226407 /nfs/dbraw/zinc/22/64/07/1102226407.db2.gz XDGGURNXBHRRAO-OAHLLOKOSA-N -1 3 342.439 2.635 20 30 EFEDHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1Cc1ccc(C#N)s1 ZINC001088471635 1103826544 /nfs/dbraw/zinc/82/65/44/1103826544.db2.gz WUFSLBXBJKOBIP-WBMJQRKESA-N -1 3 341.436 2.718 20 30 EFEDHM O=C(CCC(=O)N1CCCC2(CN(C3CCCC3)C2)C1)C1=CC=C[CH]1 ZINC001272094388 1104860585 /nfs/dbraw/zinc/86/05/85/1104860585.db2.gz UEMWXVJWGDFLAB-UHFFFAOYSA-N -1 3 341.475 2.903 20 30 EFEDHM N#CCc1cccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)c1 ZINC001671463309 1105640195 /nfs/dbraw/zinc/64/01/95/1105640195.db2.gz JRLWVNBDMGLKKJ-UHFFFAOYSA-N -1 3 333.355 2.501 20 30 EFEDHM N#CCc1cccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)c1 ZINC001671463309 1105640196 /nfs/dbraw/zinc/64/01/96/1105640196.db2.gz JRLWVNBDMGLKKJ-UHFFFAOYSA-N -1 3 333.355 2.501 20 30 EFEDHM C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142520525 1106108816 /nfs/dbraw/zinc/10/88/16/1106108816.db2.gz LFSYUQNUVNORQN-KSSFIOAISA-N -1 3 339.382 2.997 20 30 EFEDHM N#Cc1csc(CN[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)c1 ZINC000904045446 1107541920 /nfs/dbraw/zinc/54/19/20/1107541920.db2.gz LHCXURBIMPUHHS-ZDUSSCGKSA-N -1 3 330.365 2.654 20 30 EFEDHM CC(=O)N1CCC[C@H](C(=O)N([O-])Cc2cccc3ccccc32)C1 ZINC000904171127 1107687619 /nfs/dbraw/zinc/68/76/19/1107687619.db2.gz SNBFPIYPQYLPSI-KRWDZBQOSA-N -1 3 326.396 2.816 20 30 EFEDHM O=C(C[C@H]1CCCS(=O)(=O)C1)N([O-])Cc1cccc2ccccc21 ZINC000904171792 1107688759 /nfs/dbraw/zinc/68/87/59/1107688759.db2.gz UFVHSBYGUUIUNT-CQSZACIVSA-N -1 3 347.436 2.773 20 30 EFEDHM O=C(C[C@@H]1CCCS(=O)(=O)C1)N([O-])Cc1cccc2ccccc21 ZINC000904171786 1107689244 /nfs/dbraw/zinc/68/92/44/1107689244.db2.gz UFVHSBYGUUIUNT-AWEZNQCLSA-N -1 3 347.436 2.773 20 30 EFEDHM CC(C)(C)OC(=O)NCC1(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000904173105 1107689467 /nfs/dbraw/zinc/68/94/67/1107689467.db2.gz GOWAFKPOBYMAOG-UHFFFAOYSA-N -1 3 338.379 2.848 20 30 EFEDHM COCCOc1cccc(CC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000904173292 1107690542 /nfs/dbraw/zinc/69/05/42/1107690542.db2.gz IPFWNYINHAQUSJ-UHFFFAOYSA-N -1 3 333.359 2.811 20 30 EFEDHM COCCOc1cc(OC)ccc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173606 1107690751 /nfs/dbraw/zinc/69/07/51/1107690751.db2.gz MYXQSXZAFHZBCT-UHFFFAOYSA-N -1 3 349.358 2.891 20 30 EFEDHM O=C([C@H]1CC(=O)N[C@@H]2CCCC[C@H]21)N([O-])Cc1ccccc1Cl ZINC000904192801 1107706367 /nfs/dbraw/zinc/70/63/67/1107706367.db2.gz XGDUAAISIGFNNH-KCQAQPDRSA-N -1 3 336.819 2.753 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001060063847 1108843876 /nfs/dbraw/zinc/84/38/76/1108843876.db2.gz PVENIWNUCZYIAL-CQSZACIVSA-N -1 3 330.428 2.573 20 30 EFEDHM CC1(C)CCCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@@H]1C#N ZINC000898703615 1109059781 /nfs/dbraw/zinc/05/97/81/1109059781.db2.gz KWLKSOJTFYQOAL-OAHLLOKOSA-N -1 3 345.349 2.961 20 30 EFEDHM CC1(C)CCCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)[C@H]1C#N ZINC000898703613 1109059881 /nfs/dbraw/zinc/05/98/81/1109059881.db2.gz KWLKSOJTFYQOAL-HNNXBMFYSA-N -1 3 345.349 2.961 20 30 EFEDHM Cc1nsc(NCC[C@H](C)NC(=O)c2ccccc2[O-])c1C#N ZINC001106228088 1111181060 /nfs/dbraw/zinc/18/10/60/1111181060.db2.gz GKBXOLJVHABYOO-JTQLQIEISA-N -1 3 330.413 2.649 20 30 EFEDHM CCN(CCNc1ncc(C#N)cc1Cl)C(=O)c1ccccc1[O-] ZINC001106694902 1111723717 /nfs/dbraw/zinc/72/37/17/1111723717.db2.gz IJXOQHSQHWPULO-UHFFFAOYSA-N -1 3 344.802 2.886 20 30 EFEDHM Cn1cc([N+](=O)[O-])cc1C([O-])=C(C#N)C(=O)Nc1ccccc1Cl ZINC000916913794 1111999782 /nfs/dbraw/zinc/99/97/82/1111999782.db2.gz YKCSGNMJFSHMOA-SNVBAGLBSA-N -1 3 346.730 2.548 20 30 EFEDHM C=C(Cl)CN1CC[C@@H](NC(=O)c2ncccc2[O-])CC(C)(C)C1 ZINC001089372689 1112034355 /nfs/dbraw/zinc/03/43/55/1112034355.db2.gz PWFWYKPKBSGHSH-CYBMUJFWSA-N -1 3 337.851 2.760 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NN1[C@H](C)CCC[C@H]1C ZINC000921231296 1112358237 /nfs/dbraw/zinc/35/82/37/1112358237.db2.gz TYAAFSIVZVTEQH-VXGBXAGGSA-N -1 3 330.432 2.502 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)Cc1ccccc1 ZINC000072062592 1119020014 /nfs/dbraw/zinc/02/00/14/1119020014.db2.gz VHCCFVXFTDSGDP-ZDUSSCGKSA-N -1 3 338.407 2.970 20 30 EFEDHM N#Cc1nc(NC/C=C\CNC(=O)c2ccccc2[O-])sc1Cl ZINC001107046730 1120095047 /nfs/dbraw/zinc/09/50/47/1120095047.db2.gz FNDFXJABTXRVRD-ARJAWSKDSA-N -1 3 348.815 2.772 20 30 EFEDHM COc1ccc(CC(=O)[N-]OCc2ccc(F)cc2C#N)cc1OC ZINC000112336323 1120253109 /nfs/dbraw/zinc/25/31/09/1120253109.db2.gz NFEMUPUWWFXMRR-UHFFFAOYSA-N -1 3 344.342 2.505 20 30 EFEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000185793354 1120624521 /nfs/dbraw/zinc/62/45/21/1120624521.db2.gz MWOCXMPKWQRKFL-UHFFFAOYSA-N -1 3 335.281 2.898 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]2C)C1 ZINC000945186942 1120658732 /nfs/dbraw/zinc/65/87/32/1120658732.db2.gz OPSQUGNKPLAIJL-GDBMZVCRSA-N -1 3 342.439 2.715 20 30 EFEDHM O=C(N=C1[N-]C(=O)CN1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000050222466 214051038 /nfs/dbraw/zinc/05/10/38/214051038.db2.gz XMJIJXQGHYGDNZ-UHFFFAOYSA-N -1 3 326.337 2.612 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccn(-c2ccccc2)n1 ZINC000053527291 214187467 /nfs/dbraw/zinc/18/74/67/214187467.db2.gz FYGDAJXNASGGHK-UHFFFAOYSA-N -1 3 331.339 2.689 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccn(-c2ccccc2)n1 ZINC000053527291 214187469 /nfs/dbraw/zinc/18/74/69/214187469.db2.gz FYGDAJXNASGGHK-UHFFFAOYSA-N -1 3 331.339 2.689 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccn(-c2ccccc2)n1 ZINC000053527291 214187472 /nfs/dbraw/zinc/18/74/72/214187472.db2.gz FYGDAJXNASGGHK-UHFFFAOYSA-N -1 3 331.339 2.689 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1C1CCCC1 ZINC000056034055 214354754 /nfs/dbraw/zinc/35/47/54/214354754.db2.gz KGWMKKAYVQKLNH-GOSISDBHSA-N -1 3 341.455 2.977 20 30 EFEDHM CCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000177606360 529612018 /nfs/dbraw/zinc/61/20/18/529612018.db2.gz SSAPHWFELHFRFT-CYBMUJFWSA-N -1 3 338.323 2.513 20 30 EFEDHM Cc1cc(=O)[n-]c([C@H](C)N2CCCN(c3ccccc3C#N)CC2)n1 ZINC000177921744 232033551 /nfs/dbraw/zinc/03/35/51/232033551.db2.gz IGAKCTSVXLTJQE-HNNXBMFYSA-N -1 3 337.427 2.636 20 30 EFEDHM CCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1OC ZINC000036714138 213112423 /nfs/dbraw/zinc/11/24/23/213112423.db2.gz BAXOXVMXLAWWIL-UHFFFAOYSA-N -1 3 330.266 2.867 20 30 EFEDHM CCOc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1OC ZINC000036714138 213112425 /nfs/dbraw/zinc/11/24/25/213112425.db2.gz BAXOXVMXLAWWIL-UHFFFAOYSA-N -1 3 330.266 2.867 20 30 EFEDHM CCN(Cc1cccs1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000072274751 216098714 /nfs/dbraw/zinc/09/87/14/216098714.db2.gz LQMIQKHKLDNPMF-UHFFFAOYSA-N -1 3 343.452 2.906 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2ccccc2C1 ZINC000106713201 219684752 /nfs/dbraw/zinc/68/47/52/219684752.db2.gz NYFQZMGNPYSWQG-UHFFFAOYSA-N -1 3 349.434 2.771 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2ccccc2n1 ZINC000072314788 216149378 /nfs/dbraw/zinc/14/93/78/216149378.db2.gz LCWBIEVTGCUIAU-UHFFFAOYSA-N -1 3 346.390 2.983 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1[O-] ZINC000188221860 239767626 /nfs/dbraw/zinc/76/76/26/239767626.db2.gz HDGQVXWDTPTJNG-MRXNPFEDSA-N -1 3 339.395 2.814 20 30 EFEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)c(F)cc1C ZINC000232102462 240234993 /nfs/dbraw/zinc/23/49/93/240234993.db2.gz MUEQBEILRPKBTO-MRVPVSSYSA-N -1 3 335.198 2.941 20 30 EFEDHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 ZINC000274563122 240725131 /nfs/dbraw/zinc/72/51/31/240725131.db2.gz KQIMDKNPJJFGFB-HXUWFJFHSA-N -1 3 349.390 2.532 20 30 EFEDHM C=C(C)CS(=O)(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000280588597 240875990 /nfs/dbraw/zinc/87/59/90/240875990.db2.gz NMZRFBMDBULLGR-UHFFFAOYSA-N -1 3 348.262 2.883 20 30 EFEDHM CCOCCOCc1cccc(C/N=C/c2ccc(O)c([O-])c2O)c1 ZINC000298677735 241157104 /nfs/dbraw/zinc/15/71/04/241157104.db2.gz VSHSMOAXYSVKBR-UDWIEESQSA-N -1 3 345.395 2.976 20 30 EFEDHM COc1ccc(CCC/N=C/c2ccc(O)c([O-])c2O)cc1OC ZINC000299242041 241169328 /nfs/dbraw/zinc/16/93/28/241169328.db2.gz KJGGIIKMQRBBKT-YBFXNURJSA-N -1 3 331.368 2.872 20 30 EFEDHM COCCCOc1ccccc1/N=C/c1c([O-])c(C)ncc1CO ZINC000299177492 241169960 /nfs/dbraw/zinc/16/99/60/241169960.db2.gz ZDCJKUOYJOFPLD-RGVLZGJSSA-N -1 3 330.384 2.754 20 30 EFEDHM C=CCOc1ccc(/C=C/C(=O)[N-]O[C@H]2CCCCO2)cc1OC ZINC000299484525 241179269 /nfs/dbraw/zinc/17/92/69/241179269.db2.gz AOICLIRBHCLYRL-LNENJAERSA-N -1 3 333.384 2.848 20 30 EFEDHM CCn1ccnc1[C@H](NC(=O)c1csc(=O)[n-]1)C1CCOCC1 ZINC000329179560 241322129 /nfs/dbraw/zinc/32/21/29/241322129.db2.gz MTZOZHUOUWKPIG-GFCCVEGCSA-N -1 3 336.417 2.538 20 30 EFEDHM CCCSc1nc(=NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)s[n-]1 ZINC000329448300 241373710 /nfs/dbraw/zinc/37/37/10/241373710.db2.gz OHJCIMODUOXXCH-GHMZBOCLSA-N -1 3 341.506 2.612 20 30 EFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000342657515 241782163 /nfs/dbraw/zinc/78/21/63/241782163.db2.gz LVPRWUMNHNFLSK-LBPRGKRZSA-N -1 3 337.228 2.590 20 30 EFEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000351113275 241898172 /nfs/dbraw/zinc/89/81/72/241898172.db2.gz XYHFXRCUEGIPSR-LBPRGKRZSA-N -1 3 337.228 2.590 20 30 EFEDHM N#CC1(CS(=O)(=O)[N-]Cc2nc(C3CC3)cs2)CCCCC1 ZINC000356497958 242073647 /nfs/dbraw/zinc/07/36/47/242073647.db2.gz ORGYONBGDNLOSX-UHFFFAOYSA-N -1 3 339.486 2.914 20 30 EFEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cn(CCC(C)C)nn3)[nH]c21 ZINC000355242125 242024147 /nfs/dbraw/zinc/02/41/47/242024147.db2.gz WNNCCZOXHIUSEE-ZDUSSCGKSA-N -1 3 336.399 2.999 20 30 EFEDHM COC(=O)c1cc(C)nc2nc(SCCC(C)(C)C#N)[n-]c(=O)c21 ZINC000361442802 242223820 /nfs/dbraw/zinc/22/38/20/242223820.db2.gz LQKRVSUPHMMRSV-UHFFFAOYSA-N -1 3 346.412 2.857 20 30 EFEDHM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1cc(C(F)(F)F)ccn1 ZINC000362119227 242243862 /nfs/dbraw/zinc/24/38/62/242243862.db2.gz QSTHMMPRPOBOCU-GFCCVEGCSA-N -1 3 333.269 2.689 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-][C@H](C#N)C(C)C)c(F)cc1Br ZINC000414461973 244177912 /nfs/dbraw/zinc/17/79/12/244177912.db2.gz XSRMKFGLFFTJAX-LLVKDONJSA-N -1 3 349.225 2.723 20 30 EFEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC2CCOCC2)c(C)c1 ZINC000416945311 244926632 /nfs/dbraw/zinc/92/66/32/244926632.db2.gz FFKCKXBBQAKYKZ-HNNXBMFYSA-N -1 3 338.429 2.597 20 30 EFEDHM CCc1ccc([O-])c(C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 ZINC000426807882 247300865 /nfs/dbraw/zinc/30/08/65/247300865.db2.gz JRQMVFXSOMXUOG-UHFFFAOYSA-N -1 3 333.351 2.659 20 30 EFEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1OC ZINC000426775123 247296995 /nfs/dbraw/zinc/29/69/95/247296995.db2.gz RKHANGMFELDIPU-GOSISDBHSA-N -1 3 343.379 2.881 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000428247078 247454699 /nfs/dbraw/zinc/45/46/99/247454699.db2.gz PHRSCHDPEYZNEG-CYBMUJFWSA-N -1 3 333.800 2.572 20 30 EFEDHM C#CCOc1ccc(F)cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000266057849 248068114 /nfs/dbraw/zinc/06/81/14/248068114.db2.gz HTDXMKCTBILOJZ-UHFFFAOYSA-N -1 3 343.358 2.521 20 30 EFEDHM N#CC(=C([O-])c1ccnn1CC(F)F)c1cnc2ccccc2n1 ZINC000434646689 248173614 /nfs/dbraw/zinc/17/36/14/248173614.db2.gz CKEFXXKWUFTYAN-SNVBAGLBSA-N -1 3 327.294 2.581 20 30 EFEDHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435429204 248239748 /nfs/dbraw/zinc/23/97/48/248239748.db2.gz WMYNHWAVOXFQTL-CABCVRRESA-N -1 3 348.449 2.853 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H](c1ccccc1)N(C)C 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348.399 2.752 20 30 EFEDHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443109491 250162127 /nfs/dbraw/zinc/16/21/27/250162127.db2.gz YXTFAZZKGLGYTI-LBPRGKRZSA-N -1 3 339.417 2.960 20 30 EFEDHM CCO[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(C)C ZINC000443334288 250187117 /nfs/dbraw/zinc/18/71/17/250187117.db2.gz SIJAVKPFHONIPP-CQSZACIVSA-N -1 3 344.864 2.941 20 30 EFEDHM C=C[C@H](C)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000443376676 250189831 /nfs/dbraw/zinc/18/98/31/250189831.db2.gz WJLRKWOWLFJTDC-VIFPVBQESA-N -1 3 325.411 2.541 20 30 EFEDHM C[C@@H]1CC([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C[C@@H](C)C1 ZINC000443250978 250176356 /nfs/dbraw/zinc/17/63/56/250176356.db2.gz WIWOUVPZEPIBGA-QWRGUYRKSA-N -1 3 337.401 2.569 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000443257232 250176635 /nfs/dbraw/zinc/17/66/35/250176635.db2.gz YDNQJSUNMGWGAZ-BBRMVZONSA-N -1 3 330.384 2.607 20 30 EFEDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000443306271 250182818 /nfs/dbraw/zinc/18/28/18/250182818.db2.gz FQJGKXFVDMGQBD-KSSFIOAISA-N -1 3 335.407 2.829 20 30 EFEDHM Cc1ncc(CNC(=O)c2cn(CCCC#N)c3ccccc23)c(=O)[n-]1 ZINC000444364234 250294330 /nfs/dbraw/zinc/29/43/30/250294330.db2.gz PRAHXXTXSMJWJS-UHFFFAOYSA-N -1 3 349.394 2.679 20 30 EFEDHM N#Cc1ccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)c(Cl)c1 ZINC000444530513 250308560 /nfs/dbraw/zinc/30/85/60/250308560.db2.gz BCKUGKOKVOYHCY-UHFFFAOYSA-N -1 3 341.798 2.880 20 30 EFEDHM C=CCC[C@H](CO)NCc1ccc(OC)c([O-])c1Br ZINC000449697633 251119518 /nfs/dbraw/zinc/11/95/18/251119518.db2.gz LGSBHGBBAPKSEL-LLVKDONJSA-N -1 3 330.222 2.580 20 30 EFEDHM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)OC ZINC000451674936 251645985 /nfs/dbraw/zinc/64/59/85/251645985.db2.gz AYHNLNDXAXPCQA-GWCFXTLKSA-N -1 3 330.837 2.551 20 30 EFEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)OCC ZINC000451991139 251747595 /nfs/dbraw/zinc/74/75/95/251747595.db2.gz KBSMXJMIJWGERE-GFCCVEGCSA-N -1 3 349.811 2.655 20 30 EFEDHM C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)C1 ZINC000329231784 296456238 /nfs/dbraw/zinc/45/62/38/296456238.db2.gz FMOXYPOMHUOYOV-ZHRONYKTSA-N -1 3 336.436 2.976 20 30 EFEDHM COc1cc(C(=O)N(CCC#N)Cc2ccco2)cc(OC)c1[O-] ZINC000162548629 533512209 /nfs/dbraw/zinc/51/22/09/533512209.db2.gz VJTLXRBMIJOCSY-UHFFFAOYSA-N -1 3 330.340 2.558 20 30 EFEDHM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000344902029 142095008 /nfs/dbraw/zinc/09/50/08/142095008.db2.gz IOHODAHIYBVGKJ-UHFFFAOYSA-N -1 3 344.864 2.943 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000349954661 142382847 /nfs/dbraw/zinc/38/28/47/142382847.db2.gz XSRPPSMYGAWKGQ-UHFFFAOYSA-N -1 3 336.756 2.741 20 30 EFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000341418175 145049138 /nfs/dbraw/zinc/04/91/38/145049138.db2.gz FRDGXEFGAUXYGR-HNNXBMFYSA-N -1 3 347.465 2.894 20 30 EFEDHM Cc1cnc([C@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000341418177 145049197 /nfs/dbraw/zinc/04/91/97/145049197.db2.gz FRDGXEFGAUXYGR-OAHLLOKOSA-N -1 3 347.465 2.894 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccon1 ZINC000342366881 145109458 /nfs/dbraw/zinc/10/94/58/145109458.db2.gz XPUSCBDAUROEOI-MRVPVSSYSA-N -1 3 345.302 2.605 20 30 EFEDHM Cc1ncc(CNC(=O)c2ccccc2-c2ccccc2C#N)c(=O)[n-]1 ZINC000345099880 145462390 /nfs/dbraw/zinc/46/23/90/145462390.db2.gz VFNHSBGDNAVRTL-UHFFFAOYSA-N -1 3 344.374 2.959 20 30 EFEDHM C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000355636174 147019270 /nfs/dbraw/zinc/01/92/70/147019270.db2.gz RBQFGUQTNZOTCC-LLVKDONJSA-N -1 3 335.816 2.516 20 30 EFEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cc(C#N)cs3)n2)cc1 ZINC000355731721 147047751 /nfs/dbraw/zinc/04/77/51/147047751.db2.gz SQQCQKBONYVRGY-UHFFFAOYSA-N -1 3 346.393 2.708 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC(=O)c3ccccc32)c1 ZINC000356581022 147282583 /nfs/dbraw/zinc/28/25/83/147282583.db2.gz QBMRADXHQCNZHY-CQSZACIVSA-N -1 3 346.795 2.818 20 30 EFEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000356660973 147302994 /nfs/dbraw/zinc/30/29/94/147302994.db2.gz DMKYBWHSYMSTFC-SSDOTTSWSA-N -1 3 326.727 2.688 20 30 EFEDHM COC1(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CCCC1 ZINC000359120136 148000587 /nfs/dbraw/zinc/00/05/87/148000587.db2.gz ZSBHGQFRJJOXQS-UHFFFAOYSA-N -1 3 342.399 2.860 20 30 EFEDHM CC(C)(C)CC[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000360530747 148385293 /nfs/dbraw/zinc/38/52/93/148385293.db2.gz VFEBZBWMUUGPMX-GFCCVEGCSA-N -1 3 344.864 2.677 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)s1 ZINC000373820801 151231553 /nfs/dbraw/zinc/23/15/53/151231553.db2.gz ZRCFAUXBUAEZMJ-GOEBONIOSA-N -1 3 348.449 2.818 20 30 EFEDHM Cc1cccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1[O-] ZINC000374453546 151350970 /nfs/dbraw/zinc/35/09/70/151350970.db2.gz UMAZHCWVZZUBQP-UHFFFAOYSA-N -1 3 332.363 2.892 20 30 EFEDHM COc1ccc(CC[C@](C)(NCc2cccc(C#N)n2)C(=O)[O-])cc1 ZINC000417589901 269776619 /nfs/dbraw/zinc/77/66/19/269776619.db2.gz QRAPNPDXKITPIO-IBGZPJMESA-N -1 3 339.395 2.528 20 30 EFEDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)cc2C)o1 ZINC000291610656 270024551 /nfs/dbraw/zinc/02/45/51/270024551.db2.gz BCOOFZRSYNEVQA-UHFFFAOYSA-N -1 3 333.413 2.594 20 30 EFEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1F ZINC000491495292 270031648 /nfs/dbraw/zinc/03/16/48/270031648.db2.gz IERXAPQDEOWHGU-ZDUSSCGKSA-N -1 3 338.747 2.597 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CC[C@@H](C)O2)no1 ZINC000528234021 270034828 /nfs/dbraw/zinc/03/48/28/270034828.db2.gz BVHLUQNLABEQGP-YMTOWFKASA-N -1 3 328.372 2.684 20 30 EFEDHM Cc1cccc(C)c1CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000532479183 270035633 /nfs/dbraw/zinc/03/56/33/270035633.db2.gz SQBZWUZXUFWDNJ-UHFFFAOYSA-N -1 3 332.400 2.835 20 30 EFEDHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000305225347 265814404 /nfs/dbraw/zinc/81/44/04/265814404.db2.gz YIMFUKLNMNVUDJ-GFCCVEGCSA-N -1 3 344.864 2.535 20 30 EFEDHM 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MWFJWNIOHOETGQ-CQSZACIVSA-N -1 3 345.424 2.782 20 30 EFEDHM CCOC[C@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000458079729 267140861 /nfs/dbraw/zinc/14/08/61/267140861.db2.gz PZJIWSBAGBAPJC-OAHLLOKOSA-N -1 3 345.443 2.626 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1c(C)noc1C ZINC000489673504 267196645 /nfs/dbraw/zinc/19/66/45/267196645.db2.gz NMCVMSPAQJNODG-CQSZACIVSA-N -1 3 337.376 2.732 20 30 EFEDHM Cc1ccc([O-])c(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 ZINC000511719277 268039999 /nfs/dbraw/zinc/03/99/99/268039999.db2.gz GUGGRSKFNSFKKC-UHFFFAOYSA-N -1 3 336.326 2.571 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000391012963 268099086 /nfs/dbraw/zinc/09/90/86/268099086.db2.gz AVODNNHAWNSCDG-SNVBAGLBSA-N -1 3 334.775 2.925 20 30 EFEDHM N#Cc1ccc(N2CCC[C@@H]([N-]c3nnc(C(F)F)s3)C2=O)cc1 ZINC000272414071 268112157 /nfs/dbraw/zinc/11/21/57/268112157.db2.gz CVIDAPJWPFLUJG-LLVKDONJSA-N -1 3 349.366 2.955 20 30 EFEDHM N#Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Br 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EFEDHM CO[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)(C)C ZINC000185005711 473298688 /nfs/dbraw/zinc/29/86/88/473298688.db2.gz NVMHABRKVJAXIX-ZDUSSCGKSA-N -1 3 330.837 2.551 20 30 EFEDHM N#Cc1cc(N2CC[C@@H](c3cc(=O)[n-]c(N)n3)C2)ccc1C(F)(F)F ZINC000600878715 468674590 /nfs/dbraw/zinc/67/45/90/468674590.db2.gz FLWUSQKNLVPYBB-SECBINFHSA-N -1 3 349.316 2.649 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000112836076 473319681 /nfs/dbraw/zinc/31/96/81/473319681.db2.gz KPGLWZVGMIFFDF-BWACUDIHSA-N -1 3 329.444 2.737 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCc3ccccc3C2)c(F)c1 ZINC000185147190 473343243 /nfs/dbraw/zinc/34/32/43/473343243.db2.gz AOAOXCDZRHQRDS-GOSISDBHSA-N -1 3 344.411 2.864 20 30 EFEDHM COc1ccc(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1O ZINC000096256285 473365985 /nfs/dbraw/zinc/36/59/85/473365985.db2.gz UYSSTHDSLZNIFM-OQFOIZHKSA-N -1 3 347.392 2.668 20 30 EFEDHM C=C(C)COc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000150854254 473366300 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EFEDHM O=C(COCCOc1ccccc1)Nc1nc(-c2ccco2)n[n-]1 ZINC000076462109 472350854 /nfs/dbraw/zinc/35/08/54/472350854.db2.gz IVTUBXHBQHOODF-UHFFFAOYSA-N -1 3 328.328 2.748 20 30 EFEDHM O=C(COCCOc1ccccc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000076462109 472350858 /nfs/dbraw/zinc/35/08/58/472350858.db2.gz IVTUBXHBQHOODF-UHFFFAOYSA-N -1 3 328.328 2.748 20 30 EFEDHM COc1cc(F)c([N-]S(=O)(=O)c2cccc(C#N)c2)cc1OC ZINC000069534600 472366194 /nfs/dbraw/zinc/36/61/94/472366194.db2.gz DQYJOMQCESWUDQ-UHFFFAOYSA-N -1 3 336.344 2.515 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000045082273 472371876 /nfs/dbraw/zinc/37/18/76/472371876.db2.gz PZMQGQBNLIUBTD-PXAZEXFGSA-N -1 3 329.444 2.833 20 30 EFEDHM C=CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000154220340 472404312 /nfs/dbraw/zinc/40/43/12/472404312.db2.gz RJSLBZMBRGQGBW-UHFFFAOYSA-N -1 3 348.399 2.885 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000045528776 472420130 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346.394 2.752 20 30 EFEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1Cc1ccc(F)cc1 ZINC000192505694 473687228 /nfs/dbraw/zinc/68/72/28/473687228.db2.gz WWMPNBHDBQUSNL-OAHLLOKOSA-N -1 3 335.342 2.659 20 30 EFEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000186581330 473693468 /nfs/dbraw/zinc/69/34/68/473693468.db2.gz SRRHSFNXAARNKX-XHDPSFHLSA-N -1 3 337.832 2.962 20 30 EFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000281534119 473756344 /nfs/dbraw/zinc/75/63/44/473756344.db2.gz WJZARCHXWBZCRL-QMMMGPOBSA-N -1 3 337.626 2.683 20 30 EFEDHM CC(C)(C#N)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186894176 473777289 /nfs/dbraw/zinc/77/72/89/473777289.db2.gz OIEGMMAHXPNVOD-UHFFFAOYSA-N -1 3 326.312 2.749 20 30 EFEDHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000180037907 473783220 /nfs/dbraw/zinc/78/32/20/473783220.db2.gz WZOKOSQUZPRIDX-UHFFFAOYSA-N -1 3 341.845 2.709 20 30 EFEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000274388980 473802975 /nfs/dbraw/zinc/80/29/75/473802975.db2.gz SBWVREYSAPEPDG-ZDUSSCGKSA-N -1 3 345.808 2.855 20 30 EFEDHM COc1cc2c(cc1C/N=C/c1c([O-])c(C)ncc1CO)O[C@@H](C)C2 ZINC000269464241 473819542 /nfs/dbraw/zinc/81/95/42/473819542.db2.gz SJRRHIMMRGDBIZ-QQZXWGPFSA-N -1 3 342.395 2.539 20 30 EFEDHM CCCCCCCCOCC(=O)[N-]c1nncn1-c1cccnc1 ZINC000288057601 473837651 /nfs/dbraw/zinc/83/76/51/473837651.db2.gz NGZNDXPEYPURCD-UHFFFAOYSA-N -1 3 331.420 2.978 20 30 EFEDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc(C#N)c2)on1 ZINC000173493441 473854553 /nfs/dbraw/zinc/85/45/53/473854553.db2.gz KVODPOGRJZLBFZ-UHFFFAOYSA-N -1 3 333.413 2.928 20 30 EFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000281938674 473890293 /nfs/dbraw/zinc/89/02/93/473890293.db2.gz INZVZPIMDNXFFG-SSDOTTSWSA-N -1 3 337.626 2.683 20 30 EFEDHM CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000269869292 473901916 /nfs/dbraw/zinc/90/19/16/473901916.db2.gz UBJSZOBZTCBNDL-GFCCVEGCSA-N -1 3 344.864 2.535 20 30 EFEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000282034393 473924837 /nfs/dbraw/zinc/92/48/37/473924837.db2.gz RTCAARMSADUMPQ-UHFFFAOYSA-N -1 3 349.283 2.922 20 30 EFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000173742644 473924536 /nfs/dbraw/zinc/92/45/36/473924536.db2.gz QRRNVRIUXRKUIL-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM COc1ccc(CN(CCC#N)CCC#N)c(Br)c1[O-] ZINC000274813950 473969800 /nfs/dbraw/zinc/96/98/00/473969800.db2.gz FBUIBHQBGGSLEG-UHFFFAOYSA-N -1 3 338.205 2.793 20 30 EFEDHM COC(=O)CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000264346138 473960573 /nfs/dbraw/zinc/96/05/73/473960573.db2.gz DZKZOWWTOZEVAB-RYFGYPJOSA-N -1 3 342.395 2.701 20 30 EFEDHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000274831117 473978493 /nfs/dbraw/zinc/97/84/93/473978493.db2.gz ZIVWMQCIRLLNIE-TZMCWYRMSA-N -1 3 342.848 2.694 20 30 EFEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000188099913 473981422 /nfs/dbraw/zinc/98/14/22/473981422.db2.gz FSDLEQOEKMCARC-JTQLQIEISA-N -1 3 328.821 2.709 20 30 EFEDHM N#CC(Cn1[n-]c(C(F)(F)F)cc1=O)C(=O)Nc1ccc(F)cc1 ZINC000181293386 474024256 /nfs/dbraw/zinc/02/42/56/474024256.db2.gz YNVLLSFPDRESTE-MRVPVSSYSA-N -1 3 342.252 2.525 20 30 EFEDHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000188293797 474047663 /nfs/dbraw/zinc/04/76/63/474047663.db2.gz QFOZCAOFYALMSX-UHFFFAOYSA-N -1 3 342.848 2.695 20 30 EFEDHM C=CCNC(=O)Nc1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1 ZINC000181857799 474065727 /nfs/dbraw/zinc/06/57/27/474065727.db2.gz UAMUVWSKBVZQJA-FPYGCLRLSA-N -1 3 338.367 2.747 20 30 EFEDHM CCOC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(C)C ZINC000188391380 474078722 /nfs/dbraw/zinc/07/87/22/474078722.db2.gz NOZGYGDLTDBEDI-ZDUSSCGKSA-N -1 3 330.837 2.551 20 30 EFEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cc(F)ccc1[O-] ZINC000174889595 474113087 /nfs/dbraw/zinc/11/30/87/474113087.db2.gz UURCNLFBNCDZQB-UHFFFAOYSA-N -1 3 330.363 2.830 20 30 EFEDHM C=CC[C@@H](C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182711488 474239488 /nfs/dbraw/zinc/23/94/88/474239488.db2.gz FSHCGEGNUHPINO-SNVBAGLBSA-N -1 3 329.356 2.635 20 30 EFEDHM CSCCON=C([O-])Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283106095 474304608 /nfs/dbraw/zinc/30/46/08/474304608.db2.gz XADDWEAGEBPZMT-UHFFFAOYSA-N -1 3 335.307 2.873 20 30 EFEDHM CSCCO[N-]C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000283106095 474304614 /nfs/dbraw/zinc/30/46/14/474304614.db2.gz XADDWEAGEBPZMT-UHFFFAOYSA-N -1 3 335.307 2.873 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c(Cl)c1 ZINC000183474447 474383785 /nfs/dbraw/zinc/38/37/85/474383785.db2.gz GJJSGHSJLVZLNE-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1CCCC1 ZINC000283425236 474399386 /nfs/dbraw/zinc/39/93/86/474399386.db2.gz BWWMECFKLQGUNU-UHFFFAOYSA-N -1 3 329.219 2.542 20 30 EFEDHM Cc1ccc(N2CCC[C@H](/N=C/c3c([O-])c(C)ncc3CO)C2)cc1 ZINC000265984019 474412822 /nfs/dbraw/zinc/41/28/22/474412822.db2.gz CFOIJKOBAQIUHI-CBVHTYNASA-N -1 3 339.439 2.984 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]CCCCC#N)c(Cl)c1Cl ZINC000266138336 474420267 /nfs/dbraw/zinc/42/02/67/474420267.db2.gz HFLFBNCJSBBVGO-UHFFFAOYSA-N -1 3 337.228 2.974 20 30 EFEDHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCCC#N)s1 ZINC000266212005 474426032 /nfs/dbraw/zinc/42/60/32/474426032.db2.gz VDRUKVFLVITJBL-UHFFFAOYSA-N -1 3 337.264 2.791 20 30 EFEDHM COc1cccc(F)c1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000184510360 474532154 /nfs/dbraw/zinc/53/21/54/474532154.db2.gz WLUJWQRGDHBYSP-UHFFFAOYSA-N -1 3 343.358 2.582 20 30 EFEDHM C=CCCO[C@H](C)C(=O)Nc1[n-]c(CCCC)nc1C(=O)OCC ZINC000276711591 474569279 /nfs/dbraw/zinc/56/92/79/474569279.db2.gz ADGUYLWTDMQZPJ-GFCCVEGCSA-N -1 3 337.420 2.849 20 30 EFEDHM C=CCCO[C@H](C)C(=O)Nc1nc(CCCC)[n-]c1C(=O)OCC ZINC000276711591 474569286 /nfs/dbraw/zinc/56/92/86/474569286.db2.gz ADGUYLWTDMQZPJ-GFCCVEGCSA-N -1 3 337.420 2.849 20 30 EFEDHM Cc1cc(C/N=C/c2ccc(O)c([O-])c2O)cc(N2CCCC2)n1 ZINC000290435860 474572111 /nfs/dbraw/zinc/57/21/11/474572111.db2.gz CDVUWXQCCHZNOZ-YBFXNURJSA-N -1 3 327.384 2.726 20 30 EFEDHM Cc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2C#N)C2CC2)cc1 ZINC000277094016 474578470 /nfs/dbraw/zinc/57/84/70/474578470.db2.gz VWCQESLELXRCJZ-KRWDZBQOSA-N -1 3 327.409 2.691 20 30 EFEDHM C=CCOc1cccc(CN[C@H](CC(=O)OC(C)(C)C)C(=O)[O-])c1 ZINC000277212186 474579543 /nfs/dbraw/zinc/57/95/43/474579543.db2.gz HIIBKVGXKXAAGR-OAHLLOKOSA-N -1 3 335.400 2.526 20 30 EFEDHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000190376836 474591625 /nfs/dbraw/zinc/59/16/25/474591625.db2.gz KULCGYZYMZBHAP-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM CCCOc1ccc(/C=N/Cc2ncccc2S(C)(=O)=O)c([O-])c1 ZINC000278180396 474602413 /nfs/dbraw/zinc/60/24/13/474602413.db2.gz FCUTVZBVTRZCRS-WOJGMQOQSA-N -1 3 348.424 2.599 20 30 EFEDHM CCc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)ccc1[O-] ZINC000291442001 474603257 /nfs/dbraw/zinc/60/32/57/474603257.db2.gz KQWRFHDIKOYEJK-LJQANCHMSA-N -1 3 349.434 2.977 20 30 EFEDHM COCC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccc(C)o1 ZINC000272143237 474603253 /nfs/dbraw/zinc/60/32/53/474603253.db2.gz KOJIIBLCVQGHIV-HNNXBMFYSA-N -1 3 348.424 2.824 20 30 EFEDHM C=CCN1CC[C@H](N(C)Cc2cc([O-])cc(C(F)(F)F)c2)C1=O ZINC000291485646 474604883 /nfs/dbraw/zinc/60/48/83/474604883.db2.gz GCOXRRRVJOMJEX-AWEZNQCLSA-N -1 3 328.334 2.630 20 30 EFEDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184775465 474605039 /nfs/dbraw/zinc/60/50/39/474605039.db2.gz CUHTWMRBDSTSQM-LBPRGKRZSA-N -1 3 330.837 2.695 20 30 EFEDHM COCC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccco1 ZINC000272440387 474611814 /nfs/dbraw/zinc/61/18/14/474611814.db2.gz QUQYNNAJYJAPNV-AWEZNQCLSA-N -1 3 334.397 2.516 20 30 EFEDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C)c1ccco1 ZINC000272433522 474611886 /nfs/dbraw/zinc/61/18/86/474611886.db2.gz PNSYHVRPJHZHOL-CQSZACIVSA-N -1 3 334.397 2.516 20 30 EFEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1C ZINC000272462685 474613156 /nfs/dbraw/zinc/61/31/56/474613156.db2.gz QXLOOQLTAMOLJS-HNNXBMFYSA-N -1 3 339.417 2.818 20 30 EFEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NC(=O)CCCC#N)ccc1F ZINC000291579233 474623355 /nfs/dbraw/zinc/62/33/55/474623355.db2.gz WEIOELOEMKBCBJ-UHFFFAOYSA-N -1 3 341.408 2.535 20 30 EFEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C ZINC000278427224 474641641 /nfs/dbraw/zinc/64/16/41/474641641.db2.gz YNISWVCPLQOHIQ-CQSZACIVSA-N -1 3 330.837 2.955 20 30 EFEDHM COCCc1nc2cc(/N=C/c3c([O-])c(C)ncc3CO)ccc2o1 ZINC000267824120 474681917 /nfs/dbraw/zinc/68/19/17/474681917.db2.gz YHUQPDKEAAMPAU-AWQFTUOYSA-N -1 3 341.367 2.669 20 30 EFEDHM N#CCn1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000609160850 480120586 /nfs/dbraw/zinc/12/05/86/480120586.db2.gz DRIHVPOZBVVGDS-UHFFFAOYSA-N -1 3 343.350 2.597 20 30 EFEDHM N#CCn1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc2ccccc21 ZINC000609160850 480120588 /nfs/dbraw/zinc/12/05/88/480120588.db2.gz DRIHVPOZBVVGDS-UHFFFAOYSA-N -1 3 343.350 2.597 20 30 EFEDHM CC[C@@H]1C[C@]1([N-]S(=O)(=O)c1cccnc1C#N)c1cccc(C)c1 ZINC000337114878 474711742 /nfs/dbraw/zinc/71/17/42/474711742.db2.gz GRCRIVJLFFVEQN-RDTXWAMCSA-N -1 3 341.436 2.865 20 30 EFEDHM N#CCn1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc2ccccc21 ZINC000609166285 480121661 /nfs/dbraw/zinc/12/16/61/480121661.db2.gz QDPFGFVTUHNTRY-UHFFFAOYSA-N -1 3 343.350 2.597 20 30 EFEDHM N#CCn1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc2ccccc21 ZINC000609166285 480121663 /nfs/dbraw/zinc/12/16/63/480121663.db2.gz QDPFGFVTUHNTRY-UHFFFAOYSA-N -1 3 343.350 2.597 20 30 EFEDHM N#CCn1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc2ccccc21 ZINC000609166285 480121667 /nfs/dbraw/zinc/12/16/67/480121667.db2.gz QDPFGFVTUHNTRY-UHFFFAOYSA-N -1 3 343.350 2.597 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1OC(F)F ZINC000337127915 474720866 /nfs/dbraw/zinc/72/08/66/474720866.db2.gz JOXHEWFWTGPZHZ-VXGBXAGGSA-N -1 3 348.346 2.526 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1Cl ZINC000305241192 474721496 /nfs/dbraw/zinc/72/14/96/474721496.db2.gz BFNIPAKNVROTSU-UHFFFAOYSA-N -1 3 340.763 2.644 20 30 EFEDHM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000344634764 474772969 /nfs/dbraw/zinc/77/29/69/474772969.db2.gz MSQCHQAIKKLSTJ-OAHLLOKOSA-N -1 3 329.363 2.991 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4nsnc4c3)nc1-2 ZINC000344625182 474773485 /nfs/dbraw/zinc/77/34/85/474773485.db2.gz LQQGAGGULWPNNH-JTQLQIEISA-N -1 3 334.364 2.761 20 30 EFEDHM C=CCCCC[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000344660454 474775474 /nfs/dbraw/zinc/77/54/74/474775474.db2.gz DFLVROYJBIKSAF-UHFFFAOYSA-N -1 3 343.246 2.955 20 30 EFEDHM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000305887019 474804912 /nfs/dbraw/zinc/80/49/12/474804912.db2.gz YPPOREVWKVRWEO-CQSZACIVSA-N -1 3 344.864 2.533 20 30 EFEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2sccc2F)cc1 ZINC000338987077 474807634 /nfs/dbraw/zinc/80/76/34/474807634.db2.gz ZNKOEBFTDKUVLK-UHFFFAOYSA-N -1 3 327.402 2.931 20 30 EFEDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)CCC#N ZINC000344996048 474823830 /nfs/dbraw/zinc/82/38/30/474823830.db2.gz MURUZANLNTUXAH-UHFFFAOYSA-N -1 3 330.837 2.957 20 30 EFEDHM COCC1(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCC1 ZINC000339009447 474830213 /nfs/dbraw/zinc/83/02/13/474830213.db2.gz DTZHPMYHZRJKIM-UHFFFAOYSA-N -1 3 342.848 2.697 20 30 EFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000284958068 474842455 /nfs/dbraw/zinc/84/24/55/474842455.db2.gz BVVWBTTUIFEHOJ-LLVKDONJSA-N -1 3 338.376 2.629 20 30 EFEDHM CSC[C@@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000292092542 474843316 /nfs/dbraw/zinc/84/33/16/474843316.db2.gz FNWCIUVEDYZWKU-CQSZACIVSA-N -1 3 347.484 2.810 20 30 EFEDHM C[C@@H](CON=C([O-])Nc1ccc(CC#N)cc1)NC(=O)OC(C)(C)C ZINC000273330289 474845554 /nfs/dbraw/zinc/84/55/54/474845554.db2.gz NKVRAUACAHAZJE-LBPRGKRZSA-N -1 3 348.403 2.719 20 30 EFEDHM C[C@@H](CO[N-]C(=O)Nc1ccc(CC#N)cc1)NC(=O)OC(C)(C)C ZINC000273330289 474845568 /nfs/dbraw/zinc/84/55/68/474845568.db2.gz NKVRAUACAHAZJE-LBPRGKRZSA-N -1 3 348.403 2.719 20 30 EFEDHM CC1CCN(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)CC1 ZINC000340988942 474852887 /nfs/dbraw/zinc/85/28/87/474852887.db2.gz 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EFEDHM CN1CCN(CCOc2ccc(-c3ccc(C#N)cc3[O-])cc2)CC1 ZINC000600778804 478517469 /nfs/dbraw/zinc/51/74/69/478517469.db2.gz HYWVACVGHGUESS-UHFFFAOYSA-N -1 3 337.423 2.557 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C1CCC1 ZINC000591327337 478523840 /nfs/dbraw/zinc/52/38/40/478523840.db2.gz BHRXKBJCJOWHMN-VIFPVBQESA-N -1 3 343.246 2.788 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C1CCOCC1 ZINC000594755595 478532089 /nfs/dbraw/zinc/53/20/89/478532089.db2.gz ORWGBSFZZCNVCL-UHFFFAOYSA-N -1 3 336.438 2.539 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCSC1 ZINC000594760174 478534775 /nfs/dbraw/zinc/53/47/75/478534775.db2.gz SYHPVZYYAFOCHC-NSHDSACASA-N -1 3 338.479 2.865 20 30 EFEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)CCCO ZINC000594761741 478534861 /nfs/dbraw/zinc/53/48/61/478534861.db2.gz WLVPWSPVRZKPSW-JTQLQIEISA-N -1 3 338.454 2.521 20 30 EFEDHM C=CCOc1ccc(/C=C\C(=O)[N-]O[C@@H]2CCCCO2)cc1OC ZINC000491398033 478534812 /nfs/dbraw/zinc/53/48/12/478534812.db2.gz 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N#CCCn1cc(/C=C\C(=O)NCc2ncccc2[O-])c2ccccc21 ZINC000491961172 478755852 /nfs/dbraw/zinc/75/58/52/478755852.db2.gz HVVOTDSTZNSJID-HJWRWDBZSA-N -1 3 346.390 2.985 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000595399143 478763148 /nfs/dbraw/zinc/76/31/48/478763148.db2.gz GSPDAPJLQGIDNP-UHFFFAOYSA-N -1 3 329.393 2.635 20 30 EFEDHM COC(=O)Nc1ccc(C(=O)OCc2ccccc2C#N)cc1[O-] ZINC000492043935 478798518 /nfs/dbraw/zinc/79/85/18/478798518.db2.gz FVKHXCHSFQPKMC-UHFFFAOYSA-N -1 3 326.308 2.799 20 30 EFEDHM CCc1cnc(C[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)s1 ZINC000601358217 478799953 /nfs/dbraw/zinc/79/99/53/478799953.db2.gz FOVHBKUFBLIFNC-UHFFFAOYSA-N -1 3 339.417 2.503 20 30 EFEDHM Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000601375098 478810199 /nfs/dbraw/zinc/81/01/99/478810199.db2.gz ROZLKQUMKQEGQJ-LBPRGKRZSA-N -1 3 332.347 2.862 20 30 EFEDHM CCc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2C)n1 ZINC000601442935 478833935 /nfs/dbraw/zinc/83/39/35/478833935.db2.gz 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CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3scnc3C)sc2C1 ZINC000598889032 479074013 /nfs/dbraw/zinc/07/40/13/479074013.db2.gz SOVWMXDXRNIKEA-UHFFFAOYSA-N -1 3 346.437 2.542 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC000601963406 479098170 /nfs/dbraw/zinc/09/81/70/479098170.db2.gz SWGHZWOOHMHXJN-ZDUSSCGKSA-N -1 3 349.387 2.984 20 30 EFEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(CC#N)cc1Cl)C1CC1 ZINC000566973593 479100315 /nfs/dbraw/zinc/10/03/15/479100315.db2.gz LRXLKXREDPPACI-AWEZNQCLSA-N -1 3 328.821 2.573 20 30 EFEDHM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1(C)C ZINC000547331352 479110076 /nfs/dbraw/zinc/11/00/76/479110076.db2.gz VXDXPCNYPUNLJY-CABCVRRESA-N -1 3 340.420 2.568 20 30 EFEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000568972924 479133155 /nfs/dbraw/zinc/13/31/55/479133155.db2.gz OPDFKHCERCXBKJ-VIFPVBQESA-N -1 3 338.763 2.912 20 30 EFEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC000602172184 479216198 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CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000619548258 479825020 /nfs/dbraw/zinc/82/50/20/479825020.db2.gz XIISXWKIUZRNFG-UHFFFAOYSA-N -1 3 328.459 2.634 20 30 EFEDHM Cc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)nc1 ZINC000616113899 479828902 /nfs/dbraw/zinc/82/89/02/479828902.db2.gz JSNPEFPNTUEGLM-UHFFFAOYSA-N -1 3 338.411 2.570 20 30 EFEDHM C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000616176348 479843869 /nfs/dbraw/zinc/84/38/69/479843869.db2.gz HKXQNCXMCVXAKJ-AUUYWEPGSA-N -1 3 335.407 2.514 20 30 EFEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cccnc1OCC(F)F ZINC000625289647 479852045 /nfs/dbraw/zinc/85/20/45/479852045.db2.gz JDNMWYHGGQQOIZ-UHFFFAOYSA-N -1 3 334.388 2.749 20 30 EFEDHM C[C@@H](C#N)CN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000609577155 480178619 /nfs/dbraw/zinc/17/86/19/480178619.db2.gz RUVKHHKQFCPADC-VIFPVBQESA-N -1 3 348.200 2.522 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1Cc2ccccc2C1 ZINC000609755865 480201516 /nfs/dbraw/zinc/20/15/16/480201516.db2.gz 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C=CCN(C(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000647742029 481084480 /nfs/dbraw/zinc/08/44/80/481084480.db2.gz XNHXEZFANVWQII-FQEVSTJZSA-N -1 3 349.390 2.574 20 30 EFEDHM C=CCN(C(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000647742030 481084921 /nfs/dbraw/zinc/08/49/21/481084921.db2.gz XNHXEZFANVWQII-HXUWFJFHSA-N -1 3 349.390 2.574 20 30 EFEDHM C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000646198110 481154010 /nfs/dbraw/zinc/15/40/10/481154010.db2.gz BLMURZAWSFDGET-CHWSQXEVSA-N -1 3 331.416 2.635 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)CCCC(=O)N3)nc(C)n1 ZINC000642282566 481187333 /nfs/dbraw/zinc/18/73/33/481187333.db2.gz GJXZZOTWDCLNBN-HNNXBMFYSA-N -1 3 334.379 2.858 20 30 EFEDHM CO[C@H](C)CS(=O)(=O)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000669820715 481322638 /nfs/dbraw/zinc/32/26/38/481322638.db2.gz UXEQKKZIIVMEBO-CYBMUJFWSA-N -1 3 335.450 2.925 20 30 EFEDHM C=CCC1(CNC(=O)N=c2[n-]n(C)cc2Br)CCCC1 ZINC000640315111 481913178 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528492939 /nfs/dbraw/zinc/49/29/39/528492939.db2.gz JXEOXQGXODXPPQ-UHFFFAOYSA-N -1 3 342.848 2.695 20 30 EFEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000160872519 529270026 /nfs/dbraw/zinc/27/00/26/529270026.db2.gz DGPLTGITJGBSMK-QMMMGPOBSA-N -1 3 326.727 2.939 20 30 EFEDHM CC[C@@H]1CCC[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000129359392 529314374 /nfs/dbraw/zinc/31/43/74/529314374.db2.gz FBXDWDYWROJGJZ-CABCVRRESA-N -1 3 329.444 2.881 20 30 EFEDHM CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccccc2[O-])C1=O ZINC000298064739 534988785 /nfs/dbraw/zinc/98/87/85/534988785.db2.gz BUYKSURFLQNZNY-SFHVURJKSA-N -1 3 347.415 2.708 20 30 EFEDHM CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000263402987 535861326 /nfs/dbraw/zinc/86/13/26/535861326.db2.gz ITPDPMUUDKWZMA-UHFFFAOYSA-N -1 3 337.423 2.820 20 30 EFEDHM CNC(=O)c1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000362129376 536437511 /nfs/dbraw/zinc/43/75/11/536437511.db2.gz LVYPERALGZUSJX-ZDUSSCGKSA-N -1 3 347.296 2.950 20 30 EFEDHM 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CC(CC1CCC1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000758374753 575868025 /nfs/dbraw/zinc/86/80/25/575868025.db2.gz HYRSFSQHAIJVSM-UHFFFAOYSA-N -1 3 325.390 2.580 20 30 EFEDHM CCO[C@@H]1COCC[C@H]1/N=C\c1cc(Br)ccc1[O-] ZINC000758815377 575877823 /nfs/dbraw/zinc/87/78/23/575877823.db2.gz KRIILNLFMVXMMK-JBAHZQCYSA-N -1 3 328.206 2.768 20 30 EFEDHM COc1cc(Cl)cc(C=NNCCC(=O)OC(C)(C)C)c1[O-] ZINC000758884927 575879415 /nfs/dbraw/zinc/87/94/15/575879415.db2.gz QEWOEXMXIFMRDB-UHFFFAOYSA-N -1 3 328.796 2.710 20 30 EFEDHM COc1cccc([O-])c1C=Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000759116293 575884885 /nfs/dbraw/zinc/88/48/85/575884885.db2.gz NMCAIIAGUWNLEP-UHFFFAOYSA-N -1 3 337.372 2.835 20 30 EFEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000759201483 575886843 /nfs/dbraw/zinc/88/68/43/575886843.db2.gz IYCNYZJMLWHMFF-UHFFFAOYSA-N -1 3 345.468 2.986 20 30 EFEDHM CC(Cc1cccc(F)c1)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000759204210 575886973 /nfs/dbraw/zinc/88/69/73/575886973.db2.gz 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/nfs/dbraw/zinc/21/41/59/576214159.db2.gz CZOMUKCMCWDBLV-UHFFFAOYSA-N -1 3 335.454 2.517 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000762556852 576313069 /nfs/dbraw/zinc/31/30/69/576313069.db2.gz YITDPCVCSHKIIY-SNVBAGLBSA-N -1 3 341.795 2.998 20 30 EFEDHM CC1=CC(=O)C(=C([O-])C=Cc2nc(C(C)C)n3ccccc23)C(=O)O1 ZINC000762601515 576316798 /nfs/dbraw/zinc/31/67/98/576316798.db2.gz BDFWJSOGJBAING-IWAYRVGRSA-N -1 3 338.363 2.686 20 30 EFEDHM Cc1cc([O-])c(C(=O)C=Cc2nc(C(C)C)n3ccccc23)c(=O)o1 ZINC000762601515 576316799 /nfs/dbraw/zinc/31/67/99/576316799.db2.gz BDFWJSOGJBAING-IWAYRVGRSA-N -1 3 338.363 2.686 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nccc2ccncc21 ZINC000763322751 576372552 /nfs/dbraw/zinc/37/25/52/576372552.db2.gz BRHDPJFHYJBICB-UHFFFAOYSA-N -1 3 347.378 2.790 20 30 EFEDHM Cn1ncc2c1nc(N=NC1C[C@H]3CCCc4cccc1c43)[n-]c2=O ZINC000763362217 576374210 /nfs/dbraw/zinc/37/42/10/576374210.db2.gz BZDVEDNWYHQWJK-LLVKDONJSA-N -1 3 334.383 2.709 20 30 EFEDHM C#CC[C@@]1(C(=O)Nc2ncccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000764663448 576486874 /nfs/dbraw/zinc/48/68/74/576486874.db2.gz HLCLRYRCGLFHCH-SFHVURJKSA-N -1 3 345.399 2.519 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc3cc[nH]c3n2)c1 ZINC000764762362 576499946 /nfs/dbraw/zinc/49/99/46/576499946.db2.gz SQBJIOUUXWAMQH-AWEZNQCLSA-N -1 3 334.335 2.533 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc2cc[nH]c2n1 ZINC000764763799 576500443 /nfs/dbraw/zinc/50/04/43/576500443.db2.gz WSJVBZWCPBZQKF-CYBMUJFWSA-N -1 3 348.362 2.923 20 30 EFEDHM COc1cc(CN=Nc2ncnc3ccsc32)c([N+](=O)[O-])cc1[O-] ZINC000764841625 576510626 /nfs/dbraw/zinc/51/06/26/576510626.db2.gz SBWJRMSFLZDHPV-UHFFFAOYSA-N -1 3 345.340 2.760 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCc3cn(C(C)C)nc32)c1[O-] ZINC000764887512 576517838 /nfs/dbraw/zinc/51/78/38/576517838.db2.gz NLZDMRNSGDICRY-YSNFCQRUSA-N -1 3 328.416 2.862 20 30 EFEDHM C=CCCC[C@H](C)OC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000765486767 577046229 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PZTVFTNYCVFMHJ-UHFFFAOYSA-N -1 3 341.238 2.660 20 30 EFEDHM N#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000737675434 577330239 /nfs/dbraw/zinc/33/02/39/577330239.db2.gz PDITZPBWQHTVOO-AWEZNQCLSA-N -1 3 338.758 2.515 20 30 EFEDHM N#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000737675434 577330241 /nfs/dbraw/zinc/33/02/41/577330241.db2.gz PDITZPBWQHTVOO-AWEZNQCLSA-N -1 3 338.758 2.515 20 30 EFEDHM COC(=O)N1CCC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000726428848 577364387 /nfs/dbraw/zinc/36/43/87/577364387.db2.gz HOPLQDPVWLYWMO-VJMCZWTHSA-N -1 3 341.205 2.804 20 30 EFEDHM O=S(=O)(c1ccc(NN=Cc2ccccc2[O-])cc1)C(F)F ZINC000726426526 577365417 /nfs/dbraw/zinc/36/54/17/577365417.db2.gz SMRVCKIVFTYFFM-UHFFFAOYSA-N -1 3 326.324 2.835 20 30 EFEDHM O=c1c2ccccc2ncn1N=Cc1cc([O-])ccc1Br ZINC000769797991 577385789 /nfs/dbraw/zinc/38/57/89/577385789.db2.gz ZUNWRXDJSIGJRS-UHFFFAOYSA-N -1 3 344.168 2.747 20 30 EFEDHM CC(N=Nc1nc2c(cnn2C(C)(C)C)c(=O)[n-]1)c1ccncc1 ZINC000769806664 577386730 /nfs/dbraw/zinc/38/67/30/577386730.db2.gz AKPNELUYBRMCGY-UHFFFAOYSA-N -1 3 325.376 2.518 20 30 EFEDHM Cn1ncc2c1nc(N=NCc1ccc(Cl)c(Cl)c1)[n-]c2=O ZINC000769809048 577386971 /nfs/dbraw/zinc/38/69/71/577386971.db2.gz RIWCYFVXGZUMGY-UHFFFAOYSA-N -1 3 337.170 2.822 20 30 EFEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(F)c(Cl)c1 ZINC000769820122 577387743 /nfs/dbraw/zinc/38/77/43/577387743.db2.gz XUCHQDMUZUDJAX-UHFFFAOYSA-N -1 3 334.742 2.698 20 30 EFEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(N(C)C)c(F)c3)nc1-2 ZINC000770138699 577403982 /nfs/dbraw/zinc/40/39/82/577403982.db2.gz OKKSLAPDRSIZHB-LBPRGKRZSA-N -1 3 337.358 2.962 20 30 EFEDHM C=CCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000770276829 577409617 /nfs/dbraw/zinc/40/96/17/577409617.db2.gz OYOUOLJVFXKSNG-UHFFFAOYSA-N -1 3 331.821 2.761 20 30 EFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000770377554 577413785 /nfs/dbraw/zinc/41/37/85/577413785.db2.gz ZORHFMQKARUSMC-SNVBAGLBSA-N -1 3 326.468 2.870 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCCc2nc3c(s2)CCCC3)c1[O-] ZINC000727061626 577432357 /nfs/dbraw/zinc/43/23/57/577432357.db2.gz OBZVIDCUFRBIDV-VXLYETTFSA-N -1 3 345.468 2.975 20 30 EFEDHM Cc1cnc([C@@H](C)OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000770925038 581151762 /nfs/dbraw/zinc/15/17/62/581151762.db2.gz CGKWLWQSMOXZIC-GFCCVEGCSA-N -1 3 329.356 2.809 20 30 EFEDHM N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c([O-])cccc1F ZINC000772575960 581342411 /nfs/dbraw/zinc/34/24/11/581342411.db2.gz BJRPFPDXEVXDAC-UHFFFAOYSA-N -1 3 348.717 2.852 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])C=C2CCSCC2)c1 ZINC000772647368 581351291 /nfs/dbraw/zinc/35/12/91/581351291.db2.gz XXCATPMTUCFJMV-HNNXBMFYSA-N -1 3 330.409 2.796 20 30 EFEDHM CCOc1ccc(/C=N\[C@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000772801956 581370154 /nfs/dbraw/zinc/37/01/54/581370154.db2.gz JFKQVVFKTIJIKL-CCSWUNFSSA-N -1 3 344.333 2.763 20 30 EFEDHM Cn1c(C/N=C/c2ccc(O)c([O-])c2O)nc2cccc(Cl)c21 ZINC000773907356 581473197 /nfs/dbraw/zinc/47/31/97/581473197.db2.gz PYAAAGIRYQJFAD-CNHKJKLMSA-N -1 3 331.759 2.963 20 30 EFEDHM CCOCCON=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000774429576 581491342 /nfs/dbraw/zinc/49/13/42/581491342.db2.gz ANXSUKSBMGKKGH-UHFFFAOYSA-N -1 3 332.194 2.940 20 30 EFEDHM CC(=NNCC(C)(C)S(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000774496412 581492686 /nfs/dbraw/zinc/49/26/86/581492686.db2.gz KXVJBURBGDQGNT-UHFFFAOYSA-N -1 3 334.441 2.682 20 30 EFEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1 ZINC000774618782 581495398 /nfs/dbraw/zinc/49/53/98/581495398.db2.gz ORVUBWTUHJIBNI-UHFFFAOYSA-N -1 3 331.393 2.646 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C[C@@H]1CCOC1 ZINC000774750598 581499877 /nfs/dbraw/zinc/49/98/77/581499877.db2.gz QVNSNDZCQCHWQD-RISCZKNCSA-N -1 3 332.400 2.567 20 30 EFEDHM Cc1ccccc1C1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC000737418997 598927109 /nfs/dbraw/zinc/92/71/09/598927109.db2.gz ASEQWRAVOJXYLD-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1ccccc1C1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC000737418997 598927111 /nfs/dbraw/zinc/92/71/11/598927111.db2.gz ASEQWRAVOJXYLD-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCOc2ccccc21 ZINC000819718415 607253791 /nfs/dbraw/zinc/25/37/91/607253791.db2.gz GBPDNJTUIMLHEZ-OAHLLOKOSA-N -1 3 334.383 2.508 20 30 EFEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCOc2ccccc21 ZINC000819718415 607253792 /nfs/dbraw/zinc/25/37/92/607253792.db2.gz GBPDNJTUIMLHEZ-OAHLLOKOSA-N -1 3 334.383 2.508 20 30 EFEDHM COc1cc(C)ccc1C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821708315 607253997 /nfs/dbraw/zinc/25/39/97/607253997.db2.gz MNROTTVBSICORB-UHFFFAOYSA-N -1 3 336.399 2.698 20 30 EFEDHM COc1cc(C)ccc1C(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821708315 607253998 /nfs/dbraw/zinc/25/39/98/607253998.db2.gz MNROTTVBSICORB-UHFFFAOYSA-N -1 3 336.399 2.698 20 30 EFEDHM CC(CCc1ccc(O)cc1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820252566 607254392 /nfs/dbraw/zinc/25/43/92/607254392.db2.gz BVSUNEJURJUFKJ-UHFFFAOYSA-N -1 3 336.399 2.671 20 30 EFEDHM CC(CCc1ccc(O)cc1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820252566 607254393 /nfs/dbraw/zinc/25/43/93/607254393.db2.gz BVSUNEJURJUFKJ-UHFFFAOYSA-N -1 3 336.399 2.671 20 30 EFEDHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1(C)C ZINC000735679565 599112420 /nfs/dbraw/zinc/11/24/20/599112420.db2.gz KQMHVLZTUACNEB-CABCVRRESA-N -1 3 336.399 2.915 20 30 EFEDHM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1(C)C ZINC000735679565 599112424 /nfs/dbraw/zinc/11/24/24/599112424.db2.gz KQMHVLZTUACNEB-CABCVRRESA-N -1 3 336.399 2.915 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccccc1-c1nnn[n-]1 ZINC000819722773 599343691 /nfs/dbraw/zinc/34/36/91/599343691.db2.gz QNDKWECXHCJMQV-LBPRGKRZSA-N -1 3 331.445 2.772 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccccc1-c1nn[n-]n1 ZINC000819722773 599343693 /nfs/dbraw/zinc/34/36/93/599343693.db2.gz QNDKWECXHCJMQV-LBPRGKRZSA-N -1 3 331.445 2.772 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCC1CCCCC1 ZINC000822819660 599124256 /nfs/dbraw/zinc/12/42/56/599124256.db2.gz YKRZAIVMTWONFX-UHFFFAOYSA-N -1 3 329.433 2.778 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCC1CCCCC1 ZINC000822819660 599124258 /nfs/dbraw/zinc/12/42/58/599124258.db2.gz YKRZAIVMTWONFX-UHFFFAOYSA-N -1 3 329.433 2.778 20 30 EFEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1F ZINC000735552188 599190882 /nfs/dbraw/zinc/19/08/82/599190882.db2.gz VQPORYKIJWQVIV-JTQLQIEISA-N -1 3 336.330 2.620 20 30 EFEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1F ZINC000735552188 599190884 /nfs/dbraw/zinc/19/08/84/599190884.db2.gz VQPORYKIJWQVIV-JTQLQIEISA-N -1 3 336.330 2.620 20 30 EFEDHM CCOc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1C ZINC000736628786 599197328 /nfs/dbraw/zinc/19/73/28/599197328.db2.gz XHNARTSQPHKDNZ-UHFFFAOYSA-N -1 3 348.366 2.698 20 30 EFEDHM CCOc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccc1C ZINC000736628786 599197329 /nfs/dbraw/zinc/19/73/29/599197329.db2.gz XHNARTSQPHKDNZ-UHFFFAOYSA-N -1 3 348.366 2.698 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc3occc3s2)ccc1-c1nnn[n-]1 ZINC000737709277 599197675 /nfs/dbraw/zinc/19/76/75/599197675.db2.gz MJBAWQFEWVFZTO-UHFFFAOYSA-N -1 3 336.336 2.798 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc3occc3s2)ccc1-c1nn[n-]n1 ZINC000737709277 599197677 /nfs/dbraw/zinc/19/76/77/599197677.db2.gz MJBAWQFEWVFZTO-UHFFFAOYSA-N -1 3 336.336 2.798 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736338553 598239389 /nfs/dbraw/zinc/23/93/89/598239389.db2.gz XEVSIALGZATDSJ-UHFFFAOYSA-N -1 3 326.404 2.659 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736338553 598239391 /nfs/dbraw/zinc/23/93/91/598239391.db2.gz XEVSIALGZATDSJ-UHFFFAOYSA-N -1 3 326.404 2.659 20 30 EFEDHM CCCCCCC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736444110 598446547 /nfs/dbraw/zinc/44/65/47/598446547.db2.gz CYCNFMCONQLFBQ-CYBMUJFWSA-N -1 3 330.436 2.988 20 30 EFEDHM CCCCCCC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736444110 598446549 /nfs/dbraw/zinc/44/65/49/598446549.db2.gz CYCNFMCONQLFBQ-CYBMUJFWSA-N -1 3 330.436 2.988 20 30 EFEDHM N#Cc1ccc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737718208 598567949 /nfs/dbraw/zinc/56/79/49/598567949.db2.gz MDSHLFRTYMHJBY-UHFFFAOYSA-N -1 3 327.351 2.650 20 30 EFEDHM N#Cc1ccc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737718208 598567951 /nfs/dbraw/zinc/56/79/51/598567951.db2.gz MDSHLFRTYMHJBY-UHFFFAOYSA-N -1 3 327.351 2.650 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1OCCCOc1ccc(C#N)cc1 ZINC000737222281 598698726 /nfs/dbraw/zinc/69/87/26/598698726.db2.gz WEGDYWBTYODCMA-UHFFFAOYSA-N -1 3 335.367 2.895 20 30 EFEDHM C=C(Cl)CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735402334 599369146 /nfs/dbraw/zinc/36/91/46/599369146.db2.gz RDXGXPAGTWFXCX-UHFFFAOYSA-N -1 3 329.216 2.559 20 30 EFEDHM C=C(Cl)CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735402334 599369148 /nfs/dbraw/zinc/36/91/48/599369148.db2.gz RDXGXPAGTWFXCX-UHFFFAOYSA-N -1 3 329.216 2.559 20 30 EFEDHM Cc1cccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000737381617 599460995 /nfs/dbraw/zinc/46/09/95/599460995.db2.gz LPHNJVYLZBZLFX-SREVYHEPSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000737381617 599460998 /nfs/dbraw/zinc/46/09/98/599460998.db2.gz LPHNJVYLZBZLFX-SREVYHEPSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(C#N)CC3)c2c1 ZINC000822194992 599506296 /nfs/dbraw/zinc/50/62/96/599506296.db2.gz CLISPPDAMKCYGI-UHFFFAOYSA-N -1 3 333.399 2.772 20 30 EFEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCC(C#N)CC3)c2c1 ZINC000822194992 599506300 /nfs/dbraw/zinc/50/63/00/599506300.db2.gz CLISPPDAMKCYGI-UHFFFAOYSA-N -1 3 333.399 2.772 20 30 EFEDHM C#C[C@@H](C)OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819689295 599624316 /nfs/dbraw/zinc/62/43/16/599624316.db2.gz YQCOJILLGNCLOH-CYBMUJFWSA-N -1 3 348.362 2.624 20 30 EFEDHM C#C[C@@H](C)OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819689295 599624317 /nfs/dbraw/zinc/62/43/17/599624317.db2.gz YQCOJILLGNCLOH-CYBMUJFWSA-N -1 3 348.362 2.624 20 30 EFEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)Cc1cc(C#N)ccc1F ZINC000821607563 607386839 /nfs/dbraw/zinc/38/68/39/607386839.db2.gz UPXZAMXROCZKNB-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)Cc1cc(C#N)ccc1F ZINC000821607563 607386841 /nfs/dbraw/zinc/38/68/41/607386841.db2.gz UPXZAMXROCZKNB-UHFFFAOYSA-N -1 3 328.376 2.571 20 30 EFEDHM C#CCCCCNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819692769 607423861 /nfs/dbraw/zinc/42/38/61/607423861.db2.gz KJPPGTMAMZBSRL-UHFFFAOYSA-N -1 3 342.403 2.579 20 30 EFEDHM C#CCCCCNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000819692769 607423862 /nfs/dbraw/zinc/42/38/62/607423862.db2.gz KJPPGTMAMZBSRL-UHFFFAOYSA-N -1 3 342.403 2.579 20 30 EFEDHM N#CCC[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826381622 607429593 /nfs/dbraw/zinc/42/95/93/607429593.db2.gz SGXCFUHBKWJOIP-QGZVFWFLSA-N -1 3 346.394 2.570 20 30 EFEDHM N#CCC[C@@H](NC(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381622 607429595 /nfs/dbraw/zinc/42/95/95/607429595.db2.gz SGXCFUHBKWJOIP-QGZVFWFLSA-N -1 3 346.394 2.570 20 30 EFEDHM Cc1cccc(N(CCC#N)C(=O)CN(CCC(=O)[O-])C(C)C)c1C ZINC000738725668 600222608 /nfs/dbraw/zinc/22/26/08/600222608.db2.gz SHGSVCFEQQMCBO-UHFFFAOYSA-N -1 3 345.443 2.735 20 30 EFEDHM Cc1cccc(N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738733127 600563748 /nfs/dbraw/zinc/56/37/48/600563748.db2.gz NZLYUSHJHCAHBB-LJQANCHMSA-N -1 3 335.407 2.815 20 30 EFEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000736663461 600591215 /nfs/dbraw/zinc/59/12/15/600591215.db2.gz YYBFSHMGHZBYND-XIKOKIGWSA-N -1 3 338.363 2.806 20 30 EFEDHM CC(=O)Nc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736167892 600592038 /nfs/dbraw/zinc/59/20/38/600592038.db2.gz ODVNGXQGOWLSGX-KPZWWZAWSA-N -1 3 337.379 2.993 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1c[nH]c2ncccc12 ZINC000822923343 607460569 /nfs/dbraw/zinc/46/05/69/607460569.db2.gz QDWHKNKLXLEGSC-WAYWQWQTSA-N -1 3 334.314 2.778 20 30 EFEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2ncccc12 ZINC000822923343 607460572 /nfs/dbraw/zinc/46/05/72/607460572.db2.gz QDWHKNKLXLEGSC-WAYWQWQTSA-N -1 3 334.314 2.778 20 30 EFEDHM CC(C)n1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000820211382 607459590 /nfs/dbraw/zinc/45/95/90/607459590.db2.gz KRCNKILSYPUTER-WAYWQWQTSA-N -1 3 326.335 2.679 20 30 EFEDHM CC(C)n1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000820211382 607459593 /nfs/dbraw/zinc/45/95/93/607459593.db2.gz KRCNKILSYPUTER-WAYWQWQTSA-N -1 3 326.335 2.679 20 30 EFEDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000826054926 601205229 /nfs/dbraw/zinc/20/52/29/601205229.db2.gz SKJVSVFCHXMYSC-UGSOOPFHSA-N -1 3 337.379 2.548 20 30 EFEDHM N#Cc1cccc([C@H](NCc2ccc(N3CCCC3=O)cc2)C(=O)[O-])c1 ZINC000833074611 601298839 /nfs/dbraw/zinc/29/88/39/601298839.db2.gz BOAKXYJOWJOZHP-IBGZPJMESA-N -1 3 349.390 2.601 20 30 EFEDHM CC(=O)Nc1cccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000825913372 601299269 /nfs/dbraw/zinc/29/92/69/601299269.db2.gz QMGXKROETWBAOO-SGTLLEGYSA-N -1 3 337.379 2.993 20 30 EFEDHM CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000830075215 601301003 /nfs/dbraw/zinc/30/10/03/601301003.db2.gz MBELLSLIMBTOOQ-SFHVURJKSA-N -1 3 340.379 2.881 20 30 EFEDHM O=C(OCC#Cc1cccc(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823396950 607504970 /nfs/dbraw/zinc/50/49/70/607504970.db2.gz PGCAQFDGNQXSSV-UHFFFAOYSA-N -1 3 344.783 2.790 20 30 EFEDHM O=C(OCC#Cc1cccc(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823396950 607504972 /nfs/dbraw/zinc/50/49/72/607504972.db2.gz PGCAQFDGNQXSSV-UHFFFAOYSA-N -1 3 344.783 2.790 20 30 EFEDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1 ZINC000826055108 601654659 /nfs/dbraw/zinc/65/46/59/601654659.db2.gz VYHUGJZHZPCCPT-IAQYHMDHSA-N -1 3 343.408 2.610 20 30 EFEDHM N#Cc1cccc(-c2nnc(CNC3(CC(=O)[O-])CCCCC3)o2)c1 ZINC000833073962 601880313 /nfs/dbraw/zinc/88/03/13/601880313.db2.gz LCMOJSJDBWPZTF-UHFFFAOYSA-N -1 3 340.383 2.875 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2occc2[nH]1 ZINC000823914197 607569844 /nfs/dbraw/zinc/56/98/44/607569844.db2.gz DBYNVUZWFQXETP-UHFFFAOYSA-N -1 3 348.366 2.769 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2occc2[nH]1 ZINC000823914197 607569845 /nfs/dbraw/zinc/56/98/45/607569845.db2.gz DBYNVUZWFQXETP-UHFFFAOYSA-N -1 3 348.366 2.769 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCC#N)CC(C)(C)C ZINC000826244659 607685038 /nfs/dbraw/zinc/68/50/38/607685038.db2.gz ZUKHSICGROLAMU-UHFFFAOYSA-N -1 3 326.404 2.577 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCC#N)CC(C)(C)C ZINC000826244659 607685039 /nfs/dbraw/zinc/68/50/39/607685039.db2.gz ZUKHSICGROLAMU-UHFFFAOYSA-N -1 3 326.404 2.577 20 30 EFEDHM C=CCc1cc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc(OC)c1O ZINC000833379513 604649021 /nfs/dbraw/zinc/64/90/21/604649021.db2.gz DRERYOJIDZDQCR-HNNXBMFYSA-N -1 3 331.412 2.816 20 30 EFEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000833420047 605548938 /nfs/dbraw/zinc/54/89/38/605548938.db2.gz NYILOGWBXWTBSA-AWEZNQCLSA-N -1 3 326.400 2.529 20 30 EFEDHM N#Cc1cc(NC(=O)C/C=C/c2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC000822823209 606127635 /nfs/dbraw/zinc/12/76/35/606127635.db2.gz MUHSJIOGOWQPCH-DUXPYHPUSA-N -1 3 348.341 2.919 20 30 EFEDHM N#Cc1cc(NC(=O)C/C=C/c2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC000822823209 606127637 /nfs/dbraw/zinc/12/76/37/606127637.db2.gz MUHSJIOGOWQPCH-DUXPYHPUSA-N -1 3 348.341 2.919 20 30 EFEDHM N#Cc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000822830052 606128004 /nfs/dbraw/zinc/12/80/04/606128004.db2.gz SYXIBBIHJUXEKL-DUXPYHPUSA-N -1 3 348.341 2.919 20 30 EFEDHM N#Cc1ccc(NC(=O)C/C=C/c2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000822830052 606128005 /nfs/dbraw/zinc/12/80/05/606128005.db2.gz SYXIBBIHJUXEKL-DUXPYHPUSA-N -1 3 348.341 2.919 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820077041 606153065 /nfs/dbraw/zinc/15/30/65/606153065.db2.gz YXGOXLYJZXOPMV-UHFFFAOYSA-N -1 3 345.382 2.799 20 30 EFEDHM CC(C)CCN(CCC#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820077041 606153066 /nfs/dbraw/zinc/15/30/66/606153066.db2.gz YXGOXLYJZXOPMV-UHFFFAOYSA-N -1 3 345.382 2.799 20 30 EFEDHM N#CCCN(Cc1ccco1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000822811287 606191474 /nfs/dbraw/zinc/19/14/74/606191474.db2.gz UGYYVKABODZAJZ-UHFFFAOYSA-N -1 3 326.335 2.515 20 30 EFEDHM N#CCCN(Cc1ccco1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000822811287 606191476 /nfs/dbraw/zinc/19/14/76/606191476.db2.gz UGYYVKABODZAJZ-UHFFFAOYSA-N -1 3 326.335 2.515 20 30 EFEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822271225 606205581 /nfs/dbraw/zinc/20/55/81/606205581.db2.gz ROMYXZLNKAECCA-UHFFFAOYSA-N -1 3 329.345 2.591 20 30 EFEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822271225 606205583 /nfs/dbraw/zinc/20/55/83/606205583.db2.gz ROMYXZLNKAECCA-UHFFFAOYSA-N -1 3 329.345 2.591 20 30 EFEDHM N#Cc1c(Cl)nsc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822819351 606223810 /nfs/dbraw/zinc/22/38/10/606223810.db2.gz QWYMJXIYZDWABZ-UHFFFAOYSA-N -1 3 335.755 2.599 20 30 EFEDHM N#Cc1c(Cl)nsc1NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822819351 606223812 /nfs/dbraw/zinc/22/38/12/606223812.db2.gz QWYMJXIYZDWABZ-UHFFFAOYSA-N -1 3 335.755 2.599 20 30 EFEDHM Cc1c(NN=Cc2ccc(-c3nnn[n-]3)s2)cccc1[N+](=O)[O-] ZINC000822123076 606370849 /nfs/dbraw/zinc/37/08/49/606370849.db2.gz UOZGIMFXBAQHAN-UHFFFAOYSA-N -1 3 329.345 2.591 20 30 EFEDHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(Cl)ccc1C#N ZINC000821574663 606414643 /nfs/dbraw/zinc/41/46/43/606414643.db2.gz QXCOAFGTEYIOBW-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(Cl)ccc1C#N ZINC000821574663 606414645 /nfs/dbraw/zinc/41/46/45/606414645.db2.gz QXCOAFGTEYIOBW-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM C#CCOc1ccc(F)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819710217 606462229 /nfs/dbraw/zinc/46/22/29/606462229.db2.gz ZKVAWQMWHJNHKN-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM C#CCOc1ccc(F)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819710217 606462231 /nfs/dbraw/zinc/46/22/31/606462231.db2.gz ZKVAWQMWHJNHKN-UHFFFAOYSA-N -1 3 341.321 2.769 20 30 EFEDHM C#CCN(CC#C)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000819697504 606503014 /nfs/dbraw/zinc/50/30/14/606503014.db2.gz GXBPEORMBCYFNR-UHFFFAOYSA-N -1 3 327.391 2.602 20 30 EFEDHM C#CCN(CC#C)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000819697504 606503016 /nfs/dbraw/zinc/50/30/16/606503016.db2.gz GXBPEORMBCYFNR-UHFFFAOYSA-N -1 3 327.391 2.602 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@H]1CCC ZINC000819743932 606587553 /nfs/dbraw/zinc/58/75/53/606587553.db2.gz TWCGIRHXPYXOEF-GDBMZVCRSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@H]1CCC ZINC000819743932 606587554 /nfs/dbraw/zinc/58/75/54/606587554.db2.gz TWCGIRHXPYXOEF-GDBMZVCRSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(CCC)CC1 ZINC000819742902 606717609 /nfs/dbraw/zinc/71/76/09/606717609.db2.gz BMHFPTRKZIUPJN-UHFFFAOYSA-N -1 3 325.416 2.962 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(CCC)CC1 ZINC000819742902 606717611 /nfs/dbraw/zinc/71/76/11/606717611.db2.gz BMHFPTRKZIUPJN-UHFFFAOYSA-N -1 3 325.416 2.962 20 30 EFEDHM CCC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000820838622 606732636 /nfs/dbraw/zinc/73/26/36/606732636.db2.gz YHBNEYRSMFMEOZ-UHFFFAOYSA-N -1 3 346.350 2.583 20 30 EFEDHM CCC(=O)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000820838622 606732637 /nfs/dbraw/zinc/73/26/37/606732637.db2.gz YHBNEYRSMFMEOZ-UHFFFAOYSA-N -1 3 346.350 2.583 20 30 EFEDHM COc1cc(F)cc(NN=C(C)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821720470 607036742 /nfs/dbraw/zinc/03/67/42/607036742.db2.gz SDVBCAKFVSYOOE-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1cc(F)cc(NN=C(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821720470 607036743 /nfs/dbraw/zinc/03/67/43/607036743.db2.gz SDVBCAKFVSYOOE-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM N#Cc1cccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000822837130 607147626 /nfs/dbraw/zinc/14/76/26/607147626.db2.gz GEBMNPLWNIXLTM-UHFFFAOYSA-N -1 3 328.339 2.666 20 30 EFEDHM N#Cc1cccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822837130 607147628 /nfs/dbraw/zinc/14/76/28/607147628.db2.gz GEBMNPLWNIXLTM-UHFFFAOYSA-N -1 3 328.339 2.666 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000822830218 607238701 /nfs/dbraw/zinc/23/87/01/607238701.db2.gz XMKOTOOJAFFFDW-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000822830218 607238702 /nfs/dbraw/zinc/23/87/02/607238702.db2.gz XMKOTOOJAFFFDW-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc([C@H](O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000826385105 607877533 /nfs/dbraw/zinc/87/75/33/607877533.db2.gz XNZIBUQUZLETNX-CQSZACIVSA-N -1 3 341.758 2.504 20 30 EFEDHM N#Cc1ccc([C@H](O)COc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000826385105 607877534 /nfs/dbraw/zinc/87/75/34/607877534.db2.gz XNZIBUQUZLETNX-CQSZACIVSA-N -1 3 341.758 2.504 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826382060 607883600 /nfs/dbraw/zinc/88/36/00/607883600.db2.gz MTEYGMHJCMXBBY-YFHOEESVSA-N -1 3 331.335 2.665 20 30 EFEDHM N#CCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826382060 607883601 /nfs/dbraw/zinc/88/36/01/607883601.db2.gz MTEYGMHJCMXBBY-YFHOEESVSA-N -1 3 331.335 2.665 20 30 EFEDHM N#Cc1ccc2c(c1)CCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826385868 607884848 /nfs/dbraw/zinc/88/48/48/607884848.db2.gz FPRAEEPVDQSJJC-GDNBJRDFSA-N -1 3 327.347 2.951 20 30 EFEDHM N#Cc1ccc2c(c1)CCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826385868 607884849 /nfs/dbraw/zinc/88/48/49/607884849.db2.gz FPRAEEPVDQSJJC-GDNBJRDFSA-N -1 3 327.347 2.951 20 30 EFEDHM O=C1c2ccc(-c3nn[nH]n3)cc2CCC1=Cc1ccc([O-])c(F)c1 ZINC000826476063 607885245 /nfs/dbraw/zinc/88/52/45/607885245.db2.gz ZZFIQYUNYOMODL-GHXNOFRVSA-N -1 3 336.326 2.924 20 30 EFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1c[nH]nc1-c1ccccc1 ZINC000823861463 607885747 /nfs/dbraw/zinc/88/57/47/607885747.db2.gz JJASUVJVACULME-UHFFFAOYSA-N -1 3 330.355 2.703 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)OCC ZINC000823874751 607927511 /nfs/dbraw/zinc/92/75/11/607927511.db2.gz YNBCTVJYAWAMRN-ZDUSSCGKSA-N -1 3 335.795 2.830 20 30 EFEDHM C=C(C)[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)OCC ZINC000823874751 607927512 /nfs/dbraw/zinc/92/75/12/607927512.db2.gz YNBCTVJYAWAMRN-ZDUSSCGKSA-N -1 3 335.795 2.830 20 30 EFEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC)c(C#N)c1 ZINC000825782622 607975977 /nfs/dbraw/zinc/97/59/77/607975977.db2.gz JFUDHPBASZOSJH-UHFFFAOYSA-N -1 3 345.366 2.784 20 30 EFEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC)c(C#N)c1 ZINC000825782622 607975978 /nfs/dbraw/zinc/97/59/78/607975978.db2.gz JFUDHPBASZOSJH-UHFFFAOYSA-N -1 3 345.366 2.784 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(C#N)s2)cc1-c1nnn[n-]1 ZINC000826190644 608092746 /nfs/dbraw/zinc/09/27/46/608092746.db2.gz IDRSZTQZNXPLGE-DJWKRKHSSA-N -1 3 337.364 2.705 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(C#N)s2)cc1-c1nn[n-]n1 ZINC000826190644 608092747 /nfs/dbraw/zinc/09/27/47/608092747.db2.gz IDRSZTQZNXPLGE-DJWKRKHSSA-N -1 3 337.364 2.705 20 30 EFEDHM C=CCN(Cc1ncc(C)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823915315 608257429 /nfs/dbraw/zinc/25/74/29/608257429.db2.gz UHBQRSUJXPDSCR-UHFFFAOYSA-N -1 3 326.429 2.820 20 30 EFEDHM C=CCN(Cc1ncc(C)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915315 608257430 /nfs/dbraw/zinc/25/74/30/608257430.db2.gz UHBQRSUJXPDSCR-UHFFFAOYSA-N -1 3 326.429 2.820 20 30 EFEDHM Cc1nc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cs1 ZINC000823958325 608535712 /nfs/dbraw/zinc/53/57/12/608535712.db2.gz JGCOZIJXCZNXCC-UHFFFAOYSA-N -1 3 334.796 2.516 20 30 EFEDHM Cc1nc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cs1 ZINC000823958325 608535713 /nfs/dbraw/zinc/53/57/13/608535713.db2.gz JGCOZIJXCZNXCC-UHFFFAOYSA-N -1 3 334.796 2.516 20 30 EFEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCc3ccccc32)n1 ZINC000826350040 608535821 /nfs/dbraw/zinc/53/58/21/608535821.db2.gz FWLBNCWTFAXLGF-UHFFFAOYSA-N -1 3 325.763 2.678 20 30 EFEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCc3ccccc32)n1 ZINC000826350040 608535823 /nfs/dbraw/zinc/53/58/23/608535823.db2.gz FWLBNCWTFAXLGF-UHFFFAOYSA-N -1 3 325.763 2.678 20 30 EFEDHM Cc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CC2 ZINC000826293408 608536243 /nfs/dbraw/zinc/53/62/43/608536243.db2.gz ONTPXZNLPLVUHT-UHFFFAOYSA-N -1 3 339.790 2.986 20 30 EFEDHM Cc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CC2 ZINC000826293408 608536244 /nfs/dbraw/zinc/53/62/44/608536244.db2.gz ONTPXZNLPLVUHT-UHFFFAOYSA-N -1 3 339.790 2.986 20 30 EFEDHM Cc1ccc(C)c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826284725 608537610 /nfs/dbraw/zinc/53/76/10/608537610.db2.gz CSMGINUGLYSJQA-UHFFFAOYSA-N -1 3 327.779 2.978 20 30 EFEDHM Cc1ccc(C)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826284725 608537612 /nfs/dbraw/zinc/53/76/12/608537612.db2.gz CSMGINUGLYSJQA-UHFFFAOYSA-N -1 3 327.779 2.978 20 30 EFEDHM Cc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(O)c1 ZINC000823954048 608538003 /nfs/dbraw/zinc/53/80/03/608538003.db2.gz WWAOONUMSIFRPH-UHFFFAOYSA-N -1 3 343.778 2.765 20 30 EFEDHM Cc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(O)c1 ZINC000823954048 608538004 /nfs/dbraw/zinc/53/80/04/608538004.db2.gz WWAOONUMSIFRPH-UHFFFAOYSA-N -1 3 343.778 2.765 20 30 EFEDHM CN(C(=O)c1ccc(Cl)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825829222 608575380 /nfs/dbraw/zinc/57/53/80/608575380.db2.gz AKZAOYFDWCPPOD-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(Cl)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825829222 608575381 /nfs/dbraw/zinc/57/53/81/608575381.db2.gz AKZAOYFDWCPPOD-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM N#Cc1cc(F)ccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826383992 608577484 /nfs/dbraw/zinc/57/74/84/608577484.db2.gz AVZNNQIXCGALDT-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(F)ccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826383992 608577486 /nfs/dbraw/zinc/57/74/86/608577486.db2.gz AVZNNQIXCGALDT-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM COc1cccc(NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826216989 609160501 /nfs/dbraw/zinc/16/05/01/609160501.db2.gz VBAGFFOTHUSZDS-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1cccc(NN=C(C)c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000826216989 609160502 /nfs/dbraw/zinc/16/05/02/609160502.db2.gz VBAGFFOTHUSZDS-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(C#N)c1 ZINC000825480979 609179050 /nfs/dbraw/zinc/17/90/50/609179050.db2.gz PDJGFYFNBOVOLU-UHFFFAOYSA-N -1 3 337.362 2.921 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000826044517 609271769 /nfs/dbraw/zinc/27/17/69/609271769.db2.gz HAEHPQFDMBNVDH-CLTKARDFSA-N -1 3 349.369 2.894 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000826044517 609271770 /nfs/dbraw/zinc/27/17/70/609271770.db2.gz HAEHPQFDMBNVDH-CLTKARDFSA-N -1 3 349.369 2.894 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C#N ZINC000826190658 609271875 /nfs/dbraw/zinc/27/18/75/609271875.db2.gz INLNMLDPZPPQEE-KXFIGUGUSA-N -1 3 349.325 2.782 20 30 EFEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C#N ZINC000826190658 609271876 /nfs/dbraw/zinc/27/18/76/609271876.db2.gz INLNMLDPZPPQEE-KXFIGUGUSA-N -1 3 349.325 2.782 20 30 EFEDHM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)n21 ZINC000826305174 609272396 /nfs/dbraw/zinc/27/23/96/609272396.db2.gz NGHIBAWDFHSAJI-SOFGYWHQSA-N -1 3 348.341 2.858 20 30 EFEDHM Cc1cccc2ncc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3F)n21 ZINC000826305174 609272397 /nfs/dbraw/zinc/27/23/97/609272397.db2.gz NGHIBAWDFHSAJI-SOFGYWHQSA-N -1 3 348.341 2.858 20 30 EFEDHM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962871 609273620 /nfs/dbraw/zinc/27/36/20/609273620.db2.gz QFXMHKBYZZAPKD-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962871 609273621 /nfs/dbraw/zinc/27/36/21/609273621.db2.gz QFXMHKBYZZAPKD-UHFFFAOYSA-N -1 3 341.306 2.750 20 30 EFEDHM C=C(C)CN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823873202 609380862 /nfs/dbraw/zinc/38/08/62/609380862.db2.gz JXXKVVBXDJRBEI-UHFFFAOYSA-N -1 3 338.318 2.508 20 30 EFEDHM C=C(C)CN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823873202 609380864 /nfs/dbraw/zinc/38/08/64/609380864.db2.gz JXXKVVBXDJRBEI-UHFFFAOYSA-N -1 3 338.318 2.508 20 30 EFEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N(C)Cc1cccc(C#N)c1 ZINC000824015407 609419105 /nfs/dbraw/zinc/41/91/05/609419105.db2.gz SSODBVDXSMTVQZ-UHFFFAOYSA-N -1 3 332.367 2.577 20 30 EFEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N(C)Cc1cccc(C#N)c1 ZINC000824015407 609419107 /nfs/dbraw/zinc/41/91/07/609419107.db2.gz SSODBVDXSMTVQZ-UHFFFAOYSA-N -1 3 332.367 2.577 20 30 EFEDHM N#Cc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000826385763 609474732 /nfs/dbraw/zinc/47/47/32/609474732.db2.gz ZNEGYWDZCUTLAY-UHFFFAOYSA-N -1 3 329.776 2.899 20 30 EFEDHM N#Cc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000826385763 609474735 /nfs/dbraw/zinc/47/47/35/609474735.db2.gz ZNEGYWDZCUTLAY-UHFFFAOYSA-N -1 3 329.776 2.899 20 30 EFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824035378 609602132 /nfs/dbraw/zinc/60/21/32/609602132.db2.gz YFARYTWATVFVDN-LLVKDONJSA-N -1 3 349.354 2.802 20 30 EFEDHM C[C@H](C#N)Oc1ccccc1NC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824035378 609602135 /nfs/dbraw/zinc/60/21/35/609602135.db2.gz YFARYTWATVFVDN-LLVKDONJSA-N -1 3 349.354 2.802 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000945439079 1253339121 /nfs/dbraw/zinc/33/91/21/1253339121.db2.gz PJJCXTIPUXQZQZ-ZFWWWQNUSA-N -1 3 330.428 2.571 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)c3ccccc3[O-])[C@H](C)C2)C1 ZINC000945508200 1253409185 /nfs/dbraw/zinc/40/91/85/1253409185.db2.gz FXHIMDZNQSEMLS-ZBFHGGJFSA-N -1 3 342.439 2.715 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000945655449 1253701122 /nfs/dbraw/zinc/70/11/22/1253701122.db2.gz XPTIPQMDBWSHHS-CABCVRRESA-N -1 3 344.455 2.961 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC000945655452 1253701669 /nfs/dbraw/zinc/70/16/69/1253701669.db2.gz XPTIPQMDBWSHHS-LSDHHAIUSA-N -1 3 344.455 2.961 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC000946001676 1254336396 /nfs/dbraw/zinc/33/63/96/1254336396.db2.gz NUNGBLUSWSMUPE-HOCLYGCPSA-N -1 3 342.439 2.667 20 30 EFEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000770376144 1256409238 /nfs/dbraw/zinc/40/92/38/1256409238.db2.gz ACCMTMVJFGMOLB-MRVPVSSYSA-N -1 3 336.638 2.793 20 30 EFEDHM N#C[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000921525235 1256913629 /nfs/dbraw/zinc/91/36/29/1256913629.db2.gz POQGQKWCLAVODS-NSHDSACASA-N -1 3 338.205 2.600 20 30 EFEDHM CCCCCCCN1CCO[C@](C)(CNC(=O)c2ncccc2[O-])C1 ZINC001107889808 1257081595 /nfs/dbraw/zinc/08/15/95/1257081595.db2.gz DPTPGJGSYPHRRQ-LJQANCHMSA-N -1 3 349.475 2.578 20 30 EFEDHM N#Cc1c(F)cccc1NC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001060810768 1257161852 /nfs/dbraw/zinc/16/18/52/1257161852.db2.gz GXTGKNHPVPSTON-CYBMUJFWSA-N -1 3 339.370 2.977 20 30 EFEDHM C=C(C)[C@H](C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000755991196 1257266718 /nfs/dbraw/zinc/26/67/18/1257266718.db2.gz NFCSIANSJTUQGL-ZDUSSCGKSA-N -1 3 341.429 2.723 20 30 EFEDHM C#CCCCS(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000711096199 1259945875 /nfs/dbraw/zinc/94/58/75/1259945875.db2.gz GKKCSHPAXWOJFH-UHFFFAOYSA-N -1 3 338.173 2.882 20 30 EFEDHM Cc1nn(C)c(C)c1C(=N[N-]c1cncc(Cl)n1)C(F)(F)F ZINC000733907629 1266411236 /nfs/dbraw/zinc/41/12/36/1266411236.db2.gz RLJSJVFSVHOIQN-UHFFFAOYSA-N -1 3 332.717 2.859 20 30 EFEDHM C[C@@]1(NC(=O)c2ccccc2[O-])CCN(c2cccc(F)c2C#N)C1 ZINC001065204847 1263560351 /nfs/dbraw/zinc/56/03/51/1263560351.db2.gz RWXHTQQBKWDAGM-LJQANCHMSA-N -1 3 339.370 2.802 20 30 EFEDHM COc1ccc(NC(=S)NN=C(C)c2ccc([O-])cc2F)cn1 ZINC000729933063 1264115686 /nfs/dbraw/zinc/11/56/86/1264115686.db2.gz QZJYBEKHFINKEQ-UHFFFAOYSA-N -1 3 334.376 2.646 20 30 EFEDHM Cc1nc(COc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2)no1 ZINC000730950533 1264490236 /nfs/dbraw/zinc/49/02/36/1264490236.db2.gz FISYTLSQGGOERV-UHFFFAOYSA-N -1 3 341.323 2.824 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001032913565 1265367304 /nfs/dbraw/zinc/36/73/04/1265367304.db2.gz QMONHWYZFMBUAB-SFHVURJKSA-N -1 3 334.419 2.590 20 30 EFEDHM C=C1CC(C)(C(=O)N2CC[C@@H](C)[C@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC001004549782 1267276386 /nfs/dbraw/zinc/27/63/86/1267276386.db2.gz BETAXEBXCBGLCA-GDBMZVCRSA-N -1 3 342.439 2.715 20 30 EFEDHM C=C(Cl)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000736238494 1267545278 /nfs/dbraw/zinc/54/52/78/1267545278.db2.gz JKJPXDYNMGSZEK-UHFFFAOYSA-N -1 3 341.592 2.773 20 30 EFEDHM N#Cc1ccc(NCC[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)nc1 ZINC001066264007 1267582883 /nfs/dbraw/zinc/58/28/83/1267582883.db2.gz HDKQEMFLUBULJD-CQSZACIVSA-N -1 3 336.395 2.623 20 30 EFEDHM C#CCSCCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000740022297 1268839369 /nfs/dbraw/zinc/83/93/69/1268839369.db2.gz BOLLQQBKJUDJQS-UHFFFAOYSA-N -1 3 342.424 2.646 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])C1CCN(CC#Cc2ccccc2)CC1 ZINC001005133174 1268968836 /nfs/dbraw/zinc/96/88/36/1268968836.db2.gz GUMYHXSTMFEFNK-UHFFFAOYSA-N -1 3 348.446 2.980 20 30 EFEDHM CC(C)CO[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)C1(C)C ZINC000737430330 1269477845 /nfs/dbraw/zinc/47/78/45/1269477845.db2.gz PNHGNLKECQSGKN-INIZCTEOSA-N -1 3 338.473 2.933 20 30 EFEDHM Cc1cc(=O)[n-]c(N=NC2CCN(c3ccc(N(C)C)cc3)CC2)n1 ZINC000741450198 1269531343 /nfs/dbraw/zinc/53/13/43/1269531343.db2.gz UGUBLOOCOBOEFE-UHFFFAOYSA-N -1 3 340.431 2.625 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]2C)C1 ZINC001005256517 1269712954 /nfs/dbraw/zinc/71/29/54/1269712954.db2.gz PUNVFNQJRUXBSF-ZBFHGGJFSA-N -1 3 342.439 2.715 20 30 EFEDHM N#Cc1ccc(F)c(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)c1 ZINC000742733815 1270194299 /nfs/dbraw/zinc/19/42/99/1270194299.db2.gz ZODBYHMFAMAFLA-UHFFFAOYSA-N -1 3 348.280 2.798 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCCc2ccccc21 ZINC000743449025 1270583732 /nfs/dbraw/zinc/58/37/32/1270583732.db2.gz KSMXSUKGUAVFGC-UHFFFAOYSA-N -1 3 328.437 2.889 20 30 EFEDHM CCCCCCOc1ccc(C=NN2CC(=O)[N-]C2=O)cc1OC ZINC000744809903 1271178625 /nfs/dbraw/zinc/17/86/25/1271178625.db2.gz CUWDVGRJRRICEJ-UHFFFAOYSA-N -1 3 333.388 2.540 20 30 EFEDHM O=C1CN(N=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)[N-]1 ZINC000744810085 1271179333 /nfs/dbraw/zinc/17/93/33/1271179333.db2.gz JMPBOLMGMFZTBG-UHFFFAOYSA-N -1 3 332.363 2.575 20 30 EFEDHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000752159535 1271344737 /nfs/dbraw/zinc/34/47/37/1271344737.db2.gz DWCXBZWRBJYICI-GFCCVEGCSA-N -1 3 329.743 2.705 20 30 EFEDHM C#Cc1cccc(NC(=O)C[N-]c2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1 ZINC000804361238 1273779623 /nfs/dbraw/zinc/77/96/23/1273779623.db2.gz KIHFKSVNVKAIID-UHFFFAOYSA-N -1 3 340.295 2.535 20 30 EFEDHM C#CCCCCCC(=O)N(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001109585021 1274444542 /nfs/dbraw/zinc/44/45/42/1274444542.db2.gz XARUSGYBZOKWTI-UHFFFAOYSA-N -1 3 348.403 2.540 20 30 EFEDHM Cc1nsc(NC[C@H](NC(=O)c2ccccc2[O-])C2CC2)c1C#N ZINC001109779318 1274627841 /nfs/dbraw/zinc/62/78/41/1274627841.db2.gz KFXDVDINIZKSJD-AWEZNQCLSA-N -1 3 342.424 2.649 20 30 EFEDHM N#Cc1ccc(CNC(=O)COC(=O)c2cc3ccsc3[n-]2)cc1 ZINC000746552047 1275103952 /nfs/dbraw/zinc/10/39/52/1275103952.db2.gz AGFWRPRXQQKTOF-UHFFFAOYSA-N -1 3 339.376 2.574 20 30 EFEDHM CCN(CCC#N)C(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786139951 1275309430 /nfs/dbraw/zinc/30/94/30/1275309430.db2.gz LLZGDKVXOBQRPM-UHFFFAOYSA-N -1 3 332.381 2.526 20 30 EFEDHM CC(=NOCc1cccnc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000746586431 1275405114 /nfs/dbraw/zinc/40/51/14/1275405114.db2.gz YPCUOFMKDKLQTD-UHFFFAOYSA-N -1 3 341.411 2.560 20 30 EFEDHM C=C[C@@](C)(CC)COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000786524433 1275419159 /nfs/dbraw/zinc/41/91/59/1275419159.db2.gz OAAGAXCXYZWBQJ-HNNXBMFYSA-N -1 3 329.393 2.956 20 30 EFEDHM Cc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c2ccccn12 ZINC000786547269 1275437964 /nfs/dbraw/zinc/43/79/64/1275437964.db2.gz PKSAZMKKORSFIK-INIZCTEOSA-N -1 3 346.390 2.590 20 30 EFEDHM CCc1ccc(C(=O)N[C@H](C#N)c2cccc(OC)c2OC)c([O-])c1 ZINC000786897789 1275571730 /nfs/dbraw/zinc/57/17/30/1275571730.db2.gz IZOLALKMSRZIEP-OAHLLOKOSA-N -1 3 340.379 2.966 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCCN(c3ccccc3)C2)c1[O-] ZINC000788322253 1276144628 /nfs/dbraw/zinc/14/46/28/1276144628.db2.gz XFKMCCXOCRUPIS-IXGURIBZSA-N -1 3 339.439 2.923 20 30 EFEDHM C#CCOc1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1 ZINC000788747432 1276309759 /nfs/dbraw/zinc/30/97/59/1276309759.db2.gz ANRNUPSQDICFCP-UHFFFAOYSA-N -1 3 341.388 2.874 20 30 EFEDHM CC(C)(C#N)CS(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000790017696 1277188535 /nfs/dbraw/zinc/18/85/35/1277188535.db2.gz UNXJROVSQPCMST-ZDUSSCGKSA-N -1 3 335.454 2.702 20 30 EFEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c(C)n1-c1cccc(C)c1 ZINC000820475937 1277188559 /nfs/dbraw/zinc/18/85/59/1277188559.db2.gz CVXGVBPEAXFCLQ-KRWDZBQOSA-N -1 3 341.411 2.513 20 30 EFEDHM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820477540 1277190956 /nfs/dbraw/zinc/19/09/56/1277190956.db2.gz ZYWWJHTXMUUZGE-INIZCTEOSA-N -1 3 341.411 2.513 20 30 EFEDHM C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820482954 1277191464 /nfs/dbraw/zinc/19/14/64/1277191464.db2.gz VDKOZXFWIXACBR-TVQRCGJNSA-N -1 3 345.226 2.668 20 30 EFEDHM C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820482953 1277191669 /nfs/dbraw/zinc/19/16/69/1277191669.db2.gz VDKOZXFWIXACBR-RNCFNFMXSA-N -1 3 345.226 2.668 20 30 EFEDHM C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001086585363 1277454896 /nfs/dbraw/zinc/45/48/96/1277454896.db2.gz SZTLTKHSEVRSOV-DLBZAZTESA-N -1 3 337.423 2.561 20 30 EFEDHM C=C(C)CN1CC[C@@]2(CCCN2Cc2ccccc2C(=O)[O-])C1=O ZINC001273171073 1277519570 /nfs/dbraw/zinc/51/95/70/1277519570.db2.gz BUKOZTDEVHUGRJ-IBGZPJMESA-N -1 3 328.412 2.528 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C(C)(C)C(=O)OCC)cs1 ZINC000844662471 1279171012 /nfs/dbraw/zinc/17/10/12/1279171012.db2.gz FOININGQGBVVPA-SECBINFHSA-N -1 3 327.406 2.611 20 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1280246893 /nfs/dbraw/zinc/24/68/93/1280246893.db2.gz FUWBLEXTQYNOSW-MWABVPJASA-N -1 3 336.432 2.572 20 30 EFEDHM C=C(C)CO[N-]C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000846533965 1280249482 /nfs/dbraw/zinc/24/94/82/1280249482.db2.gz QLCFJBMVWMLZPZ-UHFFFAOYSA-N -1 3 331.821 2.518 20 30 EFEDHM N#Cc1ncc(Nc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC001175427613 1287424838 /nfs/dbraw/zinc/42/48/38/1287424838.db2.gz FESAMMGYYDHVHZ-UHFFFAOYSA-N -1 3 331.261 2.896 20 30 EFEDHM N#Cc1cnnc(-c2ccccc2)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175427137 1287425528 /nfs/dbraw/zinc/42/55/28/1287425528.db2.gz IDKBWVGLSWPYCC-UHFFFAOYSA-N -1 3 340.350 2.939 20 30 EFEDHM C/C(I)=C/C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001145012397 1280691187 /nfs/dbraw/zinc/69/11/87/1280691187.db2.gz ZFYDVWPPBLESJI-DAXSKMNVSA-N -1 3 328.109 2.541 20 30 EFEDHM Cc1cc(C(=O)N([O-])C(=N)c2ccccc2N)n(-c2ccccc2)n1 ZINC001147855174 1281327150 /nfs/dbraw/zinc/32/71/50/1281327150.db2.gz VXIHFALLCOKHMQ-UHFFFAOYSA-N -1 3 335.367 2.620 20 30 EFEDHM COC1(CCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCC1 ZINC000809053649 1282020425 /nfs/dbraw/zinc/02/04/25/1282020425.db2.gz LUFGNPSRMJADCS-UHFFFAOYSA-N -1 3 332.400 2.711 20 30 EFEDHM Cc1cccc2c(-c3ccnc(N[C@@H]4C(=O)N([O-])C[C@@H]4C)n3)c[nH]c21 ZINC001171364052 1282066209 /nfs/dbraw/zinc/06/62/09/1282066209.db2.gz VEKQEGRQPIOVBR-ZBEGNZNMSA-N -1 3 337.383 2.581 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc2c(c1)Cc1cc(N(C)C)ccc1-2 ZINC001171365965 1282081917 /nfs/dbraw/zinc/08/19/17/1282081917.db2.gz OBCRZBBQBHCYFM-BUXKBTBVSA-N -1 3 337.423 2.972 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nccc2cccc(Br)c21 ZINC001171365608 1282085305 /nfs/dbraw/zinc/08/53/05/1282085305.db2.gz GFJWIKTVIJDALR-UFBFGSQYSA-N -1 3 336.189 2.645 20 30 EFEDHM CCOC(=O)c1cc(C(F)(F)F)ccc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171368341 1282158866 /nfs/dbraw/zinc/15/88/66/1282158866.db2.gz DPHHJCXZBWOLNN-UFBFGSQYSA-N -1 3 346.305 2.530 20 30 EFEDHM CN(CCCOC(=O)c1cc([O-])cc(C#N)c1)C(=O)OC(C)(C)C ZINC000811184546 1284094135 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CSc1cccc(NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811188831 1284097549 /nfs/dbraw/zinc/09/75/49/1284097549.db2.gz ZLYXLIAIIOUTAO-UHFFFAOYSA-N -1 3 342.376 2.781 20 30 EFEDHM CC(C)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCCC[C@H]1C ZINC000811187269 1284097878 /nfs/dbraw/zinc/09/78/78/1284097878.db2.gz DNDQUSSULYHDJD-DYVFJYSZSA-N -1 3 344.411 2.846 20 30 EFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N(C)C1CCCCC1 ZINC000811188706 1284098597 /nfs/dbraw/zinc/09/85/97/1284098597.db2.gz VIDDTSACIUSBBX-LBPRGKRZSA-N -1 3 330.384 2.600 20 30 EFEDHM CC[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NCc1ccccc1 ZINC000811188619 1284099074 /nfs/dbraw/zinc/09/90/74/1284099074.db2.gz QMTSPIOLUQPXHK-QGZVFWFLSA-N -1 3 338.363 2.516 20 30 EFEDHM COc1ccc(C=NNC[C@H]2CCSC2)c(Br)c1[O-] ZINC000811659784 1284490002 /nfs/dbraw/zinc/49/00/02/1284490002.db2.gz YLWYOHWDFQTQIW-SECBINFHSA-N -1 3 345.262 2.840 20 30 EFEDHM Cn1cc(C#N)c([N-]C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000813034966 1285601301 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CCCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccccn1 ZINC000814858867 1287104253 /nfs/dbraw/zinc/10/42/53/1287104253.db2.gz IJDKKWQHTOZMBF-UHFFFAOYSA-N -1 3 331.441 2.748 20 30 EFEDHM Cc1ncc(CO)c(/C=N\Cc2noc3c2CC(C)(C)CC3)c1[O-] ZINC000871598006 1287166009 /nfs/dbraw/zinc/16/60/09/1287166009.db2.gz ZHNPNEIPHJQDBK-UWVJOHFNSA-N -1 3 329.400 2.710 20 30 EFEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnnn2CC)cc1 ZINC000815909869 1287878820 /nfs/dbraw/zinc/87/88/20/1287878820.db2.gz KLOLEGHSRFQDTR-SWLSCSKDSA-N -1 3 339.399 2.773 20 30 EFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnnn2CC)cc1 ZINC000815909868 1287878833 /nfs/dbraw/zinc/87/88/33/1287878833.db2.gz KLOLEGHSRFQDTR-IUODEOHRSA-N -1 3 339.399 2.773 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(OC(F)F)c(F)c1 ZINC000815915259 1287905895 /nfs/dbraw/zinc/90/58/95/1287905895.db2.gz JBPWMIYDXYKMEI-SNVBAGLBSA-N -1 3 349.268 2.783 20 30 EFEDHM Cc1cc2occ(CC(=O)N[C@@H]3CCCN([O-])C3=O)c2cc1C(C)C ZINC000816752585 1288263368 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CCCCCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185622587 1290733972 /nfs/dbraw/zinc/73/39/72/1290733972.db2.gz MZFOKNALWMCLNP-UHFFFAOYSA-N -1 3 337.449 2.506 20 30 EFEDHM N#Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3nsnc3c2)c1 ZINC001186262883 1290916182 /nfs/dbraw/zinc/91/61/82/1290916182.db2.gz GIDSDFAMYVBOKX-UHFFFAOYSA-N -1 3 334.357 2.503 20 30 EFEDHM CCCCCCCCS(=O)(=O)Nc1ccc(C(N)=O)c([O-])c1 ZINC001188018116 1291295745 /nfs/dbraw/zinc/29/57/45/1291295745.db2.gz UQPNBDPXOFSFRA-UHFFFAOYSA-N -1 3 328.434 2.593 20 30 EFEDHM CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000877978914 1291435453 /nfs/dbraw/zinc/43/54/53/1291435453.db2.gz SDAMQIZUNULMGS-CYBMUJFWSA-N -1 3 339.823 2.967 20 30 EFEDHM Cc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1C(F)(F)F ZINC000878102726 1291496237 /nfs/dbraw/zinc/49/62/37/1291496237.db2.gz VQSADEJEBDLGJP-LLVKDONJSA-N -1 3 331.294 2.516 20 30 EFEDHM O=C(Nc1ccc(OC2CCCC2)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000878201591 1291552137 /nfs/dbraw/zinc/55/21/37/1291552137.db2.gz BFDZBJDMNBVORL-OAHLLOKOSA-N -1 3 333.388 2.510 20 30 EFEDHM CC(=O)Nc1sc(C)c(C)c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001188980500 1291553817 /nfs/dbraw/zinc/55/38/17/1291553817.db2.gz CDTZZZQWXHXQDQ-UHFFFAOYSA-N -1 3 346.412 2.763 20 30 EFEDHM O=C(Nc1ccccc1SC(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000878351263 1291640047 /nfs/dbraw/zinc/64/00/47/1291640047.db2.gz UWMALKPEUAPDJE-SECBINFHSA-N -1 3 349.334 2.800 20 30 EFEDHM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cnc(C)[n-]c2=O)c1 ZINC001189284839 1291644369 /nfs/dbraw/zinc/64/43/69/1291644369.db2.gz CXGYSZDYWMWEIX-OAHLLOKOSA-N -1 3 326.400 2.652 20 30 EFEDHM O=C(Nc1cccc(-c2cccs2)c1)N[C@H]1CCCN([O-])C1=O ZINC000878533781 1291704944 /nfs/dbraw/zinc/70/49/44/1291704944.db2.gz BIBSVZKVPKOJJK-ZDUSSCGKSA-N -1 3 331.397 2.917 20 30 EFEDHM CCSc1ccc(Cl)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878624941 1291739671 /nfs/dbraw/zinc/73/96/71/1291739671.db2.gz KAIGAXRIMZMQKZ-JTQLQIEISA-N -1 3 343.836 2.954 20 30 EFEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCOC[C@H]2C(C)C)n1 ZINC001166996432 1312878097 /nfs/dbraw/zinc/87/80/97/1312878097.db2.gz AVNMIFLZZUFUQK-JFEKIERCSA-N -1 3 330.841 2.521 20 30 EFEDHM O=C(Nc1ccc(COC2CCCC2)cc1)N[C@H]1CCCN([O-])C1=O ZINC000878782182 1291783869 /nfs/dbraw/zinc/78/38/69/1291783869.db2.gz ULNVTLABXHQFGU-INIZCTEOSA-N -1 3 347.415 2.648 20 30 EFEDHM O=C(Nc1cccc(N2CCCCCC2)c1)N[C@@H]1CCCN([O-])C1=O ZINC000878787083 1291786046 /nfs/dbraw/zinc/78/60/46/1291786046.db2.gz VUBPYTURHLOREN-MRXNPFEDSA-N -1 3 346.431 2.569 20 30 EFEDHM O=C(Nc1cccc(N2CCCCCC2)c1)N[C@H]1CCCN([O-])C1=O ZINC000878787082 1291786157 /nfs/dbraw/zinc/78/61/57/1291786157.db2.gz VUBPYTURHLOREN-INIZCTEOSA-N -1 3 346.431 2.569 20 30 EFEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC000795978252 1291818500 /nfs/dbraw/zinc/81/85/00/1291818500.db2.gz XPEZMIDXXULLRI-LBPRGKRZSA-N -1 3 329.393 2.635 20 30 EFEDHM Cc1c(COC(C)(C)C)cccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878865341 1291833149 /nfs/dbraw/zinc/83/31/49/1291833149.db2.gz WKADMARYHIQFEF-OAHLLOKOSA-N -1 3 349.431 2.812 20 30 EFEDHM CC(C)(C)OCc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000878894964 1291853555 /nfs/dbraw/zinc/85/35/55/1291853555.db2.gz YJGSSYHVYMRFMR-AWEZNQCLSA-N -1 3 335.404 2.503 20 30 EFEDHM O=C(Nc1ccccc1CCC(F)(F)F)N[C@@H]1CCCN([O-])C1=O ZINC000878912425 1291862115 /nfs/dbraw/zinc/86/21/15/1291862115.db2.gz YFBJZTQQWYJLFA-GFCCVEGCSA-N -1 3 345.321 2.683 20 30 EFEDHM O=C(Nc1ccc(N2CCCCCC2)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000879452646 1292141777 /nfs/dbraw/zinc/14/17/77/1292141777.db2.gz UIUCVWXXASAFKL-MRXNPFEDSA-N -1 3 346.431 2.569 20 30 EFEDHM COc1cnc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190617121 1292228883 /nfs/dbraw/zinc/22/88/83/1292228883.db2.gz DZKRCYQYEHXGJA-UHFFFAOYSA-N -1 3 341.751 2.555 20 30 EFEDHM CCOc1ccc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190660862 1292249249 /nfs/dbraw/zinc/24/92/49/1292249249.db2.gz CQXXYKPZTQWYQN-UHFFFAOYSA-N -1 3 348.399 2.617 20 30 EFEDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(C#N)ccc2F)c(F)c1F ZINC001190665905 1292251424 /nfs/dbraw/zinc/25/14/24/1292251424.db2.gz QQSZRASQKBBNRN-UHFFFAOYSA-N -1 3 340.326 2.763 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)c1 ZINC001190664136 1292252118 /nfs/dbraw/zinc/25/21/18/1292252118.db2.gz CNZFJFVMCGBUPF-OAHLLOKOSA-N -1 3 330.384 2.533 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccc(F)cc2)c1 ZINC001190669413 1292255077 /nfs/dbraw/zinc/25/50/77/1292255077.db2.gz QLAJKKCOEALCFQ-HIFRSBDPSA-N -1 3 334.347 2.671 20 30 EFEDHM CC(C)c1ncc(C[N-]S(=O)(=O)c2cc(C#N)ccc2F)s1 ZINC001190670994 1292255092 /nfs/dbraw/zinc/25/50/92/1292255092.db2.gz PHNWZRXMDBAGIN-UHFFFAOYSA-N -1 3 339.417 2.756 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c1 ZINC001190676462 1292282006 /nfs/dbraw/zinc/28/20/06/1292282006.db2.gz DDKVAIWUCNFNSS-LLVKDONJSA-N -1 3 332.347 2.801 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ncccc2F)C2CC2)c1 ZINC001190676365 1292282238 /nfs/dbraw/zinc/28/22/38/1292282238.db2.gz BDERGWBGHSFJSH-HNNXBMFYSA-N -1 3 349.362 2.661 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)o2)c1 ZINC001190682030 1292283608 /nfs/dbraw/zinc/28/36/08/1292283608.db2.gz SCMQRRYQBMRFCH-UHFFFAOYSA-N -1 3 348.277 2.788 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccc(C#N)cc3[O-])C[C@@H]21 ZINC001233384285 1312918797 /nfs/dbraw/zinc/91/87/97/1312918797.db2.gz PQSIIKMDUHEVLH-HOCLYGCPSA-N -1 3 343.427 2.705 20 30 EFEDHM N#Cc1ccc(CN2CCN(c3ccc(F)c(F)c3)CC2)c([O-])c1 ZINC001233383755 1312919468 /nfs/dbraw/zinc/91/94/68/1312919468.db2.gz UYMVQVSDKGYWGL-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1ccc(C#N)cc1[O-] ZINC001233387766 1312921335 /nfs/dbraw/zinc/92/13/35/1312921335.db2.gz XMIIPFUWYUWJNC-HOTGVXAUSA-N -1 3 343.427 2.848 20 30 EFEDHM CC(C)(C)OC(=O)NCC1(C)CN(Cc2ccc(C#N)cc2[O-])C1 ZINC001233387374 1312921518 /nfs/dbraw/zinc/92/15/18/1312921518.db2.gz GLINUPRBWYLBNE-UHFFFAOYSA-N -1 3 331.416 2.610 20 30 EFEDHM C=CCN1C(=O)CCC12CCN(Cc1c(F)ccc([O-])c1F)CC2 ZINC001233394137 1312923246 /nfs/dbraw/zinc/92/32/46/1312923246.db2.gz BNGJQJKMVVMXCZ-UHFFFAOYSA-N -1 3 336.382 2.813 20 30 EFEDHM COc1cc(F)c(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)cc1F ZINC000903618666 1312951945 /nfs/dbraw/zinc/95/19/45/1312951945.db2.gz ONCUMVVTWWDHLK-AWEZNQCLSA-N -1 3 332.372 2.580 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)cnc1Cl ZINC001192570315 1292916075 /nfs/dbraw/zinc/91/60/75/1292916075.db2.gz DERBVHNOVQAGPP-UHFFFAOYSA-N -1 3 343.742 2.994 20 30 EFEDHM N#CCS(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(Cl)c1 ZINC001192982162 1293115629 /nfs/dbraw/zinc/11/56/29/1293115629.db2.gz GXXZACSKFPQJML-UHFFFAOYSA-N -1 3 337.788 2.579 20 30 EFEDHM C[C@H](C#N)S(=O)(=O)[N-]c1c(F)cc(Cl)cc1Br ZINC001193097764 1293166883 /nfs/dbraw/zinc/16/68/83/1293166883.db2.gz RUHCIMQMBXVKID-RXMQYKEDSA-N -1 3 341.589 2.895 20 30 EFEDHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)[C@@H](C)C#N)c1 ZINC001193146736 1293185776 /nfs/dbraw/zinc/18/57/76/1293185776.db2.gz RYTPAILZRKSERD-ZDUSSCGKSA-N -1 3 332.429 2.709 20 30 EFEDHM Cc1c([N-]S(=O)(=O)[C@@H](C)C#N)cccc1NC(=O)OC(C)(C)C ZINC001193160698 1293189729 /nfs/dbraw/zinc/18/97/29/1293189729.db2.gz HYZVACFFQJGGNZ-JTQLQIEISA-N -1 3 339.417 2.996 20 30 EFEDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2F)c1 ZINC001193428468 1293306055 /nfs/dbraw/zinc/30/60/55/1293306055.db2.gz XTPJFLHKGYOCJE-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM CC(=O)Nc1ccc(NC(=O)c2cc([O-])c(O)c(Cl)c2)cc1C#N ZINC001193626308 1293373923 /nfs/dbraw/zinc/37/39/23/1293373923.db2.gz YQHIDYDOVPHVBI-UHFFFAOYSA-N -1 3 345.742 2.834 20 30 EFEDHM C=CCNC(=O)[C@@H]1CC12CCN(Cc1cc(F)c([O-])cc1F)CC2 ZINC001273677707 1293639991 /nfs/dbraw/zinc/63/99/91/1293639991.db2.gz UNYCQUKDVZPWHI-ZDUSSCGKSA-N -1 3 336.382 2.575 20 30 EFEDHM C[C@@](C#N)([N-]S(=O)(=O)C1CCC(=O)CC1)c1ccccc1Cl ZINC001194821379 1293722796 /nfs/dbraw/zinc/72/27/96/1293722796.db2.gz MMJXPELOZWXNLL-HNNXBMFYSA-N -1 3 340.832 2.510 20 30 EFEDHM N#Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c([O-])c1 ZINC001195764914 1294018345 /nfs/dbraw/zinc/01/83/45/1294018345.db2.gz TXVVYCVRJDNURF-SFHVURJKSA-N -1 3 335.407 2.831 20 30 EFEDHM Cc1nccn1CCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196320357 1294196927 /nfs/dbraw/zinc/19/69/27/1294196927.db2.gz KZWJZTNMSCPWDI-UHFFFAOYSA-N -1 3 346.390 2.866 20 30 EFEDHM CC[C@H](C)n1nccc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC001649166921 1294228098 /nfs/dbraw/zinc/22/80/98/1294228098.db2.gz CPDCTOOKHXXXAZ-STQMWFEESA-N -1 3 326.404 2.662 20 30 EFEDHM COc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c(F)cn1 ZINC001196650160 1294319561 /nfs/dbraw/zinc/31/95/61/1294319561.db2.gz HDEJJKCHRVESEW-UHFFFAOYSA-N -1 3 341.751 2.555 20 30 EFEDHM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1cc([O-])cc(C#N)c1 ZINC001234141649 1313066707 /nfs/dbraw/zinc/06/67/07/1313066707.db2.gz PWYSJNZYPSOSAU-MRXNPFEDSA-N -1 3 325.368 2.605 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](Oc2cc([O-])cc(C#N)c2)[C@H](F)C1 ZINC001234142052 1313067219 /nfs/dbraw/zinc/06/72/19/1313067219.db2.gz SMLYWMNBYRFLAM-CABCVRRESA-N -1 3 336.363 2.990 20 30 EFEDHM CCOC(Cc1c(Nc2ccc(C#N)c(F)c2)nc[n-]c1=O)OCC ZINC001204036736 1313069348 /nfs/dbraw/zinc/06/93/48/1313069348.db2.gz LOYTYEMSDOLXLU-UHFFFAOYSA-N -1 3 346.362 2.878 20 30 EFEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2cccnc2)c(F)c1Cl ZINC001197465680 1294557227 /nfs/dbraw/zinc/55/72/27/1294557227.db2.gz VOPABTKCJQQVKJ-UHFFFAOYSA-N -1 3 325.752 2.688 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccc(OCC(F)(F)F)cn2)ccc1[O-] ZINC001197654385 1294648044 /nfs/dbraw/zinc/64/80/44/1294648044.db2.gz RJXXXOANBRKVFV-UHFFFAOYSA-N -1 3 337.257 2.852 20 30 EFEDHM N#Cc1[nH]cnc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC001197708238 1294684089 /nfs/dbraw/zinc/68/40/89/1294684089.db2.gz UIIUNUKCMWQAHG-UHFFFAOYSA-N -1 3 334.335 2.818 20 30 EFEDHM COC(=O)c1cccc([O-])c1NC(=S)Nc1cccc(C#N)c1 ZINC001197715029 1294687530 /nfs/dbraw/zinc/68/75/30/1294687530.db2.gz VEZQXVURYCPZDN-UHFFFAOYSA-N -1 3 327.365 2.859 20 30 EFEDHM Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000886401274 1294934048 /nfs/dbraw/zinc/93/40/48/1294934048.db2.gz VKZJVYFFSWWKOM-YGRLFVJLSA-N -1 3 327.837 2.794 20 30 EFEDHM CC1=C(Oc2[n-]c(=O)nc3cc(C(F)(F)F)ccc32)C(=O)[C@@H](C)O1 ZINC001234412637 1313122799 /nfs/dbraw/zinc/12/27/99/1313122799.db2.gz STVWSCOOFIBUFU-ZCFIWIBFSA-N -1 3 340.257 2.952 20 30 EFEDHM CC(C)COc1cnccc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001199102171 1295426222 /nfs/dbraw/zinc/42/62/22/1295426222.db2.gz GCFDJMCFYAWFIP-UHFFFAOYSA-N -1 3 328.372 2.556 20 30 EFEDHM N#Cc1ccc(NC(=O)c2ccc([O-])c(=O)[nH]2)c(OC(F)(F)F)c1 ZINC001199199570 1295442808 /nfs/dbraw/zinc/44/28/08/1295442808.db2.gz XZPXPIQPEHWOPB-UHFFFAOYSA-N -1 3 339.229 2.515 20 30 EFEDHM C=CCN1CC[C@@]2(CCN(Cc3cc(Cl)c([O-])cc3F)C2)C1=O ZINC001274118066 1295474597 /nfs/dbraw/zinc/47/45/97/1295474597.db2.gz WNWGHGRQMZSRGM-QGZVFWFLSA-N -1 3 338.810 2.795 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCCN2Cc2sc(=O)[n-]c2Cl)C1=O ZINC001274174104 1295546155 /nfs/dbraw/zinc/54/61/55/1295546155.db2.gz FJMQRKKBHSHWEW-OAHLLOKOSA-N -1 3 341.864 2.645 20 30 EFEDHM C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(Cl)c([O-])c1)CC2 ZINC001274182938 1295549892 /nfs/dbraw/zinc/54/98/92/1295549892.db2.gz XLYIQXUZNYTUOG-AWEZNQCLSA-N -1 3 334.847 2.950 20 30 EFEDHM N#Cc1cccnc1N1CCC(Oc2nc3ccsc3[n-]2)CC1 ZINC001234848481 1313198143 /nfs/dbraw/zinc/19/81/43/1313198143.db2.gz QADULBCZAXYBBF-UHFFFAOYSA-N -1 3 325.397 2.939 20 30 EFEDHM N#Cc1cccnc1N1CCC(Oc2nc3sccc3[n-]2)CC1 ZINC001234848481 1313198144 /nfs/dbraw/zinc/19/81/44/1313198144.db2.gz QADULBCZAXYBBF-UHFFFAOYSA-N -1 3 325.397 2.939 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccn(C(F)F)n1 ZINC000776077694 1296141097 /nfs/dbraw/zinc/14/10/97/1296141097.db2.gz PYSDQQMOZJVOHS-MRVPVSSYSA-N -1 3 338.701 2.893 20 30 EFEDHM C=CCNC(=O)[C@@H]1CC12CCN(Cc1cccc([O-])c1Cl)CC2 ZINC001274723106 1296151655 /nfs/dbraw/zinc/15/16/55/1296151655.db2.gz KRMYDWRVBHJZKF-AWEZNQCLSA-N -1 3 334.847 2.950 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C)cc1C#N ZINC001201323325 1296728202 /nfs/dbraw/zinc/72/82/02/1296728202.db2.gz ATGHAZGVVJFMRN-UHFFFAOYSA-N -1 3 327.409 2.660 20 30 EFEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cnn(CCO)c1 ZINC001201833742 1297118845 /nfs/dbraw/zinc/11/88/45/1297118845.db2.gz CDUFTFNDIAARCB-UHFFFAOYSA-N -1 3 331.482 2.758 20 30 EFEDHM C#CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)C ZINC000928629271 1297119566 /nfs/dbraw/zinc/11/95/66/1297119566.db2.gz RMIASVHUWMGRMZ-UHFFFAOYSA-N -1 3 347.212 2.774 20 30 EFEDHM Cc1nsc(N[C@@H](CNC(=O)c2ccccc2[O-])C2CC2)c1C#N ZINC001096581688 1313407091 /nfs/dbraw/zinc/40/70/91/1313407091.db2.gz NOFPNCMTQRRQCH-AWEZNQCLSA-N -1 3 342.424 2.649 20 30 EFEDHM C=C(Cl)CN1CC[C@H]([C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)C1 ZINC000961150114 1298209356 /nfs/dbraw/zinc/20/93/56/1298209356.db2.gz WGKHOVCBTFBDMA-CABCVRRESA-N -1 3 349.862 2.714 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852060383 1299532883 /nfs/dbraw/zinc/53/28/83/1299532883.db2.gz DTLKNSLVKJNDCL-OCCSQVGLSA-N -1 3 325.334 2.642 20 30 EFEDHM CN1CCc2onc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)c2C1 ZINC001278089796 1313631967 /nfs/dbraw/zinc/63/19/67/1313631967.db2.gz GSAKAXGMHCFGEE-UHFFFAOYSA-N -1 3 342.424 2.727 20 30 EFEDHM CCCC1N=NC(=S)N1N=Cc1ccc(Br)cc1[O-] ZINC000853347531 1300093983 /nfs/dbraw/zinc/09/39/83/1300093983.db2.gz XJLPFEUPNOXKKY-UHFFFAOYSA-N -1 3 341.234 2.870 20 30 EFEDHM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(OCC#N)c2)no1 ZINC000795301690 1300688279 /nfs/dbraw/zinc/68/82/79/1300688279.db2.gz AGKRCEYIUOGKGQ-UHFFFAOYSA-N -1 3 349.412 2.816 20 30 EFEDHM N#Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001096823410 1313728107 /nfs/dbraw/zinc/72/81/07/1313728107.db2.gz JPEVPMWWUPLPMC-QRQLOZEOSA-N -1 3 347.418 2.799 20 30 EFEDHM C=CCCO[N-]C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000856030485 1301210580 /nfs/dbraw/zinc/21/05/80/1301210580.db2.gz GARURCCRNMRBSZ-OAHLLOKOSA-N -1 3 331.416 2.863 20 30 EFEDHM C=CCCO[N-]C(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000856032683 1301212752 /nfs/dbraw/zinc/21/27/52/1301212752.db2.gz SKOPYAUDZJZJRN-LBPRGKRZSA-N -1 3 332.429 2.532 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cn(CC)nc1C ZINC000860472022 1301818392 /nfs/dbraw/zinc/81/83/92/1301818392.db2.gz ZOOZBMLBHUIAGM-CYBMUJFWSA-N -1 3 340.383 2.571 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC[C@H](NC(=O)c3ccccc3[O-])CC2)C1 ZINC000964763141 1302321891 /nfs/dbraw/zinc/32/18/91/1302321891.db2.gz IRFZRMCLSOCAOF-HNNXBMFYSA-N -1 3 342.439 2.859 20 30 EFEDHM CCn1c(=O)c2ccccc2nc1NN=Cc1c(F)ccc([O-])c1F ZINC000794481704 1302522018 /nfs/dbraw/zinc/52/20/18/1302522018.db2.gz GSFCTARLEGPLPS-UHFFFAOYSA-N -1 3 344.321 2.846 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)c3ccccc3[O-])C2)C1 ZINC001018399059 1313844951 /nfs/dbraw/zinc/84/49/51/1313844951.db2.gz VNYYUTCPUGRURW-LSDHHAIUSA-N -1 3 342.439 2.858 20 30 EFEDHM C=CCCC1(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001097099230 1313851243 /nfs/dbraw/zinc/85/12/43/1313851243.db2.gz YTAAXHKEIPPNSH-HAQNSBGRSA-N -1 3 346.387 2.501 20 30 EFEDHM C[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000965266065 1303092801 /nfs/dbraw/zinc/09/28/01/1303092801.db2.gz FYKRFKOZKGQIGU-KXBFYZLASA-N -1 3 349.434 2.904 20 30 EFEDHM C[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)c1ccccc1[O-] ZINC000965266060 1303093018 /nfs/dbraw/zinc/09/30/18/1303093018.db2.gz FYKRFKOZKGQIGU-BEFAXECRSA-N -1 3 349.434 2.904 20 30 EFEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(C[C@H]2CCCO2)nn1 ZINC000865217092 1303191586 /nfs/dbraw/zinc/19/15/86/1303191586.db2.gz JJCJFHHVQHBBQO-MDZZONKASA-N -1 3 343.358 2.685 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001018599820 1313963162 /nfs/dbraw/zinc/96/31/62/1313963162.db2.gz VXEYZLUZYZAAHV-HUUCEWRRSA-N -1 3 344.455 2.819 20 30 EFEDHM COc1cc(C(F)(F)F)c(C#N)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241442613 1314119069 /nfs/dbraw/zinc/11/90/69/1314119069.db2.gz ONULTASKHSWAHP-UHFFFAOYSA-N -1 3 346.272 2.828 20 30 EFEDHM COc1cc(C(F)(F)F)c(C#N)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241442613 1314119072 /nfs/dbraw/zinc/11/90/72/1314119072.db2.gz ONULTASKHSWAHP-UHFFFAOYSA-N -1 3 346.272 2.828 20 30 EFEDHM C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccccc2[O-])C1 ZINC000968543140 1306443503 /nfs/dbraw/zinc/44/35/03/1306443503.db2.gz MMHPKBIYOQHVOO-GASCZTMLSA-N -1 3 340.423 2.564 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2[O-])cn1 ZINC001045346533 1307262760 /nfs/dbraw/zinc/26/27/60/1307262760.db2.gz ZDUJWQJWXKUCJV-IAGOWNOFSA-N -1 3 336.395 2.812 20 30 EFEDHM C=CC(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001007076213 1307271174 /nfs/dbraw/zinc/27/11/74/1307271174.db2.gz GNWLGBHDDKVSGH-XOBRGWDASA-N -1 3 342.439 2.715 20 30 EFEDHM C=CC(C)(C)CC(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066863581 1307348278 /nfs/dbraw/zinc/34/82/78/1307348278.db2.gz AFCYENGOEKBTND-UHFFFAOYSA-N -1 3 332.444 2.915 20 30 EFEDHM C=C[C@@H](CC)CC(=O)N(C)CCCN(C)C(=O)c1ccccc1[O-] ZINC001066870637 1307406446 /nfs/dbraw/zinc/40/64/46/1307406446.db2.gz IBWJDQOQMYSIBC-HNNXBMFYSA-N -1 3 332.444 2.915 20 30 EFEDHM N#Cc1cccc(C2(NC(=O)c3nnc4ccccc4c3[O-])CC2)c1 ZINC000749015919 1314243717 /nfs/dbraw/zinc/24/37/17/1314243717.db2.gz PQHIAOXSKSCDIW-UHFFFAOYSA-N -1 3 330.347 2.626 20 30 EFEDHM C[C@@]1(NC(=O)c2ccccc2[O-])CCN(Cc2ccccc2C#N)C1 ZINC001046146417 1308319967 /nfs/dbraw/zinc/31/99/67/1308319967.db2.gz HFPZJULBHZCFLL-HXUWFJFHSA-N -1 3 335.407 2.658 20 30 EFEDHM COC(=O)[C@H](C#N)c1nc2ccccc2nc1-c1cccc([O-])c1F ZINC001243543158 1314296472 /nfs/dbraw/zinc/29/64/72/1314296472.db2.gz DUCLKRHHSHOYBZ-LLVKDONJSA-N -1 3 337.310 2.922 20 30 EFEDHM CC(=O)N1CCN(c2ccc(-c3ccc(/C=N/[O-])c(F)c3)cc2)CC1 ZINC001243652765 1314308429 /nfs/dbraw/zinc/30/84/29/1314308429.db2.gz LMUMNQJGDJYRAD-FYJGNVAPSA-N -1 3 341.386 2.969 20 30 EFEDHM CN1CCN(c2ccc(Nc3ccc([O-])c(C#N)c3)cc2C#N)CC1 ZINC001210529272 1314347059 /nfs/dbraw/zinc/34/70/59/1314347059.db2.gz MABPHBXKIYJPDB-UHFFFAOYSA-N -1 3 333.395 2.631 20 30 EFEDHM COC(=O)c1cccc(C(=O)OC)c1Nc1ccc([O-])c(C#N)c1 ZINC001210533122 1314347661 /nfs/dbraw/zinc/34/76/61/1314347661.db2.gz VSHHSXSNQHPQNX-UHFFFAOYSA-N -1 3 326.308 2.581 20 30 EFEDHM N#Cc1ccc(N[C@@H]2CC[C@H](CNC(=O)c3ccccc3[O-])C2)cn1 ZINC001047160517 1310220968 /nfs/dbraw/zinc/22/09/68/1310220968.db2.gz DWKGLWYVGMFNPQ-UONOGXRCSA-N -1 3 336.395 2.669 20 30 EFEDHM O=C(c1cn(Cc2cccc(F)c2)nn1)N([O-])Cc1ccc(F)cc1 ZINC000901372333 1310255477 /nfs/dbraw/zinc/25/54/77/1310255477.db2.gz WOMBNKMTQRDCPA-UHFFFAOYSA-N -1 3 344.321 2.636 20 30 EFEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)nn1C1CCOCC1 ZINC000901373433 1310257802 /nfs/dbraw/zinc/25/78/02/1310257802.db2.gz ZTWGOHIIBSZTQL-UHFFFAOYSA-N -1 3 333.363 2.714 20 30 EFEDHM CCN(C)C(=O)c1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC000901373952 1310261752 /nfs/dbraw/zinc/26/17/52/1310261752.db2.gz ALWVSXAEONYLDI-UHFFFAOYSA-N -1 3 330.359 2.949 20 30 EFEDHM O=C([C@H]1CCN(c2ccc(F)cc2)C1=O)N([O-])Cc1ccc(F)cc1 ZINC000901373968 1310262805 /nfs/dbraw/zinc/26/28/05/1310262805.db2.gz BGYQHQOFDFCIQE-INIZCTEOSA-N -1 3 346.333 2.736 20 30 EFEDHM O=C(CCNc1ccccc1[N+](=O)[O-])N([O-])Cc1ccc(F)cc1 ZINC000901375688 1310265495 /nfs/dbraw/zinc/26/54/95/1310265495.db2.gz JZVSAQUMMRCQNW-UHFFFAOYSA-N -1 3 333.319 2.954 20 30 EFEDHM Cn1ncc([N+](=O)[O-])c1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378590 1310274821 /nfs/dbraw/zinc/27/48/21/1310274821.db2.gz NJKBOXLAXQCJCJ-UHFFFAOYSA-N -1 3 345.142 2.667 20 30 EFEDHM O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901378778 1310275086 /nfs/dbraw/zinc/27/50/86/1310275086.db2.gz KSOCPKMBMTVBEU-INIZCTEOSA-N -1 3 342.370 2.592 20 30 EFEDHM C=CCOc1c(Cl)cc(CN2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000901453541 1310505182 /nfs/dbraw/zinc/50/51/82/1310505182.db2.gz OOXOTCAPTDZJMR-CYBMUJFWSA-N -1 3 325.792 2.962 20 30 EFEDHM C#CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1 ZINC000901529916 1310616436 /nfs/dbraw/zinc/61/64/36/1310616436.db2.gz LVFJPWNPQSABSV-LJQANCHMSA-N -1 3 337.375 2.549 20 30 EFEDHM C=C1CCC(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001012326392 1310994080 /nfs/dbraw/zinc/99/40/80/1310994080.db2.gz OYAPVMMIJQLUFZ-HOCLYGCPSA-N -1 3 342.439 2.858 20 30 EFEDHM CO[C@@H]1CCN(c2nc(SC)nc(Cl)c2/C=N/[O-])[C@H](C)C1 ZINC001158893615 1311410901 /nfs/dbraw/zinc/41/09/01/1311410901.db2.gz SMEIQMFTPYFNHS-BYNQCWIMSA-N -1 3 330.841 2.664 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2C[C@H]3C[C@@H]2CN3C(=O)OC(C)(C)C)[n-]1 ZINC001225467102 1311527501 /nfs/dbraw/zinc/52/75/01/1311527501.db2.gz KVWSQMROTYHZHN-LALPHHSUSA-N -1 3 345.399 2.744 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@H]2[C@@H]3CC[C@H]2N(C(=O)OC(C)(C)C)C3)[n-]1 ZINC001225468279 1311528151 /nfs/dbraw/zinc/52/81/51/1311528151.db2.gz NQWMONJWXOSXEV-KYOSRNDESA-N -1 3 345.399 2.744 20 30 EFEDHM Cc1cc(=O)c(C#N)c(O[C@@H]2C=CCN(C(=O)OC(C)(C)C)C2)[n-]1 ZINC001225470055 1311528412 /nfs/dbraw/zinc/52/84/12/1311528412.db2.gz PVIZEPALZORMLK-GFCCVEGCSA-N -1 3 331.372 2.522 20 30 EFEDHM Cc1cc([O-])c(I)c(O[C@H]2C=CC(=O)C2)c1 ZINC001225509971 1311534123 /nfs/dbraw/zinc/53/41/23/1311534123.db2.gz AJRFUBJCXVESQH-VIFPVBQESA-N -1 3 330.121 2.582 20 30 EFEDHM CC(=O)c1ccc([O-])c(O[C@@H]2C[C@@H](C#N)N(C(=O)OC(C)(C)C)C2)c1 ZINC001225992836 1311599218 /nfs/dbraw/zinc/59/92/18/1311599218.db2.gz CFSKYCXSCQZPDJ-UONOGXRCSA-N -1 3 346.383 2.875 20 30 EFEDHM CC(=O)c1ccc([O-])c(O[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC001225998531 1311599862 /nfs/dbraw/zinc/59/98/62/1311599862.db2.gz MNEKMZUMPCKDRF-CJNGLKHVSA-N -1 3 346.383 2.733 20 30 EFEDHM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1cccc(/C=N/[O-])c1 ZINC001226114687 1311615324 /nfs/dbraw/zinc/61/53/24/1311615324.db2.gz PBPNONQISJZGBQ-ZVCOJXFSSA-N -1 3 327.384 2.836 20 30 EFEDHM [O-]/N=C/c1cccc(OC2CCN(c3ccnc(Cl)n3)CC2)c1 ZINC001226114659 1311615488 /nfs/dbraw/zinc/61/54/88/1311615488.db2.gz OCXYOOUGXYOIBS-YBFXNURJSA-N -1 3 332.791 2.986 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1c(Cl)ccc2c(Cl)ncnc21 ZINC001160178968 1311660107 /nfs/dbraw/zinc/66/01/07/1311660107.db2.gz RADNXEIDWYKOST-RCOVLWMOSA-N -1 3 327.171 2.585 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@H]2Oc1cc(C#N)ccc1[O-] ZINC001227345340 1311796359 /nfs/dbraw/zinc/79/63/59/1311796359.db2.gz NBYTUSYSTJQUQQ-VIKVFOODSA-N -1 3 330.384 2.898 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Oc2cc(C#N)ccc2[O-])C1 ZINC001227349541 1311796832 /nfs/dbraw/zinc/79/68/32/1311796832.db2.gz HPHAMWOLBMFCAY-DOMZBBRYSA-N -1 3 336.363 2.990 20 30 EFEDHM C[C@H](Oc1cc(C#N)ccc1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001227349355 1311797017 /nfs/dbraw/zinc/79/70/17/1311797017.db2.gz HDPBUCHCUSIFOT-YWZLYKJASA-N -1 3 338.407 2.932 20 30 EFEDHM C#C[C@@H](C)Oc1cc(OC)cc2c1C(=O)c1c([O-])cc(C)cc1C2=O ZINC001227392814 1311801902 /nfs/dbraw/zinc/80/19/02/1311801902.db2.gz LSXHSXHYDSLSMK-LLVKDONJSA-N -1 3 336.343 2.885 20 30 EFEDHM CCCCCCCCN1Cc2[nH]nc(C(=O)[N-]c3nnco3)c2C1 ZINC001277226508 1311832714 /nfs/dbraw/zinc/83/27/14/1311832714.db2.gz ZBMZRUFNLMVHGW-UHFFFAOYSA-N -1 3 332.408 2.721 20 30 EFEDHM CC[C@@H](C#CC(=O)OC)Oc1cc(C(=O)c2ccccc2)ccc1[O-] ZINC001228154834 1311908955 /nfs/dbraw/zinc/90/89/55/1311908955.db2.gz OKASOSACLKODDA-INIZCTEOSA-N -1 3 338.359 2.957 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3[O-])[C@@H]2C)C1 ZINC001015210507 1311979994 /nfs/dbraw/zinc/97/99/94/1311979994.db2.gz XTIKNVVYSVXRKC-ZBFHGGJFSA-N -1 3 342.439 2.858 20 30 EFEDHM C#CCN1CCC(N(Cc2ccccn2)C(=O)c2ccccc2[O-])CC1 ZINC001048623659 1311980048 /nfs/dbraw/zinc/98/00/48/1311980048.db2.gz GPVIJJQIEPNLQF-UHFFFAOYSA-N -1 3 349.434 2.527 20 30 EFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1nnc(-c2ccncc2)[n-]1 ZINC001228700658 1311984330 /nfs/dbraw/zinc/98/43/30/1311984330.db2.gz VGLIKUCWVMLTHF-CQSZACIVSA-N -1 3 340.770 2.980 20 30 EFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1nc(-c2ccncc2)n[n-]1 ZINC001228700658 1311984334 /nfs/dbraw/zinc/98/43/34/1311984334.db2.gz VGLIKUCWVMLTHF-CQSZACIVSA-N -1 3 340.770 2.980 20 30 EFEDHM C#C[C@H](COc1cccc(Cl)c1)Oc1n[n-]c(-c2ccncc2)n1 ZINC001228700658 1311984338 /nfs/dbraw/zinc/98/43/38/1311984338.db2.gz VGLIKUCWVMLTHF-CQSZACIVSA-N -1 3 340.770 2.980 20 30 EFEDHM CCOC(=O)Cc1cnc(=S)[n-]c1O[C@@H](C)c1ccccc1C#N ZINC001228713956 1311987277 /nfs/dbraw/zinc/98/72/77/1311987277.db2.gz OFLIETOVYIDLSH-NSHDSACASA-N -1 3 343.408 2.883 20 30 EFEDHM CC[C@@H]1OC(C)=C(Oc2cc(O)cc([O-])c2Br)C1=O ZINC001229096538 1312047518 /nfs/dbraw/zinc/04/75/18/1312047518.db2.gz FFWXHQURCUYXAL-VIFPVBQESA-N -1 3 329.146 2.849 20 30 EFEDHM Cc1ncc(Nc2ccc(COc3ccc(CC#N)cc3)cn2)c(=O)[n-]1 ZINC001162302558 1312084620 /nfs/dbraw/zinc/08/46/20/1312084620.db2.gz IJZAKXFRTZYYDJ-QGZVFWFLSA-N -1 3 347.378 2.537 20 30 EFEDHM C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1Oc1nc(C)[n-]c(=O)c1C ZINC001229686796 1312123399 /nfs/dbraw/zinc/12/33/99/1312123399.db2.gz UYZBYBWGFNQFIC-ZDUSSCGKSA-N -1 3 335.404 2.743 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)CC1CCOCC1 ZINC000803015192 1312206026 /nfs/dbraw/zinc/20/60/26/1312206026.db2.gz IDBUQEXVMBGPCI-GFCCVEGCSA-N -1 3 346.427 2.957 20 30 EFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000903108904 1312363791 /nfs/dbraw/zinc/36/37/91/1312363791.db2.gz WTIGJYNHEAFBIC-IJLUTSLNSA-N -1 3 339.288 2.962 20 30 EFEDHM C#C[C@@H](COc1cccc(Cl)c1)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001231076176 1312423701 /nfs/dbraw/zinc/42/37/01/1312423701.db2.gz JELMSDUCJVJKJW-AWEZNQCLSA-N -1 3 340.770 2.980 20 30 EFEDHM C#C[C@@H](COc1cccc(Cl)c1)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001231076176 1312423704 /nfs/dbraw/zinc/42/37/04/1312423704.db2.gz JELMSDUCJVJKJW-AWEZNQCLSA-N -1 3 340.770 2.980 20 30 EFEDHM CCOC(=O)c1c(Cl)[n-]c(=O)cc1OC1=C(CC)O[C@H](C)C1=O ZINC001231090445 1312428569 /nfs/dbraw/zinc/42/85/69/1312428569.db2.gz IGNHBMZBVSZXQA-SSDOTTSWSA-N -1 3 341.747 2.606 20 30 EFEDHM N#Cc1c(Cl)nc(Cl)c(NCCCc2c[n-][nH]c2=O)c1Cl ZINC001164373086 1312502939 /nfs/dbraw/zinc/50/29/39/1312502939.db2.gz ZUAPUEMOVVRXQT-LURJTMIESA-N -1 3 346.605 2.837 20 30 EFEDHM CCOC(=O)CN(CCC#N)Cc1ccc([O-])c(C(F)(F)F)c1 ZINC001231525950 1312519012 /nfs/dbraw/zinc/51/90/12/1312519012.db2.gz JQSDQPLAKUPXBN-UHFFFAOYSA-N -1 3 330.306 2.690 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=S)NCC(C)C)c(C)c1[O-] ZINC001245246088 1314456266 /nfs/dbraw/zinc/45/62/66/1314456266.db2.gz WHDKCBJVSHZTFG-UHFFFAOYSA-N -1 3 335.429 2.691 20 30 EFEDHM C=CCCNC(=S)Nc1c(C)c([O-])c(C(=O)OCC)cc1C#N ZINC001247650423 1314815317 /nfs/dbraw/zinc/81/53/17/1314815317.db2.gz UZUXKESZJUJUNL-UHFFFAOYSA-N -1 3 333.413 2.612 20 30 EFEDHM N#Cc1ncc(F)cc1[N-]C(=S)NC(=O)c1ccc(Cl)cc1 ZINC001248152030 1314896416 /nfs/dbraw/zinc/89/64/16/1314896416.db2.gz PDPLTKSAFROJPA-UHFFFAOYSA-N -1 3 334.763 2.873 20 30 EFEDHM N#Cc1nc(N)c([N-]c2cc(-c3ccccc3)cnc2F)nc1C#N ZINC001216069978 1314908073 /nfs/dbraw/zinc/90/80/73/1314908073.db2.gz GKZBXMRNLUPLBU-UHFFFAOYSA-N -1 3 331.314 2.747 20 30 EFEDHM COc1ncc(Nc2c(C#N)cnn2-c2ccc(F)cc2)cc1[O-] ZINC001216206206 1314926384 /nfs/dbraw/zinc/92/63/84/1314926384.db2.gz ODENFTCHWCGKSU-UHFFFAOYSA-N -1 3 325.303 2.736 20 30 EFEDHM CCOC(Cc1c(Nc2cccc(C#N)c2F)nc[n-]c1=O)OCC ZINC001216413773 1314950930 /nfs/dbraw/zinc/95/09/30/1314950930.db2.gz ZEHWKFQAGFLKCP-UHFFFAOYSA-N -1 3 346.362 2.878 20 30 EFEDHM CCc1cc(C#N)ccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001248753018 1314958325 /nfs/dbraw/zinc/95/83/25/1314958325.db2.gz MDIGMCZCYLXYFA-UHFFFAOYSA-N -1 3 349.434 2.784 20 30 EFEDHM CC#CCN1Cc2ccccc2C[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001054031436 1315190456 /nfs/dbraw/zinc/19/04/56/1315190456.db2.gz CSHYBNZIZANMRF-GOSISDBHSA-N -1 3 334.419 2.572 20 30 EFEDHM N#C[C@@H]([N-]S(=O)(=O)c1cccc2cccnc21)c1ccc(F)cc1 ZINC001251030720 1315312744 /nfs/dbraw/zinc/31/27/44/1315312744.db2.gz NIFCPOSNVXIWRC-OAHLLOKOSA-N -1 3 341.367 2.917 20 30 EFEDHM CN1CCN(c2cccc3[nH]c(-c4cc(C#N)ccc4[O-])nc32)CC1 ZINC001251180427 1315328960 /nfs/dbraw/zinc/32/89/60/1315328960.db2.gz VKCYTTOWCOSGSF-UHFFFAOYSA-N -1 3 333.395 2.559 20 30 EFEDHM C=C(Cl)CN1CC[C@H]([C@@H]2CCCCN2C(=O)c2ncccc2[O-])C1 ZINC001039198625 1315608660 /nfs/dbraw/zinc/60/86/60/1315608660.db2.gz KFKIWXPDKOOUIX-GJZGRUSLSA-N -1 3 349.862 2.856 20 30 EFEDHM C=CCCCC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001056238280 1315611597 /nfs/dbraw/zinc/61/15/97/1315611597.db2.gz SSLODGWCYQWDSY-SJORKVTESA-N -1 3 342.439 2.954 20 30 EFEDHM CC#CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001051355185 1315854336 /nfs/dbraw/zinc/85/43/36/1315854336.db2.gz KRAVOUKWDWZUQJ-HZPDHXFCSA-N -1 3 342.439 2.553 20 30 EFEDHM C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001052034487 1315902207 /nfs/dbraw/zinc/90/22/07/1315902207.db2.gz QZRUISLYBLGJBF-HUUCEWRRSA-N -1 3 330.428 2.573 20 30 EFEDHM N#Cc1cccc(OCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC001256548339 1315955764 /nfs/dbraw/zinc/95/57/64/1315955764.db2.gz PIBDMJUTKVUMPC-UHFFFAOYSA-N -1 3 342.829 2.630 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2F)cc1OC ZINC001257090168 1316031999 /nfs/dbraw/zinc/03/19/99/1316031999.db2.gz YABLZOAEVWVKJW-UHFFFAOYSA-N -1 3 336.344 2.515 20 30 EFEDHM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(F)c1 ZINC001258026797 1316113857 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CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)cc1 ZINC001259176835 1316215231 /nfs/dbraw/zinc/21/52/31/1316215231.db2.gz NJFGNDYOBIAPTI-UHFFFAOYSA-N -1 3 336.319 2.840 20 30 EFEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc2ncsc2c1)c1ccc(F)cc1 ZINC001259399078 1316237136 /nfs/dbraw/zinc/23/71/36/1316237136.db2.gz XIBQAFACQCILJV-CQSZACIVSA-N -1 3 347.396 2.979 20 30 EFEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c(Cl)n1 ZINC001259412350 1316239394 /nfs/dbraw/zinc/23/93/94/1316239394.db2.gz CZODHHSIEFGSAZ-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM COc1c(F)ccc([N-]S(=O)(=O)c2ccc(F)c(C#N)c2)c1F ZINC001259417233 1316239675 /nfs/dbraw/zinc/23/96/75/1316239675.db2.gz DHMAAZQIUBSBHU-UHFFFAOYSA-N -1 3 342.298 2.785 20 30 EFEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)s1 ZINC001259461441 1316246253 /nfs/dbraw/zinc/24/62/53/1316246253.db2.gz SOIGZJDFLSOXJP-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1C#N ZINC001259490361 1316250717 /nfs/dbraw/zinc/25/07/17/1316250717.db2.gz MSVUOEQUUIBUNK-UHFFFAOYSA-N -1 3 347.371 2.765 20 30 EFEDHM C=CCS(=O)(=O)[N-][C@H](C(=O)OCC)c1cccc2ccccc21 ZINC001259934424 1316299588 /nfs/dbraw/zinc/29/95/88/1316299588.db2.gz RBJNSAQKEGIKMK-INIZCTEOSA-N -1 3 333.409 2.549 20 30 EFEDHM C#Cc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC001260453274 1316339706 /nfs/dbraw/zinc/33/97/06/1316339706.db2.gz WOPAGMKMECLMRC-UHFFFAOYSA-N -1 3 325.345 2.575 20 30 EFEDHM N#Cc1coc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC001261013728 1316384628 /nfs/dbraw/zinc/38/46/28/1316384628.db2.gz ANJUOQUNWFPYPZ-UHFFFAOYSA-N -1 3 348.277 2.788 20 30 EFEDHM C=CCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001073314648 1316448067 /nfs/dbraw/zinc/44/80/67/1316448067.db2.gz FZUGMTVMJBKJET-MRXNPFEDSA-N -1 3 330.428 2.715 20 30 EFEDHM C=C(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001073727705 1316469022 /nfs/dbraw/zinc/46/90/22/1316469022.db2.gz IAFBYBDKBUHHPD-GOEBONIOSA-N -1 3 330.428 2.715 20 30 EFEDHM C=CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001074164733 1316504003 /nfs/dbraw/zinc/50/40/03/1316504003.db2.gz JBOUJUPRRLQSPL-GDBMZVCRSA-N -1 3 330.428 2.715 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001263285354 1316526726 /nfs/dbraw/zinc/52/67/26/1316526726.db2.gz FHKQGNCOCURRJH-SWLSCSKDSA-N -1 3 342.447 2.950 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001263285291 1316526843 /nfs/dbraw/zinc/52/68/43/1316526843.db2.gz CSGAFOITPFDMGN-CHWSQXEVSA-N -1 3 342.447 2.808 20 30 EFEDHM C[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C#CC(C)(C)C ZINC001074830489 1316535519 /nfs/dbraw/zinc/53/55/19/1316535519.db2.gz HOUAHMOZKQLURH-GJZGRUSLSA-N -1 3 342.439 2.551 20 30 EFEDHM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1nc(N)c2ccccc2n1 ZINC001263375718 1316538872 /nfs/dbraw/zinc/53/88/72/1316538872.db2.gz WJJHEDUQRBJSHW-AWEZNQCLSA-N -1 3 330.347 2.637 20 30 EFEDHM N#Cc1ccc(N[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C23CCC3)nc1 ZINC001041548252 1316585800 /nfs/dbraw/zinc/58/58/00/1316585800.db2.gz LDACNYNGJCPAIO-IRXDYDNUSA-N -1 3 348.406 2.812 20 30 EFEDHM N#Cc1ccc(N[C@@H]2C[C@@H](NC(=O)c3ccccc3[O-])C23CCC3)nc1 ZINC001041548250 1316585934 /nfs/dbraw/zinc/58/59/34/1316585934.db2.gz LDACNYNGJCPAIO-IAGOWNOFSA-N -1 3 348.406 2.812 20 30 EFEDHM N#Cc1ccc(N[C@@H]2C[C@@H](NC(=O)c3ccccc3[O-])C23CCC3)cn1 ZINC001041550077 1316586919 /nfs/dbraw/zinc/58/69/19/1316586919.db2.gz VYRWALJZJPJNIG-QZTJIDSGSA-N -1 3 348.406 2.812 20 30 EFEDHM Nc1cnnc(N=NCc2ccc([O-])c(Br)c2)c1Cl ZINC001319197284 1328805248 /nfs/dbraw/zinc/80/52/48/1328805248.db2.gz VNYDTPVBGWARGP-UHFFFAOYSA-N -1 3 342.584 2.626 20 30 EFEDHM N#CCc1ccnc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1 ZINC001294623855 1322534055 /nfs/dbraw/zinc/53/40/55/1322534055.db2.gz KXDBIUMHCULCJL-UHFFFAOYSA-N -1 3 340.289 2.520 20 30 EFEDHM Cc1ccc(CSc2nc(NC(=O)c3ccc(C#N)[nH]3)n[n-]2)cc1 ZINC001305443930 1324683253 /nfs/dbraw/zinc/68/32/53/1324683253.db2.gz AOJHRLZLGZUDNA-UHFFFAOYSA-N -1 3 338.396 2.858 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nnc([C@@H](C)CC)o2)ccc1F ZINC001322310375 1329445741 /nfs/dbraw/zinc/44/57/41/1329445741.db2.gz ALQGVCQKOWKITC-JTQLQIEISA-N -1 3 339.392 2.854 20 30 EFEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001328002331 1330540492 /nfs/dbraw/zinc/54/04/92/1330540492.db2.gz YVAJHKAFBYOUCF-MRVPVSSYSA-N -1 3 340.754 2.834 20 30 EFEDHM C=C(C)C[C@@H](NCc1c(C)nn(-c2ccccn2)c1Cl)C(=O)[O-] ZINC001334841468 1331315275 /nfs/dbraw/zinc/31/52/75/1331315275.db2.gz NLCUANATQZILEF-CYBMUJFWSA-N -1 3 334.807 2.738 20 30 EFEDHM C#CCOc1ccccc1CNC[C@@H](CCC(=O)[O-])C(F)(F)F ZINC001334841480 1331315538 /nfs/dbraw/zinc/31/55/38/1331315538.db2.gz NOZFWGNSDANYPW-CYBMUJFWSA-N -1 3 329.318 2.832 20 30 EFEDHM C=CCN(Cc1cccs1)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C ZINC001338747352 1331732534 /nfs/dbraw/zinc/73/25/34/1331732534.db2.gz ZRVBPHGORCOEBO-UHFFFAOYSA-N -1 3 342.428 2.540 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](CC)CC1 ZINC001339606924 1331910604 /nfs/dbraw/zinc/91/06/04/1331910604.db2.gz PDAOUBUEECRQEH-ZDUSSCGKSA-N -1 3 328.420 2.643 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)CCC(C)(C)C ZINC001342128885 1332307646 /nfs/dbraw/zinc/30/76/46/1332307646.db2.gz JBRZNARQNDDCIH-UHFFFAOYSA-N -1 3 330.436 2.889 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(C(C)C)CC1 ZINC001343581240 1332360020 /nfs/dbraw/zinc/36/00/20/1332360020.db2.gz NYHIZEZKBICVRU-UHFFFAOYSA-N -1 3 342.447 2.889 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)[C@H](C)CCSC ZINC001343639112 1332364907 /nfs/dbraw/zinc/36/49/07/1332364907.db2.gz FZOUKEOVZUAXCA-LLVKDONJSA-N -1 3 337.449 2.793 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(OC(C)C)CC1 ZINC001343639935 1332364989 /nfs/dbraw/zinc/36/49/89/1332364989.db2.gz KVXMLEMNCNUURE-UHFFFAOYSA-N -1 3 347.419 2.609 20 30 EFEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001344126378 1332404603 /nfs/dbraw/zinc/40/46/03/1332404603.db2.gz QENDLJVUVZDKTC-ZETCQYMHSA-N -1 3 328.743 2.997 20 30 EFEDHM COCc1ccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cc1 ZINC001344539275 1332462062 /nfs/dbraw/zinc/46/20/62/1332462062.db2.gz DCEFFOXAGFCCAI-OAHLLOKOSA-N -1 3 332.363 2.848 20 30 EFEDHM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc(N)c2ccccc2n1 ZINC001344555824 1332463115 /nfs/dbraw/zinc/46/31/15/1332463115.db2.gz CJSXDHNLBDQLQF-OAHLLOKOSA-N -1 3 330.347 2.732 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1ccc(OCC(F)(F)F)cn1 ZINC001346096012 1332598516 /nfs/dbraw/zinc/59/85/16/1332598516.db2.gz MHDGVZNXMAKMRU-LLVKDONJSA-N -1 3 338.289 2.729 20 30 EFEDHM C=C(C)CN(C)c1nnc(-c2c[n-]oc2=O)n1Cc1cccs1 ZINC001348462216 1332838830 /nfs/dbraw/zinc/83/88/30/1332838830.db2.gz WVMYCTZSKODNAY-UHFFFAOYSA-N -1 3 331.401 2.761 20 30 EFEDHM C=CCO[C@H]1CCN(Cc2oc(-c3ccccc3)nc2C(=O)[O-])C1 ZINC001349591004 1332973076 /nfs/dbraw/zinc/97/30/76/1332973076.db2.gz FDYJPBIJQACTSY-AWEZNQCLSA-N -1 3 328.368 2.817 20 30 EFEDHM CC(C)n1ncc2cc(C([O-])=C(C#N)c3ncc(Cl)n3C)cnc21 ZINC001349701340 1332986457 /nfs/dbraw/zinc/98/64/57/1332986457.db2.gz DFLIXKPQYZGMPM-GFCCVEGCSA-N -1 3 342.790 2.889 20 30 EFEDHM C=C[C@@H](CCC(=O)[O-])NCc1cn2ccc(Br)cc2n1 ZINC001350652751 1333109285 /nfs/dbraw/zinc/10/92/85/1333109285.db2.gz JVFNUAPXVZQGPX-NSHDSACASA-N -1 3 338.205 2.606 20 30 EFEDHM C[C@@H]1CCC[C@@H](OCCCCCC(=O)N[C@H]2CCCN([O-])C2=O)C1 ZINC000848134765 1334346766 /nfs/dbraw/zinc/34/67/66/1334346766.db2.gz DNLOJRCHVQTUDJ-OAGGEKHMSA-N -1 3 340.464 2.639 20 30 EFEDHM Cc1nc(C2CCCCC2)sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848136031 1334348252 /nfs/dbraw/zinc/34/82/52/1334348252.db2.gz RSWHNCVQDHRXKZ-GFCCVEGCSA-N -1 3 337.445 2.609 20 30 EFEDHM C[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(Cl)c(Cl)c1 ZINC000848135201 1334348365 /nfs/dbraw/zinc/34/83/65/1334348365.db2.gz AQMJJSCTKVFUTH-PRHODGIISA-N -1 3 331.199 2.593 20 30 EFEDHM O=C(Cc1coc2ccc3ccccc3c12)N[C@@H]1CCCN([O-])C1=O ZINC000848137965 1334349813 /nfs/dbraw/zinc/34/98/13/1334349813.db2.gz LIPHYERDQOQHMB-OAHLLOKOSA-N -1 3 338.363 2.625 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1SCc1ccco1 ZINC000848137327 1334349919 /nfs/dbraw/zinc/34/99/19/1334349919.db2.gz DDZYRJUMEFARLS-CQSZACIVSA-N -1 3 346.408 2.682 20 30 EFEDHM CCCCCCOc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848138992 1334350450 /nfs/dbraw/zinc/35/04/50/1334350450.db2.gz WEMRKUIDIAHFRC-INIZCTEOSA-N -1 3 334.416 2.756 20 30 EFEDHM CC(C)(C)c1ccc2cc(C(=O)N[C@@H]3CCCN([O-])C3=O)[nH]c2c1 ZINC000848138720 1334351268 /nfs/dbraw/zinc/35/12/68/1334351268.db2.gz SWNVPLODLMEGPC-CYBMUJFWSA-N -1 3 329.400 2.575 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)CCCOC)n2C)c1[O-] ZINC001355745882 1334862243 /nfs/dbraw/zinc/86/22/43/1334862243.db2.gz OBDOHKXOYZGLCP-UHFFFAOYSA-N -1 3 330.432 2.779 20 30 EFEDHM C[C@@H](Cc1ccc(C#N)cc1)C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000848799239 1334906101 /nfs/dbraw/zinc/90/61/01/1334906101.db2.gz NTBTZGIQXPCILG-LBPRGKRZSA-N -1 3 337.379 2.853 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@H]1CCc2ccccc21 ZINC001356007976 1334930650 /nfs/dbraw/zinc/93/06/50/1334930650.db2.gz RRXKKTKZRAPIFM-HNNXBMFYSA-N -1 3 337.383 2.948 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nccnc1C1CC1 ZINC001361538603 1336161372 /nfs/dbraw/zinc/16/13/72/1336161372.db2.gz NZJPPMYJSJWVLH-UHFFFAOYSA-N -1 3 337.383 2.514 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cn(C)nc1C(F)F ZINC001361688981 1336274375 /nfs/dbraw/zinc/27/43/75/1336274375.db2.gz CQRMTMZENORXMW-UHFFFAOYSA-N -1 3 349.341 2.518 20 30 EFEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC001363982339 1337135634 /nfs/dbraw/zinc/13/56/34/1337135634.db2.gz PGEUTBDDEABJLC-UHFFFAOYSA-N -1 3 342.617 2.927 20 30 EFEDHM C=C(Cl)CNC[C@]1(NC(=O)c2ncccc2[O-])CCCC[C@H]1C ZINC001373896704 1341193654 /nfs/dbraw/zinc/19/36/54/1341193654.db2.gz LCGAQCLEDRPPDQ-SJKOYZFVSA-N -1 3 337.851 2.808 20 30 EFEDHM C=C(Cl)CNC[C@]1(NC(=O)c2ncccc2[O-])CCCC[C@@H]1C ZINC001373896713 1341193812 /nfs/dbraw/zinc/19/38/12/1341193812.db2.gz LCGAQCLEDRPPDQ-YVEFUNNKSA-N -1 3 337.851 2.808 20 30 EFEDHM C[C@H](Nc1ccc(Cl)c(C#N)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001458453961 1395472449 /nfs/dbraw/zinc/47/24/49/1395472449.db2.gz FFCGEKYZLOLARB-UWVGGRQHSA-N -1 3 345.790 2.782 20 30 EFEDHM C=CCN(Cc1ccc2c[nH]nc2c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914816 1428784712 /nfs/dbraw/zinc/78/47/12/1428784712.db2.gz NZWDKUDDDWWNKP-UHFFFAOYSA-N -1 3 345.410 2.931 20 30 EFEDHM C=CCN(Cc1ccc2c[nH]nc2c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914816 1428784716 /nfs/dbraw/zinc/78/47/16/1428784716.db2.gz NZWDKUDDDWWNKP-UHFFFAOYSA-N -1 3 345.410 2.931 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CCCN2c2ccccc2)c1[O-] ZINC001551950594 1414291021 /nfs/dbraw/zinc/29/10/21/1414291021.db2.gz STRVBQROQAXEQU-BRLDDBHUSA-N -1 3 325.412 2.676 20 30 EFEDHM Cc1ncc(CO)c(/C=N\C[C@H]2CCCN2c2ccccc2)c1[O-] ZINC001551950600 1414291307 /nfs/dbraw/zinc/29/13/07/1414291307.db2.gz STRVBQROQAXEQU-SYERDGIWSA-N -1 3 325.412 2.676 20 30 EFEDHM C[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CN1C1CC1 ZINC000824859974 1441601360 /nfs/dbraw/zinc/60/13/60/1441601360.db2.gz SHWVNALBBLPZCO-VIFPVBQESA-N -1 3 331.811 2.545 20 30 EFEDHM C[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CN1C1CC1 ZINC000824859974 1441601362 /nfs/dbraw/zinc/60/13/62/1441601362.db2.gz SHWVNALBBLPZCO-VIFPVBQESA-N -1 3 331.811 2.545 20 30 EFEDHM C=CCCCCCN(C)[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735407897 1443760769 /nfs/dbraw/zinc/76/07/69/1443760769.db2.gz AOXCJGMWDFEEEA-CQSZACIVSA-N -1 3 342.447 2.872 20 30 EFEDHM C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820758720 1449819368 /nfs/dbraw/zinc/81/93/68/1449819368.db2.gz BYSQEGQMXJGXBQ-AWEZNQCLSA-N -1 3 347.426 2.787 20 30 EFEDHM C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820758720 1449819372 /nfs/dbraw/zinc/81/93/72/1449819372.db2.gz BYSQEGQMXJGXBQ-AWEZNQCLSA-N -1 3 347.426 2.787 20 30 EFEDHM C[C@H](NC(=O)c1ccccc1[O-])C1CN(Cc2ccc(C#N)cc2)C1 ZINC000969314452 713033013 /nfs/dbraw/zinc/03/30/13/713033013.db2.gz XEBUHFKQMCEBBN-AWEZNQCLSA-N -1 3 335.407 2.514 20 30 EFEDHM C[C@H](NC(=O)c1ccccc1[O-])C1CN(Cc2ccccc2C#N)C1 ZINC000969314394 713033029 /nfs/dbraw/zinc/03/30/29/713033029.db2.gz VIHPWMKYNHCVJZ-AWEZNQCLSA-N -1 3 335.407 2.514 20 30 EFEDHM O=C1CNC(=O)N1Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255070828 713601387 /nfs/dbraw/zinc/60/13/87/713601387.db2.gz HNBQLPXQTSEGBX-UHFFFAOYSA-N -1 3 343.770 2.848 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000070250196 713796079 /nfs/dbraw/zinc/79/60/79/713796079.db2.gz QRZLBKISGANDRR-UHFFFAOYSA-N -1 3 340.626 2.575 20 30 EFEDHM CN(CCc1ccccn1)C(=O)C/N=C\c1cc(Cl)ccc1[O-] ZINC000255153902 713939302 /nfs/dbraw/zinc/93/93/02/713939302.db2.gz LBNMYCLJYIYCFC-ODLFYWEKSA-N -1 3 331.803 2.561 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccn(CC(C)C)n1 ZINC000892495389 717959279 /nfs/dbraw/zinc/95/92/79/717959279.db2.gz AXCXIBHZUMFDQP-ZDUSSCGKSA-N -1 3 340.383 2.509 20 30 EFEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nnc2n1CCCCC2 ZINC000255212960 714280923 /nfs/dbraw/zinc/28/09/23/714280923.db2.gz XWPJRXHTVVMLKB-VGVVRCBHSA-N -1 3 341.802 2.943 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CCC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000975120946 715522674 /nfs/dbraw/zinc/52/26/74/715522674.db2.gz LUZSWDRYCGMTJX-FOIQADDNSA-N -1 3 344.455 2.963 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000975121361 715523184 /nfs/dbraw/zinc/52/31/84/715523184.db2.gz LUZSWDRYCGMTJX-YWZLYKJASA-N -1 3 344.455 2.963 20 30 EFEDHM Cc1cnc2c(NC(=O)N[C@@H]3CCCN([O-])C3=O)cccc2c1Cl ZINC000888983145 715994959 /nfs/dbraw/zinc/99/49/59/715994959.db2.gz QQFGECISEWGFRF-GFCCVEGCSA-N -1 3 348.790 2.698 20 30 EFEDHM N#Cc1ccccc1CN1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001027761204 716872158 /nfs/dbraw/zinc/87/21/58/716872158.db2.gz JCBOUKYFUGMHGP-KRWDZBQOSA-N -1 3 335.407 2.658 20 30 EFEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCSC(F)(F)F ZINC000178514042 717712250 /nfs/dbraw/zinc/71/22/50/717712250.db2.gz IEQGNLVVGVJWKO-UHFFFAOYSA-N -1 3 344.767 2.743 20 30 EFEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1nc2ccccc2s1 ZINC000255844780 717839292 /nfs/dbraw/zinc/83/92/92/717839292.db2.gz JQBRRNFJWQZMBT-ZADCQDASSA-N -1 3 336.376 2.635 20 30 EFEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1nc2ccccc2s1 ZINC000255844780 717839297 /nfs/dbraw/zinc/83/92/97/717839297.db2.gz JQBRRNFJWQZMBT-ZADCQDASSA-N -1 3 336.376 2.635 20 30 EFEDHM N#Cc1c(F)cccc1N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001059553817 724486716 /nfs/dbraw/zinc/48/67/16/724486716.db2.gz BLJMYJLPKOZDJL-TXEJJXNPSA-N -1 3 325.343 2.776 20 30 EFEDHM C=CC(C)(C)CC(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001059705656 724594486 /nfs/dbraw/zinc/59/44/86/724594486.db2.gz YZFZDPBXBLOFGO-OAHLLOKOSA-N -1 3 344.455 2.963 20 30 EFEDHM CCC(=O)N1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000122904789 720028155 /nfs/dbraw/zinc/02/81/55/720028155.db2.gz VOVZOIOXECQYAT-GGNJANJASA-N -1 3 325.206 2.585 20 30 EFEDHM Cc1nc(N2CCC(Oc3ccc(C#N)cc3F)CC2)cc(=O)[n-]1 ZINC000893836440 720111150 /nfs/dbraw/zinc/11/11/50/720111150.db2.gz ONBSCQRSQBBWAX-UHFFFAOYSA-N -1 3 328.347 2.549 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC000983074532 721787761 /nfs/dbraw/zinc/78/77/61/721787761.db2.gz DLSQYZAASBXYMP-AWEZNQCLSA-N -1 3 330.428 2.573 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC000983239786 721932896 /nfs/dbraw/zinc/93/28/96/721932896.db2.gz ZAIBMJWLBAKLAU-AUUYWEPGSA-N -1 3 330.428 2.573 20 30 EFEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)s1 ZINC000140283199 722672978 /nfs/dbraw/zinc/67/29/78/722672978.db2.gz SEJXIRUSQAEPCU-ZDUSSCGKSA-N -1 3 343.408 2.984 20 30 EFEDHM C=CC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059195288 722884756 /nfs/dbraw/zinc/88/47/56/722884756.db2.gz ADLYOGURCDJSJQ-AWEZNQCLSA-N -1 3 330.428 2.573 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196447 722886944 /nfs/dbraw/zinc/88/69/44/722886944.db2.gz WCRZNVUQMTYOIE-YWZLYKJASA-N -1 3 344.455 2.963 20 30 EFEDHM C=C1CC(C)(C(=O)NCC[C@H]2CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001059196590 722887146 /nfs/dbraw/zinc/88/71/46/722887146.db2.gz YIBTUCAOAKKDCH-HNNXBMFYSA-N -1 3 342.439 2.717 20 30 EFEDHM C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196556 722887212 /nfs/dbraw/zinc/88/72/12/722887212.db2.gz XWUNKNZEQOTJRX-HZPDHXFCSA-N -1 3 344.455 2.963 20 30 EFEDHM C=C1CC(C)(C(=O)N(C)[C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000983911875 723219883 /nfs/dbraw/zinc/21/98/83/723219883.db2.gz IVRUMWNAFMWZJI-OAHLLOKOSA-N -1 3 342.439 2.812 20 30 EFEDHM CC(=O)N(c1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1)C1CC1 ZINC000840704500 723442678 /nfs/dbraw/zinc/44/26/78/723442678.db2.gz BBQVMQROLQPHBK-UHFFFAOYSA-N -1 3 339.395 2.854 20 30 EFEDHM O=C1[C@@H](NCc2ccc(Cl)cc2Br)CCCN1[O-] ZINC000895164021 723502255 /nfs/dbraw/zinc/50/22/55/723502255.db2.gz AENONPNKPHIKAD-NSHDSACASA-N -1 3 333.613 2.572 20 30 EFEDHM O=C1[C@H](NCc2ccc(Br)cc2Cl)CCCN1[O-] ZINC000895167249 723515424 /nfs/dbraw/zinc/51/54/24/723515424.db2.gz WCUBIVWXUPJTPV-LLVKDONJSA-N -1 3 333.613 2.572 20 30 EFEDHM C#CCCCCC(=O)N1CC[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001059499096 723958917 /nfs/dbraw/zinc/95/89/17/723958917.db2.gz GRWXNGGZLSWOFN-INIZCTEOSA-N -1 3 342.439 2.554 20 30 EFEDHM COC(=O)[C@H](CC1CC1)/N=C\c1cc(Br)ccc1[O-] ZINC000840711238 723984560 /nfs/dbraw/zinc/98/45/60/723984560.db2.gz PTQYDJPHHNITED-LUMBYOQCSA-N -1 3 326.190 2.915 20 30 EFEDHM COC(=O)CSCc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000728437302 724023301 /nfs/dbraw/zinc/02/33/01/724023301.db2.gz AACVXAKNBGQERC-UHFFFAOYSA-N -1 3 347.392 2.960 20 30 EFEDHM N#CCN(C(=O)COC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000914890829 726806340 /nfs/dbraw/zinc/80/63/40/726806340.db2.gz HCMLMGNDEHPLHG-UHFFFAOYSA-N -1 3 339.376 2.943 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2ccc3ccccc3c2)c1[O-] ZINC000731488304 726879804 /nfs/dbraw/zinc/87/98/04/726879804.db2.gz CXOVDLHANZFYID-VZBSEDMKSA-N -1 3 336.391 2.894 20 30 EFEDHM CCOc1cc(C=NOC[C@@H]2CCOC2)cc(Br)c1[O-] ZINC000788038340 726975012 /nfs/dbraw/zinc/97/50/12/726975012.db2.gz GZLQBZZWZLEXTF-SNVBAGLBSA-N -1 3 344.205 2.940 20 30 EFEDHM O=C1CCCN1c1ccc(N=Cc2ccc(O)c([O-])c2O)cc1F ZINC000732621073 727171478 /nfs/dbraw/zinc/17/14/78/727171478.db2.gz DBVFHFBVLPHXRG-UHFFFAOYSA-N -1 3 330.315 2.820 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1sc2cccc(F)c2c1Cl ZINC000908404001 727179459 /nfs/dbraw/zinc/17/94/59/727179459.db2.gz YEYOEJIXQKEJBY-MRVPVSSYSA-N -1 3 342.779 2.804 20 30 EFEDHM COC(=O)CCCOc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000732714027 727194871 /nfs/dbraw/zinc/19/48/71/727194871.db2.gz PSZXECFUJCUVCR-UHFFFAOYSA-N -1 3 345.351 2.886 20 30 EFEDHM C=CCC[C@@H](NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908754392 727257153 /nfs/dbraw/zinc/25/71/53/727257153.db2.gz UBYZUWCYVZYBAZ-SJORKVTESA-N -1 3 347.459 2.570 20 30 EFEDHM C=CCC[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000909718923 727368248 /nfs/dbraw/zinc/36/82/48/727368248.db2.gz USXSJQGLKLIOEQ-WBVHZDCISA-N -1 3 348.418 2.573 20 30 EFEDHM C=C(C)C[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C(=O)[O-] ZINC000910286406 727427742 /nfs/dbraw/zinc/42/77/42/727427742.db2.gz IIHKPTKGLVVTFW-RDJZCZTQSA-N -1 3 348.418 2.573 20 30 EFEDHM Cc1cc(N=Cc2ccc(O)c([O-])c2O)ccc1N1C(=O)CCC1=O ZINC000732926307 727483942 /nfs/dbraw/zinc/48/39/42/727483942.db2.gz LZHGXLSFTDJKOD-UHFFFAOYSA-N -1 3 340.335 2.516 20 30 EFEDHM Cc1ccc(C)c(NC(=S)NN=Cc2c([O-])c(C)ncc2CO)c1 ZINC000915913162 727639441 /nfs/dbraw/zinc/63/94/41/727639441.db2.gz ZQRVLCBEQBHYIK-UHFFFAOYSA-N -1 3 344.440 2.525 20 30 EFEDHM CCCCC[C@@H](C)CNC(=S)NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000915945656 727641820 /nfs/dbraw/zinc/64/18/20/727641820.db2.gz XNBIYVYUMMXXME-LLVKDONJSA-N -1 3 348.472 2.729 20 30 EFEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccc(Br)cc1 ZINC000915959802 727642727 /nfs/dbraw/zinc/64/27/27/727642727.db2.gz XGVQSYYTXHHFJJ-UHFFFAOYSA-N -1 3 332.157 2.923 20 30 EFEDHM Cc1ccc(NC(=S)NN=C2C(=O)Nc3cc([O-])ccc32)cc1C ZINC000915937325 727642985 /nfs/dbraw/zinc/64/29/85/727642985.db2.gz OBBNZZVHKRATDT-UHFFFAOYSA-N -1 3 340.408 2.652 20 30 EFEDHM CCCC(=O)Nc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000915982285 727645308 /nfs/dbraw/zinc/64/53/08/727645308.db2.gz VVJBQXOXZPRWNM-RGVLZGJSSA-N -1 3 341.411 2.946 20 30 EFEDHM Cc1ccc(C)c(S(=O)(=O)NN=Cc2cc(Cl)ccc2[O-])c1 ZINC000916288489 727674090 /nfs/dbraw/zinc/67/40/90/727674090.db2.gz GVRJKQHWVCJOQK-UHFFFAOYSA-N -1 3 338.816 2.975 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCC1 ZINC000916424448 727683644 /nfs/dbraw/zinc/68/36/44/727683644.db2.gz IJPKXBPWMAOYGV-UHFFFAOYSA-N -1 3 333.438 2.782 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)cc2)ccc1F ZINC000029051573 727733366 /nfs/dbraw/zinc/73/33/66/727733366.db2.gz YCBQAMVENFKDRD-UHFFFAOYSA-N -1 3 348.399 2.851 20 30 EFEDHM C#CCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000170718449 728470000 /nfs/dbraw/zinc/47/00/00/728470000.db2.gz JSGVMDURRXOMLM-UHFFFAOYSA-N -1 3 347.367 2.807 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)C)[nH]n1 ZINC000129961275 728484984 /nfs/dbraw/zinc/48/49/84/728484984.db2.gz KDMYADQAIMOPHX-NSHDSACASA-N -1 3 326.356 2.503 20 30 EFEDHM NC(=O)c1cccc(CC/N=C/c2cc(Br)ccc2[O-])c1 ZINC000171408354 728533614 /nfs/dbraw/zinc/53/36/14/728533614.db2.gz UDSWLKXUQVZQED-VXLYETTFSA-N -1 3 347.212 2.915 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(N2CCCCC2)o1 ZINC000920383601 729178228 /nfs/dbraw/zinc/17/82/28/729178228.db2.gz LYLLLGAIUNPBKD-UHFFFAOYSA-N -1 3 347.440 2.723 20 30 EFEDHM C=C(C)CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000921463601 729453532 /nfs/dbraw/zinc/45/35/32/729453532.db2.gz PUKSVPQVNSEFBC-AWEZNQCLSA-N -1 3 343.420 2.704 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000233294901 729483607 /nfs/dbraw/zinc/48/36/07/729483607.db2.gz BMXWNGUWCZSOEV-VIFPVBQESA-N -1 3 336.276 2.899 20 30 EFEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC000938999497 729771597 /nfs/dbraw/zinc/77/15/97/729771597.db2.gz QYFCOZXAMIGQRL-AWEZNQCLSA-N -1 3 330.428 2.667 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203163 944982447 /nfs/dbraw/zinc/98/24/47/944982447.db2.gz RZWFSXOUSRBLMN-CMDGGOBGSA-N -1 3 344.378 2.691 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(C#N)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203163 944982453 /nfs/dbraw/zinc/98/24/53/944982453.db2.gz RZWFSXOUSRBLMN-CMDGGOBGSA-N -1 3 344.378 2.691 20 30 EFEDHM C=C[C@@H](CC)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000823882686 946498262 /nfs/dbraw/zinc/49/82/62/946498262.db2.gz BOLFIBDGAUQNLI-SWLSCSKDSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C[C@@H](CC)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000823882686 946498270 /nfs/dbraw/zinc/49/82/70/946498270.db2.gz BOLFIBDGAUQNLI-SWLSCSKDSA-N -1 3 330.388 2.778 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823894931 946507266 /nfs/dbraw/zinc/50/72/66/946507266.db2.gz ZTEUUVIINWJLIO-CHWSQXEVSA-N -1 3 328.420 2.972 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823894931 946507276 /nfs/dbraw/zinc/50/72/76/946507276.db2.gz ZTEUUVIINWJLIO-CHWSQXEVSA-N -1 3 328.420 2.972 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCCCS1 ZINC000823910197 946516478 /nfs/dbraw/zinc/51/64/78/946516478.db2.gz YSZIWDCKHVLVKX-HNNXBMFYSA-N -1 3 343.456 2.667 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCCS1 ZINC000823910197 946516491 /nfs/dbraw/zinc/51/64/91/946516491.db2.gz YSZIWDCKHVLVKX-HNNXBMFYSA-N -1 3 343.456 2.667 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)(C)C ZINC001573279631 946646074 /nfs/dbraw/zinc/64/60/74/946646074.db2.gz JWGQXZMXPSDJGE-GFCCVEGCSA-N -1 3 332.795 2.690 20 30 EFEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)(C)C ZINC001573279631 946646080 /nfs/dbraw/zinc/64/60/80/946646080.db2.gz JWGQXZMXPSDJGE-GFCCVEGCSA-N -1 3 332.795 2.690 20 30 EFEDHM C#CCCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573283171 946710386 /nfs/dbraw/zinc/71/03/86/946710386.db2.gz FZFZOHJYBPRQOM-UHFFFAOYSA-N -1 3 348.366 2.796 20 30 EFEDHM C#CCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573283171 946710393 /nfs/dbraw/zinc/71/03/93/946710393.db2.gz FZFZOHJYBPRQOM-UHFFFAOYSA-N -1 3 348.366 2.796 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001573283945 946730549 /nfs/dbraw/zinc/73/05/49/946730549.db2.gz YAHMFWDOJKTIPP-UHFFFAOYSA-N -1 3 345.406 2.759 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001573283945 946730559 /nfs/dbraw/zinc/73/05/59/946730559.db2.gz YAHMFWDOJKTIPP-UHFFFAOYSA-N -1 3 345.406 2.759 20 30 EFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001573554444 946899326 /nfs/dbraw/zinc/89/93/26/946899326.db2.gz UDCNSINWTGKJBN-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM CC(=O)c1cc(C#N)ccc1NC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001573554444 946899333 /nfs/dbraw/zinc/89/93/33/946899333.db2.gz UDCNSINWTGKJBN-UHFFFAOYSA-N -1 3 346.350 2.502 20 30 EFEDHM C=C(C)c1cccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573295957 947033785 /nfs/dbraw/zinc/03/37/85/947033785.db2.gz WSFRKDOSUVJDRM-UHFFFAOYSA-N -1 3 335.367 2.917 20 30 EFEDHM C=C[C@H](C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC)c1ccccc1 ZINC001573300795 947122730 /nfs/dbraw/zinc/12/27/30/947122730.db2.gz OBDYZSVCDOXBRC-AWEZNQCLSA-N -1 3 334.383 2.817 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1sccc1-c1nnn[n-]1 ZINC001573325790 947361585 /nfs/dbraw/zinc/36/15/85/947361585.db2.gz GYOQVPLNZHLTBV-CYBMUJFWSA-N -1 3 339.424 2.845 20 30 EFEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1sccc1-c1nn[n-]n1 ZINC001573325790 947361601 /nfs/dbraw/zinc/36/16/01/947361601.db2.gz GYOQVPLNZHLTBV-CYBMUJFWSA-N -1 3 339.424 2.845 20 30 EFEDHM C=CCCC(C)(C)CNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001573327401 947386776 /nfs/dbraw/zinc/38/67/76/947386776.db2.gz DFQYVVRVIUMTIT-CYBMUJFWSA-N -1 3 343.431 2.743 20 30 EFEDHM C=CCCCC(=O)Nc1cccc(-c2nnn[n-]2)c1Br ZINC001573335524 947479796 /nfs/dbraw/zinc/47/97/96/947479796.db2.gz QKPXXFNLEDREEJ-UHFFFAOYSA-N -1 3 336.193 2.924 20 30 EFEDHM C=CCCCC(=O)Nc1cccc(-c2nn[n-]n2)c1Br ZINC001573335524 947479801 /nfs/dbraw/zinc/47/98/01/947479801.db2.gz QKPXXFNLEDREEJ-UHFFFAOYSA-N -1 3 336.193 2.924 20 30 EFEDHM C=CCCCCCCNC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001573335986 947496164 /nfs/dbraw/zinc/49/61/64/947496164.db2.gz YISQZVMYKOGXNC-UHFFFAOYSA-N -1 3 342.447 2.845 20 30 EFEDHM C=CCCCCCCNC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001573335986 947496169 /nfs/dbraw/zinc/49/61/69/947496169.db2.gz YISQZVMYKOGXNC-UHFFFAOYSA-N -1 3 342.447 2.845 20 30 EFEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC001573351863 947621759 /nfs/dbraw/zinc/62/17/59/947621759.db2.gz WKBXZHOLOPKGLY-UHFFFAOYSA-N -1 3 345.366 2.655 20 30 EFEDHM C=CCn1ncc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC001573351863 947621767 /nfs/dbraw/zinc/62/17/67/947621767.db2.gz WKBXZHOLOPKGLY-UHFFFAOYSA-N -1 3 345.366 2.655 20 30 EFEDHM N#Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000826384225 948186427 /nfs/dbraw/zinc/18/64/27/948186427.db2.gz MDTRPEXXCRUORA-ARJAWSKDSA-N -1 3 325.328 2.835 20 30 EFEDHM N#Cc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000826384225 948186431 /nfs/dbraw/zinc/18/64/31/948186431.db2.gz MDTRPEXXCRUORA-ARJAWSKDSA-N -1 3 325.328 2.835 20 30 EFEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)[C@@H](C)C(C)(C)C ZINC001573756710 948823880 /nfs/dbraw/zinc/82/38/80/948823880.db2.gz UNRGCMMYLIIYFN-GHMZBOCLSA-N -1 3 326.404 2.995 20 30 EFEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)[C@@H](C)C(C)(C)C ZINC001573756710 948823903 /nfs/dbraw/zinc/82/39/03/948823903.db2.gz UNRGCMMYLIIYFN-GHMZBOCLSA-N -1 3 326.404 2.995 20 30 EFEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)[C@H](C)C(C)(C)C ZINC001573756949 948823996 /nfs/dbraw/zinc/82/39/96/948823996.db2.gz WDTKNGAOUCNQNI-QWRGUYRKSA-N -1 3 326.404 2.995 20 30 EFEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)[C@H](C)C(C)(C)C ZINC001573756949 948824014 /nfs/dbraw/zinc/82/40/14/948824014.db2.gz WDTKNGAOUCNQNI-QWRGUYRKSA-N -1 3 326.404 2.995 20 30 EFEDHM C[C@H]([C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)C(C)(C)C ZINC001573756951 948825157 /nfs/dbraw/zinc/82/51/57/948825157.db2.gz WDTKNGAOUCNQNI-WDEREUQCSA-N -1 3 326.404 2.995 20 30 EFEDHM C[C@H]([C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)C(C)(C)C ZINC001573756951 948825171 /nfs/dbraw/zinc/82/51/71/948825171.db2.gz WDTKNGAOUCNQNI-WDEREUQCSA-N -1 3 326.404 2.995 20 30 EFEDHM CC[C@@]1(C(=O)[O-])CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC001589606554 949288728 /nfs/dbraw/zinc/28/87/28/949288728.db2.gz VCOJYUIVRILUKB-GOSISDBHSA-N -1 3 340.383 2.685 20 30 EFEDHM C[C@H](CC#N)C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC001574471820 949537380 /nfs/dbraw/zinc/53/73/80/949537380.db2.gz NHKJRLOSEMWZOS-GFCCVEGCSA-N -1 3 336.355 2.543 20 30 EFEDHM C[C@H](CC#N)C(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC001574471820 949537410 /nfs/dbraw/zinc/53/74/10/949537410.db2.gz NHKJRLOSEMWZOS-GFCCVEGCSA-N -1 3 336.355 2.543 20 30 EFEDHM C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C(=O)[O-] ZINC001589396284 954378776 /nfs/dbraw/zinc/37/87/76/954378776.db2.gz XNKWLFIFXYYFEU-WFASDCNBSA-N -1 3 341.329 2.979 20 30 EFEDHM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)cc1F ZINC001571211346 962457992 /nfs/dbraw/zinc/45/79/92/962457992.db2.gz GIHBOSNVDVHEJF-XKQJLSEDSA-N -1 3 332.375 2.542 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCN(CCC2(C(=O)[O-])CCC2)CC1 ZINC001605576624 973849749 /nfs/dbraw/zinc/84/97/49/973849749.db2.gz OVYXDQSOOAPIGC-QGZVFWFLSA-N -1 3 327.428 2.514 20 30 EFEDHM N#Cc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(OC(F)F)c1 ZINC001605602011 973908900 /nfs/dbraw/zinc/90/89/00/973908900.db2.gz KKNZSTKSNYMENX-UONOGXRCSA-N -1 3 336.338 2.702 20 30 EFEDHM C#CC1(O)CCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC001588379852 983365840 /nfs/dbraw/zinc/36/58/40/983365840.db2.gz UKOZXGDCLQEYGH-UHFFFAOYSA-N -1 3 325.364 2.605 20 30 EFEDHM C#CC[C@H](NCc1cc2c(C)nn(C(C)(C)C)c2nc1Cl)C(=O)[O-] ZINC001588423082 983450195 /nfs/dbraw/zinc/45/01/95/983450195.db2.gz WALMFTSLHBACKD-ZDUSSCGKSA-N -1 3 348.834 2.714 20 30 EFEDHM C=CC[C@H](OC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC001588752299 984080583 /nfs/dbraw/zinc/08/05/83/984080583.db2.gz VKFFUGFZWMYSON-INIZCTEOSA-N -1 3 331.412 2.861 20 30 EFEDHM C=CCN1CCC(NC(=O)Nc2ccc(C(=O)[O-])cc2OCC)CC1 ZINC001588838493 984338223 /nfs/dbraw/zinc/33/82/23/984338223.db2.gz GCXNOKAKZRVREE-UHFFFAOYSA-N -1 3 347.415 2.555 20 30 EFEDHM C=CCOC[C@H](NCc1ccc(Oc2ccc(F)cc2)nc1)C(=O)[O-] ZINC001588865684 984419060 /nfs/dbraw/zinc/41/90/60/984419060.db2.gz AVLLILQACMOLJF-INIZCTEOSA-N -1 3 346.358 2.758 20 30 EFEDHM C=CCc1cc(CN[C@H](CC(F)(F)F)C(=O)[O-])cc(OC)c1O ZINC001588885496 984468028 /nfs/dbraw/zinc/46/80/28/984468028.db2.gz NIGRBMNIYKEOBD-LLVKDONJSA-N -1 3 333.306 2.625 20 30 EFEDHM CC(=O)[C@@](C#N)(CCN1CC[C@@H](C(=O)[O-])C[C@H]1C)c1ccccc1 ZINC001589021791 985014317 /nfs/dbraw/zinc/01/43/17/985014317.db2.gz VWAPUJRARLNZCM-OGWOLHLISA-N -1 3 328.412 2.612 20 30 EFEDHM CC(C)(C)OC(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC001589860048 988423994 /nfs/dbraw/zinc/42/39/94/988423994.db2.gz FWSRPDLTLOJNQQ-MRXNPFEDSA-N -1 3 344.411 2.738 20 30 EFEDHM CC(C)(C)OC(=O)[C@H]1CCCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001590358121 989802006 /nfs/dbraw/zinc/80/20/06/989802006.db2.gz TYNKMPCPJOTYQP-JKSUJKDBSA-N -1 3 344.411 2.738 20 30 EFEDHM C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593232037 994380101 /nfs/dbraw/zinc/38/01/01/994380101.db2.gz SOMSTSVREKJMTK-AWEZNQCLSA-N -1 3 327.355 2.991 20 30 EFEDHM CC1/C(=C/c2ccc(C(=O)[O-])cc2C(F)(F)F)C(=O)c2ncnn21 ZINC001594120555 998272362 /nfs/dbraw/zinc/27/23/62/998272362.db2.gz OQGHHXRMYWGRGF-SOBCLFBASA-N -1 3 337.257 2.836 20 30 EFEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1c(C#N)cccc1C#N ZINC001647160505 1089014928 /nfs/dbraw/zinc/01/49/28/1089014928.db2.gz RFGGSGPERQXNTN-UHFFFAOYSA-N -1 3 344.371 2.553 20 30 EFEDHM C[C@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@@H]3C#N)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001576383134 1089168080 /nfs/dbraw/zinc/16/80/80/1089168080.db2.gz HHIAQOIKSRVDCP-ZYUZMQFOSA-N -1 3 342.428 2.712 20 30 EFEDHM C[C@H]1Cc2c(sc(NC(=O)[C@@H]3C[C@@H]3C#N)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001576383134 1089168097 /nfs/dbraw/zinc/16/80/97/1089168097.db2.gz HHIAQOIKSRVDCP-ZYUZMQFOSA-N -1 3 342.428 2.712 20 30 EFEDHM C[C@@H]1C[C@H](C)Cc2c1sc(NC(=O)[C@@H]1C[C@@H]1C#N)c2-c1nnn[n-]1 ZINC001576383128 1089168267 /nfs/dbraw/zinc/16/82/67/1089168267.db2.gz HHIAQOIKSRVDCP-SGIHWFKDSA-N -1 3 342.428 2.712 20 30 EFEDHM C[C@@H]1C[C@H](C)Cc2c1sc(NC(=O)[C@@H]1C[C@@H]1C#N)c2-c1nn[n-]n1 ZINC001576383128 1089168272 /nfs/dbraw/zinc/16/82/72/1089168272.db2.gz HHIAQOIKSRVDCP-SGIHWFKDSA-N -1 3 342.428 2.712 20 30 EFEDHM CCN(CCNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1C ZINC001578107666 1090263141 /nfs/dbraw/zinc/26/31/41/1090263141.db2.gz SPGUEPHXASPEDJ-UHFFFAOYSA-N -1 3 347.426 2.985 20 30 EFEDHM CCN(CCNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1C ZINC001578107666 1090263146 /nfs/dbraw/zinc/26/31/46/1090263146.db2.gz SPGUEPHXASPEDJ-UHFFFAOYSA-N -1 3 347.426 2.985 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1sccc1CC#N ZINC001578495635 1090387500 /nfs/dbraw/zinc/38/75/00/1090387500.db2.gz PFVXBOCKBCSVQV-UHFFFAOYSA-N -1 3 339.380 2.776 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1sccc1CC#N ZINC001578495635 1090387506 /nfs/dbraw/zinc/38/75/06/1090387506.db2.gz PFVXBOCKBCSVQV-UHFFFAOYSA-N -1 3 339.380 2.776 20 30 EFEDHM COc1cc(C#N)ccc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001579888852 1090715159 /nfs/dbraw/zinc/71/51/59/1090715159.db2.gz SBQLEWWOJSWGBQ-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1cc(C#N)ccc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001579888852 1090715164 /nfs/dbraw/zinc/71/51/64/1090715164.db2.gz SBQLEWWOJSWGBQ-NSHDSACASA-N -1 3 349.350 2.665 20 30 EFEDHM COc1ccc(NC(=O)c2c(C)cc(C#N)cc2C)cc1-c1nnn[n-]1 ZINC001580042154 1090752512 /nfs/dbraw/zinc/75/25/12/1090752512.db2.gz RRQFCQOEYSFFLO-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1ccc(NC(=O)c2c(C)cc(C#N)cc2C)cc1-c1nn[n-]n1 ZINC001580042154 1090752516 /nfs/dbraw/zinc/75/25/16/1090752516.db2.gz RRQFCQOEYSFFLO-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM C[C@@H](OC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001580310687 1090857799 /nfs/dbraw/zinc/85/77/99/1090857799.db2.gz GQYOUPWSKCZVBL-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001580310687 1090857807 /nfs/dbraw/zinc/85/78/07/1090857807.db2.gz GQYOUPWSKCZVBL-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1cc(C#N)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001580310964 1090858319 /nfs/dbraw/zinc/85/83/19/1090858319.db2.gz YVSVMKGYAMFVQG-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM C[C@@H](OC(=O)c1cc(C#N)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001580310964 1090858325 /nfs/dbraw/zinc/85/83/25/1090858325.db2.gz YVSVMKGYAMFVQG-SNVBAGLBSA-N -1 3 337.314 2.795 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001580526105 1090933966 /nfs/dbraw/zinc/93/39/66/1090933966.db2.gz IKOSLBXEVZUJKI-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001580526105 1090933971 /nfs/dbraw/zinc/93/39/71/1090933971.db2.gz IKOSLBXEVZUJKI-ZDUSSCGKSA-N -1 3 346.394 2.880 20 30 EFEDHM Cc1c(NC(=O)c2ccc3c(C#N)c[nH]c3c2)cccc1-c1nnn[n-]1 ZINC001580559583 1090949079 /nfs/dbraw/zinc/94/90/79/1090949079.db2.gz DNPCOIWNXFIESG-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1c(NC(=O)c2ccc3c(C#N)c[nH]c3c2)cccc1-c1nn[n-]n1 ZINC001580559583 1090949080 /nfs/dbraw/zinc/94/90/80/1090949080.db2.gz DNPCOIWNXFIESG-UHFFFAOYSA-N -1 3 343.350 2.780 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1CN1CCCc2c(C#N)cccc21 ZINC001580623899 1090971651 /nfs/dbraw/zinc/97/16/51/1090971651.db2.gz HLROQETUKCYCMO-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1CN1CCCc2c(C#N)cccc21 ZINC001580623899 1090971655 /nfs/dbraw/zinc/97/16/55/1090971655.db2.gz HLROQETUKCYCMO-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1cc(C#N)ccc1CN1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001580768570 1091001795 /nfs/dbraw/zinc/00/17/95/1091001795.db2.gz BZZHTNCESQMLRJ-UHFFFAOYSA-N -1 3 330.395 3.000 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001580768958 1091003056 /nfs/dbraw/zinc/00/30/56/1091003056.db2.gz UBLYXVOQKKAAMQ-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(C#N)cc(C)c1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001580768958 1091003060 /nfs/dbraw/zinc/00/30/60/1091003060.db2.gz UBLYXVOQKKAAMQ-CYBMUJFWSA-N -1 3 346.394 2.846 20 30 EFEDHM Cc1cc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001580978943 1091054212 /nfs/dbraw/zinc/05/42/12/1091054212.db2.gz HGIOXMNDJLPCDZ-ZDUSSCGKSA-N -1 3 338.396 2.558 20 30 EFEDHM Cc1cc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001580978943 1091054219 /nfs/dbraw/zinc/05/42/19/1091054219.db2.gz HGIOXMNDJLPCDZ-ZDUSSCGKSA-N -1 3 338.396 2.558 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001581728719 1091273229 /nfs/dbraw/zinc/27/32/29/1091273229.db2.gz COYLCRMHHUYTDI-UHFFFAOYSA-N -1 3 342.746 2.570 20 30 EFEDHM Cc1oc(C#N)cc1C(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001581728719 1091273236 /nfs/dbraw/zinc/27/32/36/1091273236.db2.gz COYLCRMHHUYTDI-UHFFFAOYSA-N -1 3 342.746 2.570 20 30 EFEDHM Fc1cc(-c2nnn[n-]2)c(NCC(F)(F)F)cc1C(F)(F)F ZINC001581852380 1091314938 /nfs/dbraw/zinc/31/49/38/1091314938.db2.gz YFBFIRSYPFHCTB-UHFFFAOYSA-N -1 3 329.179 2.999 20 30 EFEDHM Fc1cc(-c2nn[n-]n2)c(NCC(F)(F)F)cc1C(F)(F)F ZINC001581852380 1091314947 /nfs/dbraw/zinc/31/49/47/1091314947.db2.gz YFBFIRSYPFHCTB-UHFFFAOYSA-N -1 3 329.179 2.999 20 30 EFEDHM N#CCc1cccc(C(=O)N2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001581859810 1091321470 /nfs/dbraw/zinc/32/14/70/1091321470.db2.gz WQWNYTPYFRSKHM-UHFFFAOYSA-N -1 3 344.378 2.526 20 30 EFEDHM N#CCc1cccc(C(=O)N2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001581859810 1091321479 /nfs/dbraw/zinc/32/14/79/1091321479.db2.gz WQWNYTPYFRSKHM-UHFFFAOYSA-N -1 3 344.378 2.526 20 30 EFEDHM N#Cc1ccc(CN2CCc3c2cccc3-c2nnn[n-]2)c(Cl)c1 ZINC001581870163 1091325249 /nfs/dbraw/zinc/32/52/49/1091325249.db2.gz VKDHQHDMSRHLQZ-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1ccc(CN2CCc3c2cccc3-c2nn[n-]n2)c(Cl)c1 ZINC001581870163 1091325261 /nfs/dbraw/zinc/32/52/61/1091325261.db2.gz VKDHQHDMSRHLQZ-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cc([N+](=O)[O-])ccc1Sc1cccc(F)c1-c1nnn[n-]1 ZINC001581870839 1091327730 /nfs/dbraw/zinc/32/77/30/1091327730.db2.gz VGZHTWHAKBUETI-UHFFFAOYSA-N -1 3 342.315 2.937 20 30 EFEDHM N#Cc1cccc2c1CCN2Cc1ccc(-c2nnn[n-]2)cc1Cl ZINC001581875933 1091328574 /nfs/dbraw/zinc/32/85/74/1091328574.db2.gz XVLRFQAXYCEUBO-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cccc2c1CCN2Cc1ccc(-c2nn[n-]n2)cc1Cl ZINC001581875933 1091328587 /nfs/dbraw/zinc/32/85/87/1091328587.db2.gz XVLRFQAXYCEUBO-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1nc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)sc1Cl ZINC001581880840 1091330960 /nfs/dbraw/zinc/33/09/60/1091330960.db2.gz WYIDAQPIBWBCCA-JTQLQIEISA-N -1 3 343.803 2.948 20 30 EFEDHM N#Cc1nc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)sc1Cl ZINC001581880840 1091330972 /nfs/dbraw/zinc/33/09/72/1091330972.db2.gz WYIDAQPIBWBCCA-JTQLQIEISA-N -1 3 343.803 2.948 20 30 EFEDHM O=C(C#Cc1ccccc1)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001581912492 1091333934 /nfs/dbraw/zinc/33/39/34/1091333934.db2.gz OCKGFLLGRUBNFA-UHFFFAOYSA-N -1 3 329.363 2.734 20 30 EFEDHM O=C(C#Cc1ccccc1)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001581912492 1091333950 /nfs/dbraw/zinc/33/39/50/1091333950.db2.gz OCKGFLLGRUBNFA-UHFFFAOYSA-N -1 3 329.363 2.734 20 30 EFEDHM C#CC(C)(C)NC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001588324997 1092922757 /nfs/dbraw/zinc/92/27/57/1092922757.db2.gz CLXBNTCDNOWPIM-UHFFFAOYSA-N -1 3 332.433 2.759 20 30 EFEDHM C#CC(C)(C)NC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001588324997 1092922759 /nfs/dbraw/zinc/92/27/59/1092922759.db2.gz CLXBNTCDNOWPIM-UHFFFAOYSA-N -1 3 332.433 2.759 20 30 EFEDHM C#C[C@H](Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588328760 1092925321 /nfs/dbraw/zinc/92/53/21/1092925321.db2.gz PSXRKJHZMZVDAN-ZDUSSCGKSA-N -1 3 338.302 2.700 20 30 EFEDHM C#C[C@H](Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001588328760 1092925330 /nfs/dbraw/zinc/92/53/30/1092925330.db2.gz PSXRKJHZMZVDAN-ZDUSSCGKSA-N -1 3 338.302 2.700 20 30 EFEDHM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC001588326800 1092925935 /nfs/dbraw/zinc/92/59/35/1092925935.db2.gz VKAXMVBBCHNCPU-GFCCVEGCSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC001588326800 1092925942 /nfs/dbraw/zinc/92/59/42/1092925942.db2.gz VKAXMVBBCHNCPU-GFCCVEGCSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1F ZINC001588329112 1092926543 /nfs/dbraw/zinc/92/65/43/1092926543.db2.gz YEHGTTLXDDNPJK-CYBMUJFWSA-N -1 3 346.728 2.980 20 30 EFEDHM C#C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1F ZINC001588329112 1092926547 /nfs/dbraw/zinc/92/65/47/1092926547.db2.gz YEHGTTLXDDNPJK-CYBMUJFWSA-N -1 3 346.728 2.980 20 30 EFEDHM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)cc1 ZINC001588329906 1092927025 /nfs/dbraw/zinc/92/70/25/1092927025.db2.gz QLOAQCBJZLXIAU-LBPRGKRZSA-N -1 3 343.799 2.686 20 30 EFEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)cc1 ZINC001588329906 1092927031 /nfs/dbraw/zinc/92/70/31/1092927031.db2.gz QLOAQCBJZLXIAU-LBPRGKRZSA-N -1 3 343.799 2.686 20 30 EFEDHM C#C[C@@H](CC)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588326117 1092927226 /nfs/dbraw/zinc/92/72/26/1092927226.db2.gz FBWQJBVMRMTYKX-NSHDSACASA-N -1 3 325.397 2.531 20 30 EFEDHM C#C[C@@H](CC)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588326117 1092927237 /nfs/dbraw/zinc/92/72/37/1092927237.db2.gz FBWQJBVMRMTYKX-NSHDSACASA-N -1 3 325.397 2.531 20 30 EFEDHM C#CC[C@@H](C)OC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588330647 1092927338 /nfs/dbraw/zinc/92/73/38/1092927338.db2.gz BZCUIWGLUHBKJG-SECBINFHSA-N -1 3 326.381 2.958 20 30 EFEDHM C#CC[C@@H](C)OC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588330647 1092927345 /nfs/dbraw/zinc/92/73/45/1092927345.db2.gz BZCUIWGLUHBKJG-SECBINFHSA-N -1 3 326.381 2.958 20 30 EFEDHM C#CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC001588334797 1092927586 /nfs/dbraw/zinc/92/75/86/1092927586.db2.gz LVPAOCCXDZZANH-UHFFFAOYSA-N -1 3 330.779 2.588 20 30 EFEDHM C#CCC1(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC001588334797 1092927598 /nfs/dbraw/zinc/92/75/98/1092927598.db2.gz LVPAOCCXDZZANH-UHFFFAOYSA-N -1 3 330.779 2.588 20 30 EFEDHM C#CC[C@H](Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)c1ccccc1 ZINC001588333744 1092927904 /nfs/dbraw/zinc/92/79/04/1092927904.db2.gz CWVXLQMEVQXVBU-HNNXBMFYSA-N -1 3 334.339 2.951 20 30 EFEDHM C#CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)c(OC)c2)CCCCC1 ZINC001588335137 1092928171 /nfs/dbraw/zinc/92/81/71/1092928171.db2.gz ZIADHLGEXFDCNW-UHFFFAOYSA-N -1 3 340.383 2.755 20 30 EFEDHM C#CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)c(OC)c2)CCCCC1 ZINC001588335137 1092928181 /nfs/dbraw/zinc/92/81/81/1092928181.db2.gz ZIADHLGEXFDCNW-UHFFFAOYSA-N -1 3 340.383 2.755 20 30 EFEDHM C#CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCCC1 ZINC001588334647 1092928683 /nfs/dbraw/zinc/92/86/83/1092928683.db2.gz DZUCCBKYADMMGC-UHFFFAOYSA-N -1 3 334.383 2.651 20 30 EFEDHM C#CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCCC1 ZINC001588334647 1092928688 /nfs/dbraw/zinc/92/86/88/1092928688.db2.gz DZUCCBKYADMMGC-UHFFFAOYSA-N -1 3 334.383 2.651 20 30 EFEDHM C#CCC1(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588334865 1092928929 /nfs/dbraw/zinc/92/89/29/1092928929.db2.gz NYVPDFRPSXGZTO-DLBZAZTESA-N -1 3 349.438 2.813 20 30 EFEDHM C#CCC1(NC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588334865 1092928942 /nfs/dbraw/zinc/92/89/42/1092928942.db2.gz NYVPDFRPSXGZTO-DLBZAZTESA-N -1 3 349.438 2.813 20 30 EFEDHM C#CC[C@@H]1CCCN(C(=O)Nc2scc(C)c2-c2nnn[n-]2)C1 ZINC001588335405 1092929643 /nfs/dbraw/zinc/92/96/43/1092929643.db2.gz LUFAVGMXXCCRAG-LLVKDONJSA-N -1 3 330.417 2.504 20 30 EFEDHM C#CC[C@@H]1CCCN(C(=O)Nc2scc(C)c2-c2nn[n-]n2)C1 ZINC001588335405 1092929655 /nfs/dbraw/zinc/92/96/55/1092929655.db2.gz LUFAVGMXXCCRAG-LLVKDONJSA-N -1 3 330.417 2.504 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001588352107 1092930973 /nfs/dbraw/zinc/93/09/73/1092930973.db2.gz SZDBVIUWRRACNC-UHFFFAOYSA-N -1 3 346.394 2.842 20 30 EFEDHM C#CCN(Cc1ccccc1)C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588352107 1092930982 /nfs/dbraw/zinc/93/09/82/1092930982.db2.gz SZDBVIUWRRACNC-UHFFFAOYSA-N -1 3 346.394 2.842 20 30 EFEDHM C#CCN(C(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C)C(C)C ZINC001588348890 1092931451 /nfs/dbraw/zinc/93/14/51/1092931451.db2.gz RSTGCZNAHXKUIW-UHFFFAOYSA-N -1 3 339.424 2.874 20 30 EFEDHM C#CCN(C(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C)C(C)C ZINC001588348890 1092931461 /nfs/dbraw/zinc/93/14/61/1092931461.db2.gz RSTGCZNAHXKUIW-UHFFFAOYSA-N -1 3 339.424 2.874 20 30 EFEDHM C#CCOc1ccccc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588363030 1092931957 /nfs/dbraw/zinc/93/19/57/1092931957.db2.gz GILCAQOAWHIGGX-VAWYXSNFSA-N -1 3 345.362 2.531 20 30 EFEDHM C#CCOc1ccccc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588363030 1092931964 /nfs/dbraw/zinc/93/19/64/1092931964.db2.gz GILCAQOAWHIGGX-VAWYXSNFSA-N -1 3 345.362 2.531 20 30 EFEDHM C#CCCCCCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588346147 1092932274 /nfs/dbraw/zinc/93/22/74/1092932274.db2.gz ZJWFOJOKTMBJMA-UHFFFAOYSA-N -1 3 342.399 2.761 20 30 EFEDHM C#CCCCCCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588346147 1092932285 /nfs/dbraw/zinc/93/22/85/1092932285.db2.gz ZJWFOJOKTMBJMA-UHFFFAOYSA-N -1 3 342.399 2.761 20 30 EFEDHM C#CCCCCCOC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588345857 1092932397 /nfs/dbraw/zinc/93/23/97/1092932397.db2.gz NRWZPLUDRVTYLN-UHFFFAOYSA-N -1 3 342.374 2.774 20 30 EFEDHM C#CCCCCCOC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588345857 1092932408 /nfs/dbraw/zinc/93/24/08/1092932408.db2.gz NRWZPLUDRVTYLN-UHFFFAOYSA-N -1 3 342.374 2.774 20 30 EFEDHM C#Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC001588374947 1092934125 /nfs/dbraw/zinc/93/41/25/1092934125.db2.gz XPLBLGOMWGIILM-UHFFFAOYSA-N -1 3 337.770 2.683 20 30 EFEDHM C#Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001588374947 1092934136 /nfs/dbraw/zinc/93/41/36/1092934136.db2.gz XPLBLGOMWGIILM-UHFFFAOYSA-N -1 3 337.770 2.683 20 30 EFEDHM C#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC001588374840 1092934225 /nfs/dbraw/zinc/93/42/25/1092934225.db2.gz RDKVHRGYMHSDPZ-UHFFFAOYSA-N -1 3 341.733 2.893 20 30 EFEDHM C#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC001588374840 1092934235 /nfs/dbraw/zinc/93/42/35/1092934235.db2.gz RDKVHRGYMHSDPZ-UHFFFAOYSA-N -1 3 341.733 2.893 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC001588376675 1092935783 /nfs/dbraw/zinc/93/57/83/1092935783.db2.gz JBPQKCBXAPQEBN-UHFFFAOYSA-N -1 3 349.419 2.579 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC001588376675 1092935788 /nfs/dbraw/zinc/93/57/88/1092935788.db2.gz JBPQKCBXAPQEBN-UHFFFAOYSA-N -1 3 349.419 2.579 20 30 EFEDHM C(=NOCCC1CC1)c1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001588384455 1092936364 /nfs/dbraw/zinc/93/63/64/1092936364.db2.gz OZMABAQJIMIFLC-UHFFFAOYSA-N -1 3 336.399 2.867 20 30 EFEDHM C(=NOCCC1CC1)c1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001588384455 1092936373 /nfs/dbraw/zinc/93/63/73/1092936373.db2.gz OZMABAQJIMIFLC-UHFFFAOYSA-N -1 3 336.399 2.867 20 30 EFEDHM C=C(C)[C@H](CC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1)OCC ZINC001588402675 1092941785 /nfs/dbraw/zinc/94/17/85/1092941785.db2.gz JNOCRCJWXPSKQO-BBRMVZONSA-N -1 3 343.431 2.757 20 30 EFEDHM C=C(C)[C@H](CC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1)OCC ZINC001588402675 1092941795 /nfs/dbraw/zinc/94/17/95/1092941795.db2.gz JNOCRCJWXPSKQO-BBRMVZONSA-N -1 3 343.431 2.757 20 30 EFEDHM C=C(C)C[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001588405609 1092942719 /nfs/dbraw/zinc/94/27/19/1092942719.db2.gz OSCHMFZAHLBTIM-JTQLQIEISA-N -1 3 327.310 2.625 20 30 EFEDHM C=C(C)C[C@@H](CO)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001588405609 1092942731 /nfs/dbraw/zinc/94/27/31/1092942731.db2.gz OSCHMFZAHLBTIM-JTQLQIEISA-N -1 3 327.310 2.625 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588456228 1092946503 /nfs/dbraw/zinc/94/65/03/1092946503.db2.gz JEYGMGJKMDZJLL-OKILXGFUSA-N -1 3 341.440 2.668 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588456228 1092946514 /nfs/dbraw/zinc/94/65/14/1092946514.db2.gz JEYGMGJKMDZJLL-OKILXGFUSA-N -1 3 341.440 2.668 20 30 EFEDHM C=C(CC)CNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001588441474 1092946757 /nfs/dbraw/zinc/94/67/57/1092946757.db2.gz FVWFGFKVYLFYBQ-UHFFFAOYSA-N -1 3 344.444 2.557 20 30 EFEDHM C=C1CCN(c2ccc(-c3nnn[n-]3)c(N3CCC(=C)CC3)n2)CC1 ZINC001588462461 1092948763 /nfs/dbraw/zinc/94/87/63/1092948763.db2.gz HKQMZLQSBPDXBY-UHFFFAOYSA-N -1 3 337.431 2.575 20 30 EFEDHM C=C1CCN(c2ccc(-c3nn[n-]n3)c(N3CCC(=C)CC3)n2)CC1 ZINC001588462461 1092948773 /nfs/dbraw/zinc/94/87/73/1092948773.db2.gz HKQMZLQSBPDXBY-UHFFFAOYSA-N -1 3 337.431 2.575 20 30 EFEDHM C=C1CCN(Cc2cc(-c3nn[n-]n3)ccc2Br)CC1 ZINC001588462994 1092949012 /nfs/dbraw/zinc/94/90/12/1092949012.db2.gz VZLGTRAEQGSLNJ-UHFFFAOYSA-N -1 3 334.221 2.781 20 30 EFEDHM C=CC(C)(C)CCNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588486271 1092950058 /nfs/dbraw/zinc/95/00/58/1092950058.db2.gz FBJAHXLSBGYAFK-UHFFFAOYSA-N -1 3 325.416 2.617 20 30 EFEDHM C=CC(C)(C)CCNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588486271 1092950067 /nfs/dbraw/zinc/95/00/67/1092950067.db2.gz FBJAHXLSBGYAFK-UHFFFAOYSA-N -1 3 325.416 2.617 20 30 EFEDHM C=C1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001588462629 1092950434 /nfs/dbraw/zinc/95/04/34/1092950434.db2.gz RCESBTSSPGDPMO-UHFFFAOYSA-N -1 3 331.807 2.996 20 30 EFEDHM C=C1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001588462629 1092950444 /nfs/dbraw/zinc/95/04/44/1092950444.db2.gz RCESBTSSPGDPMO-UHFFFAOYSA-N -1 3 331.807 2.996 20 30 EFEDHM C=C[C@@H](C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588468009 1092950987 /nfs/dbraw/zinc/95/09/87/1092950987.db2.gz OVIVVGSKWPQDBX-CQSZACIVSA-N -1 3 335.367 2.784 20 30 EFEDHM C=C[C@@H](C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588468009 1092950997 /nfs/dbraw/zinc/95/09/97/1092950997.db2.gz OVIVVGSKWPQDBX-CQSZACIVSA-N -1 3 335.367 2.784 20 30 EFEDHM C=C[C@H](C)ONC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588518845 1092951661 /nfs/dbraw/zinc/95/16/61/1092951661.db2.gz MERUCBKLOBQVSH-JTQLQIEISA-N -1 3 346.391 2.672 20 30 EFEDHM C=C[C@H](C)ONC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588518845 1092951667 /nfs/dbraw/zinc/95/16/67/1092951667.db2.gz MERUCBKLOBQVSH-JTQLQIEISA-N -1 3 346.391 2.672 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588488129 1092951684 /nfs/dbraw/zinc/95/16/84/1092951684.db2.gz XNEWIUVLBWUIGE-UHFFFAOYSA-N -1 3 344.419 2.989 20 30 EFEDHM C=CC(C)(C)CCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588488129 1092951689 /nfs/dbraw/zinc/95/16/89/1092951689.db2.gz XNEWIUVLBWUIGE-UHFFFAOYSA-N -1 3 344.419 2.989 20 30 EFEDHM C=CC[C@H](CC)NC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001588541821 1092954606 /nfs/dbraw/zinc/95/46/06/1092954606.db2.gz SVJOYFSTVRCJLT-LBPRGKRZSA-N -1 3 343.435 2.717 20 30 EFEDHM C=CC[C@H](CC)NC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001588541821 1092954615 /nfs/dbraw/zinc/95/46/15/1092954615.db2.gz SVJOYFSTVRCJLT-LBPRGKRZSA-N -1 3 343.435 2.717 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001588545998 1092957219 /nfs/dbraw/zinc/95/72/19/1092957219.db2.gz UJNXFIOVMVCRQO-ZDUSSCGKSA-N -1 3 339.424 2.845 20 30 EFEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001588545998 1092957228 /nfs/dbraw/zinc/95/72/28/1092957228.db2.gz UJNXFIOVMVCRQO-ZDUSSCGKSA-N -1 3 339.424 2.845 20 30 EFEDHM C=CCC1(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001588556026 1092957898 /nfs/dbraw/zinc/95/78/98/1092957898.db2.gz AEPPANYVFLPCIE-ZDUSSCGKSA-N -1 3 342.399 2.924 20 30 EFEDHM C=CCC1(C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001588556026 1092957912 /nfs/dbraw/zinc/95/79/12/1092957912.db2.gz AEPPANYVFLPCIE-ZDUSSCGKSA-N -1 3 342.399 2.924 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588542353 1092958856 /nfs/dbraw/zinc/95/88/56/1092958856.db2.gz YTUDEHBNEFRHIF-MRXNPFEDSA-N -1 3 340.431 2.919 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588542353 1092958864 /nfs/dbraw/zinc/95/88/64/1092958864.db2.gz YTUDEHBNEFRHIF-MRXNPFEDSA-N -1 3 340.431 2.919 20 30 EFEDHM C=CCC(CC=C)C(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc21 ZINC001588544697 1092959035 /nfs/dbraw/zinc/95/90/35/1092959035.db2.gz PTQBIFFHVMBOAD-UHFFFAOYSA-N -1 3 337.387 2.758 20 30 EFEDHM C=CCC(CC=C)C(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc21 ZINC001588544697 1092959043 /nfs/dbraw/zinc/95/90/43/1092959043.db2.gz PTQBIFFHVMBOAD-UHFFFAOYSA-N -1 3 337.387 2.758 20 30 EFEDHM C=CCC(CC=C)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588544699 1092959242 /nfs/dbraw/zinc/95/92/42/1092959242.db2.gz PVFHWCQVZABWNY-UHFFFAOYSA-N -1 3 331.807 2.905 20 30 EFEDHM C=CCC(CC=C)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588544699 1092959248 /nfs/dbraw/zinc/95/92/48/1092959248.db2.gz PVFHWCQVZABWNY-UHFFFAOYSA-N -1 3 331.807 2.905 20 30 EFEDHM C=CC[C@@H]1CCCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001588561284 1092960756 /nfs/dbraw/zinc/96/07/56/1092960756.db2.gz YYMCESZAZZQRGV-SNVBAGLBSA-N -1 3 332.339 2.707 20 30 EFEDHM C=CC[C@@H]1CCCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001588561284 1092960763 /nfs/dbraw/zinc/96/07/63/1092960763.db2.gz YYMCESZAZZQRGV-SNVBAGLBSA-N -1 3 332.339 2.707 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588561275 1092960854 /nfs/dbraw/zinc/96/08/54/1092960854.db2.gz YTOFBHPWTXJKRD-ZBFHGGJFSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588561275 1092960861 /nfs/dbraw/zinc/96/08/61/1092960861.db2.gz YTOFBHPWTXJKRD-ZBFHGGJFSA-N -1 3 340.431 2.801 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588558567 1092961704 /nfs/dbraw/zinc/96/17/04/1092961704.db2.gz AMRGZTNPICVKMJ-DOMZBBRYSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588558567 1092961712 /nfs/dbraw/zinc/96/17/12/1092961712.db2.gz AMRGZTNPICVKMJ-DOMZBBRYSA-N -1 3 341.415 2.740 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)C1 ZINC001588564410 1092962602 /nfs/dbraw/zinc/96/26/02/1092962602.db2.gz NBIHIFLYRANPCN-NSHDSACASA-N -1 3 330.367 2.744 20 30 EFEDHM C=CC[C@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)C1 ZINC001588564410 1092962611 /nfs/dbraw/zinc/96/26/11/1092962611.db2.gz NBIHIFLYRANPCN-NSHDSACASA-N -1 3 330.367 2.744 20 30 EFEDHM C=CCCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588593321 1092964677 /nfs/dbraw/zinc/96/46/77/1092964677.db2.gz BYXCAYLIDJQLTO-UHFFFAOYSA-N -1 3 328.420 2.908 20 30 EFEDHM C=CCCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588593321 1092964688 /nfs/dbraw/zinc/96/46/88/1092964688.db2.gz BYXCAYLIDJQLTO-UHFFFAOYSA-N -1 3 328.420 2.908 20 30 EFEDHM C=CCCCN(CC)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588601243 1092966224 /nfs/dbraw/zinc/96/62/24/1092966224.db2.gz FZOPYCULBKTMPP-UHFFFAOYSA-N -1 3 332.383 2.504 20 30 EFEDHM C=CCCCN(CC)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588601243 1092966230 /nfs/dbraw/zinc/96/62/30/1092966230.db2.gz FZOPYCULBKTMPP-UHFFFAOYSA-N -1 3 332.383 2.504 20 30 EFEDHM C=CCCCC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001588594903 1092966868 /nfs/dbraw/zinc/96/68/68/1092966868.db2.gz VMSBYCIHLNQEIR-UHFFFAOYSA-N -1 3 336.193 2.924 20 30 EFEDHM C=CCCCC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001588594903 1092966875 /nfs/dbraw/zinc/96/68/75/1092966875.db2.gz VMSBYCIHLNQEIR-UHFFFAOYSA-N -1 3 336.193 2.924 20 30 EFEDHM C=CCCCCNC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588596050 1092967009 /nfs/dbraw/zinc/96/70/09/1092967009.db2.gz GSHGNIBKDUZCII-UHFFFAOYSA-N -1 3 329.379 2.510 20 30 EFEDHM C=CCCCCNC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588596050 1092967014 /nfs/dbraw/zinc/96/70/14/1092967014.db2.gz GSHGNIBKDUZCII-UHFFFAOYSA-N -1 3 329.379 2.510 20 30 EFEDHM C=CCCCN(C)C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588602046 1092967849 /nfs/dbraw/zinc/96/78/49/1092967849.db2.gz YZRYLILBTVDCHR-UHFFFAOYSA-N -1 3 331.395 2.708 20 30 EFEDHM C=CCCCN(C)C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588602046 1092967855 /nfs/dbraw/zinc/96/78/55/1092967855.db2.gz YZRYLILBTVDCHR-UHFFFAOYSA-N -1 3 331.395 2.708 20 30 EFEDHM C=CCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001588603227 1092968266 /nfs/dbraw/zinc/96/82/66/1092968266.db2.gz IMXAMQVPSIRRHV-UHFFFAOYSA-N -1 3 330.392 2.694 20 30 EFEDHM C=CCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001588603227 1092968274 /nfs/dbraw/zinc/96/82/74/1092968274.db2.gz IMXAMQVPSIRRHV-UHFFFAOYSA-N -1 3 330.392 2.694 20 30 EFEDHM C=CCCOCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC ZINC001588617939 1092969179 /nfs/dbraw/zinc/96/91/79/1092969179.db2.gz IVHTWJWKUOYZBJ-UHFFFAOYSA-N -1 3 344.419 2.610 20 30 EFEDHM C=CCN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001588625385 1092969663 /nfs/dbraw/zinc/96/96/63/1092969663.db2.gz HUILRHANHIADPF-UHFFFAOYSA-N -1 3 331.445 2.523 20 30 EFEDHM C=CCN(C(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001588625385 1092969672 /nfs/dbraw/zinc/96/96/72/1092969672.db2.gz HUILRHANHIADPF-UHFFFAOYSA-N -1 3 331.445 2.523 20 30 EFEDHM C=CCN(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC001588626465 1092969810 /nfs/dbraw/zinc/96/98/10/1092969810.db2.gz IISFCPQXEUMVIV-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCN(C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC001588626465 1092969813 /nfs/dbraw/zinc/96/98/13/1092969813.db2.gz IISFCPQXEUMVIV-UHFFFAOYSA-N -1 3 349.394 2.704 20 30 EFEDHM C=CCCOCCCCC(=O)Nc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588617994 1092970132 /nfs/dbraw/zinc/97/01/32/1092970132.db2.gz MFLCZYSNBSLCBF-UHFFFAOYSA-N -1 3 344.419 2.580 20 30 EFEDHM C=CCCOCCCCC(=O)Nc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588617994 1092970144 /nfs/dbraw/zinc/97/01/44/1092970144.db2.gz MFLCZYSNBSLCBF-UHFFFAOYSA-N -1 3 344.419 2.580 20 30 EFEDHM C=CCN(C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)c1ccccc1 ZINC001588626170 1092970427 /nfs/dbraw/zinc/97/04/27/1092970427.db2.gz VIMGVAUOVUZNMB-UHFFFAOYSA-N -1 3 340.774 2.748 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001588639227 1092972217 /nfs/dbraw/zinc/97/22/17/1092972217.db2.gz PUFPYHAUFLKQGS-HGKCTWBKSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001588639227 1092972225 /nfs/dbraw/zinc/97/22/25/1092972225.db2.gz PUFPYHAUFLKQGS-HGKCTWBKSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC001588632124 1092972297 /nfs/dbraw/zinc/97/22/97/1092972297.db2.gz KLWLIQNIXBSBPI-UHFFFAOYSA-N -1 3 347.220 2.531 20 30 EFEDHM C=CCN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC001588632124 1092972303 /nfs/dbraw/zinc/97/23/03/1092972303.db2.gz KLWLIQNIXBSBPI-UHFFFAOYSA-N -1 3 347.220 2.531 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC1(C)CC1 ZINC001588639981 1092972437 /nfs/dbraw/zinc/97/24/37/1092972437.db2.gz HTMWRLXGSPDKSZ-UHFFFAOYSA-N -1 3 325.416 2.962 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC1(C)CC1 ZINC001588639981 1092972444 /nfs/dbraw/zinc/97/24/44/1092972444.db2.gz HTMWRLXGSPDKSZ-UHFFFAOYSA-N -1 3 325.416 2.962 20 30 EFEDHM CN(C)Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)no1 ZINC001650144658 1092972352 /nfs/dbraw/zinc/97/23/52/1092972352.db2.gz RCHUJEIPVWQYFU-UHFFFAOYSA-N -1 3 330.413 2.800 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1occc1C ZINC001588639450 1092972723 /nfs/dbraw/zinc/97/27/23/1092972723.db2.gz AFWOLZBAAADDFW-UHFFFAOYSA-N -1 3 337.383 2.525 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1occc1C ZINC001588639450 1092972736 /nfs/dbraw/zinc/97/27/36/1092972736.db2.gz AFWOLZBAAADDFW-UHFFFAOYSA-N -1 3 337.383 2.525 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001588638426 1092973215 /nfs/dbraw/zinc/97/32/15/1092973215.db2.gz CCTDMVAYMSQWCR-WBQNTZJQSA-N -1 3 337.427 2.673 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC001588638426 1092973226 /nfs/dbraw/zinc/97/32/26/1092973226.db2.gz CCTDMVAYMSQWCR-WBQNTZJQSA-N -1 3 337.427 2.673 20 30 EFEDHM C=CCN(c1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1)C1CC1 ZINC001588653426 1092974760 /nfs/dbraw/zinc/97/47/60/1092974760.db2.gz HWEWVAXTFNOXJF-UHFFFAOYSA-N -1 3 335.371 2.604 20 30 EFEDHM C=CCN(c1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1)C1CC1 ZINC001588653426 1092974767 /nfs/dbraw/zinc/97/47/67/1092974767.db2.gz HWEWVAXTFNOXJF-UHFFFAOYSA-N -1 3 335.371 2.604 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)cc(C)n1 ZINC001588648944 1092975835 /nfs/dbraw/zinc/97/58/35/1092975835.db2.gz DZDSFAVHMXTXGM-UHFFFAOYSA-N -1 3 348.410 2.707 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)cc(C)n1 ZINC001588648944 1092975840 /nfs/dbraw/zinc/97/58/40/1092975840.db2.gz DZDSFAVHMXTXGM-UHFFFAOYSA-N -1 3 348.410 2.707 20 30 EFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588653654 1092976480 /nfs/dbraw/zinc/97/64/80/1092976480.db2.gz SEDIVXLXJFXQSR-UHFFFAOYSA-N -1 3 344.378 2.567 20 30 EFEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588653654 1092976489 /nfs/dbraw/zinc/97/64/89/1092976489.db2.gz SEDIVXLXJFXQSR-UHFFFAOYSA-N -1 3 344.378 2.567 20 30 EFEDHM C=CCN(Cc1csc(-c2nnn[n-]2)c1)Cc1cccc(C#N)c1 ZINC001588653568 1092976960 /nfs/dbraw/zinc/97/69/60/1092976960.db2.gz NJAGTZGDYKWUMZ-UHFFFAOYSA-N -1 3 336.424 2.988 20 30 EFEDHM C=CCN(Cc1csc(-c2nn[n-]n2)c1)Cc1cccc(C#N)c1 ZINC001588653568 1092976970 /nfs/dbraw/zinc/97/69/70/1092976970.db2.gz NJAGTZGDYKWUMZ-UHFFFAOYSA-N -1 3 336.424 2.988 20 30 EFEDHM C=CCOCCCCOC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588683034 1092977560 /nfs/dbraw/zinc/97/75/60/1092977560.db2.gz WQVQEXOCPAJUEN-UHFFFAOYSA-N -1 3 344.415 2.552 20 30 EFEDHM C=CCOCCCCOC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588683034 1092977565 /nfs/dbraw/zinc/97/75/65/1092977565.db2.gz WQVQEXOCPAJUEN-UHFFFAOYSA-N -1 3 344.415 2.552 20 30 EFEDHM C=CCO[C@H]1CCN(c2ccc(C(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001588665992 1092978601 /nfs/dbraw/zinc/97/86/01/1092978601.db2.gz VYGOUIJTHQFASO-NSHDSACASA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCO[C@H]1CCN(c2ccc(C(F)(F)F)c(-c3nn[n-]n3)c2)C1 ZINC001588665992 1092978607 /nfs/dbraw/zinc/97/86/07/1092978607.db2.gz VYGOUIJTHQFASO-NSHDSACASA-N -1 3 339.321 2.667 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@H](C)C[C@H]2C ZINC001588680749 1092978692 /nfs/dbraw/zinc/97/86/92/1092978692.db2.gz BLCIWAZOIFPWER-NXEZZACHSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@H](C)C[C@H]2C ZINC001588680749 1092978703 /nfs/dbraw/zinc/97/87/03/1092978703.db2.gz BLCIWAZOIFPWER-NXEZZACHSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@H](C)C[C@@H]2C ZINC001588680752 1092978748 /nfs/dbraw/zinc/97/87/48/1092978748.db2.gz BLCIWAZOIFPWER-ZJUUUORDSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCOCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@H](C)C[C@@H]2C ZINC001588680752 1092978758 /nfs/dbraw/zinc/97/87/58/1092978758.db2.gz BLCIWAZOIFPWER-ZJUUUORDSA-N -1 3 347.444 2.755 20 30 EFEDHM C=CCn1cnnc1SCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001588716391 1092980251 /nfs/dbraw/zinc/98/02/51/1092980251.db2.gz DUPKLOMUMSXJNV-UHFFFAOYSA-N -1 3 333.808 2.590 20 30 EFEDHM C=CCn1cnnc1SCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001588716391 1092980259 /nfs/dbraw/zinc/98/02/59/1092980259.db2.gz DUPKLOMUMSXJNV-UHFFFAOYSA-N -1 3 333.808 2.590 20 30 EFEDHM CC#CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC001588746039 1092983458 /nfs/dbraw/zinc/98/34/58/1092983458.db2.gz KYCGDCISRUSNEC-UHFFFAOYSA-N -1 3 326.404 2.821 20 30 EFEDHM CC#CC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC001588739114 1092984000 /nfs/dbraw/zinc/98/40/00/1092984000.db2.gz ZCODWFYQRSVYMP-UHFFFAOYSA-N -1 3 337.314 2.760 20 30 EFEDHM CC#CC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC001588739114 1092984011 /nfs/dbraw/zinc/98/40/11/1092984011.db2.gz ZCODWFYQRSVYMP-UHFFFAOYSA-N -1 3 337.314 2.760 20 30 EFEDHM CC#CC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC001588738851 1092984419 /nfs/dbraw/zinc/98/44/19/1092984419.db2.gz STCWPURVYIKXPY-UHFFFAOYSA-N -1 3 333.351 2.929 20 30 EFEDHM CC#CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC001588738851 1092984427 /nfs/dbraw/zinc/98/44/27/1092984427.db2.gz STCWPURVYIKXPY-UHFFFAOYSA-N -1 3 333.351 2.929 20 30 EFEDHM CC(=NNC[C@H]1CCSC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588777384 1092991655 /nfs/dbraw/zinc/99/16/55/1092991655.db2.gz QYGQKKKBQHIFHU-SNVBAGLBSA-N -1 3 336.852 2.587 20 30 EFEDHM CC(=NNC[C@H]1CCSC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588777384 1092991665 /nfs/dbraw/zinc/99/16/65/1092991665.db2.gz QYGQKKKBQHIFHU-SNVBAGLBSA-N -1 3 336.852 2.587 20 30 EFEDHM CC(=NNCc1ccccc1N(C)C)c1ccc(-c2nnn[n-]2)s1 ZINC001588777356 1092992815 /nfs/dbraw/zinc/99/28/15/1092992815.db2.gz PBEHDGDIGYJAFH-UHFFFAOYSA-N -1 3 341.444 2.508 20 30 EFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1nc2ccccc2n1C ZINC001588781042 1092993063 /nfs/dbraw/zinc/99/30/63/1092993063.db2.gz ZEADEDKNPLVIAT-UHFFFAOYSA-N -1 3 332.371 2.590 20 30 EFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1nc2ccccc2n1C ZINC001588781042 1092993070 /nfs/dbraw/zinc/99/30/70/1092993070.db2.gz ZEADEDKNPLVIAT-UHFFFAOYSA-N -1 3 332.371 2.590 20 30 EFEDHM CC(=NNc1cccc2c1CCCC2)c1cc(-c2nnn[n-]2)ccn1 ZINC001588780688 1092993352 /nfs/dbraw/zinc/99/33/52/1092993352.db2.gz JRYUONUVIHQAQP-UHFFFAOYSA-N -1 3 333.399 2.977 20 30 EFEDHM CC(=NNc1cccc2c1CCCC2)c1cc(-c2nn[n-]n2)ccn1 ZINC001588780688 1092993366 /nfs/dbraw/zinc/99/33/66/1092993366.db2.gz JRYUONUVIHQAQP-UHFFFAOYSA-N -1 3 333.399 2.977 20 30 EFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001588882783 1092999801 /nfs/dbraw/zinc/99/98/01/1092999801.db2.gz SNRYKJYTHLLHIK-HJWRWDBZSA-N -1 3 333.351 2.721 20 30 EFEDHM CC(=O)Nc1cccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001588882783 1092999811 /nfs/dbraw/zinc/99/98/11/1092999811.db2.gz SNRYKJYTHLLHIK-HJWRWDBZSA-N -1 3 333.351 2.721 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CN2Cc3cccc(-c4nnn[n-]4)c3C2)cc1 ZINC001588936316 1093015835 /nfs/dbraw/zinc/01/58/35/1093015835.db2.gz IAWJKOSXNCDWDC-ZDUSSCGKSA-N -1 3 346.394 2.673 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CN2Cc3cccc(-c4nn[n-]n4)c3C2)cc1 ZINC001588936316 1093015838 /nfs/dbraw/zinc/01/58/38/1093015838.db2.gz IAWJKOSXNCDWDC-ZDUSSCGKSA-N -1 3 346.394 2.673 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CNc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001588937306 1093016030 /nfs/dbraw/zinc/01/60/30/1093016030.db2.gz VXCDXVZJRPBZKF-NSHDSACASA-N -1 3 338.346 2.909 20 30 EFEDHM C[C@@H](C#N)Oc1ccc(CNc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001588937306 1093016036 /nfs/dbraw/zinc/01/60/36/1093016036.db2.gz VXCDXVZJRPBZKF-NSHDSACASA-N -1 3 338.346 2.909 20 30 EFEDHM CC(C)(C#N)CCCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001589034215 1093019578 /nfs/dbraw/zinc/01/95/78/1093019578.db2.gz UGRALGQOYUDMGP-UHFFFAOYSA-N -1 3 342.432 2.528 20 30 EFEDHM CC(C)(C#N)CCCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001589034215 1093019584 /nfs/dbraw/zinc/01/95/84/1093019584.db2.gz UGRALGQOYUDMGP-UHFFFAOYSA-N -1 3 342.432 2.528 20 30 EFEDHM CC(C)(C#N)CCCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001589033354 1093020331 /nfs/dbraw/zinc/02/03/31/1093020331.db2.gz FROOVKZBLUGSQA-UHFFFAOYSA-N -1 3 342.432 2.528 20 30 EFEDHM CC(C)(C#N)CCCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001589033354 1093020338 /nfs/dbraw/zinc/02/03/38/1093020338.db2.gz FROOVKZBLUGSQA-UHFFFAOYSA-N -1 3 342.432 2.528 20 30 EFEDHM CC(C)(C(=O)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC001589063422 1093025618 /nfs/dbraw/zinc/02/56/18/1093025618.db2.gz DMKPWPXYRJCBBR-UHFFFAOYSA-N -1 3 333.351 2.622 20 30 EFEDHM CC(C)(C(=O)Oc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC001589063422 1093025621 /nfs/dbraw/zinc/02/56/21/1093025621.db2.gz DMKPWPXYRJCBBR-UHFFFAOYSA-N -1 3 333.351 2.622 20 30 EFEDHM CC(C)(C)[C@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)CS1 ZINC001589096264 1093026786 /nfs/dbraw/zinc/02/67/86/1093026786.db2.gz MTLYHZIXGIIQPR-CQSZACIVSA-N -1 3 330.461 2.864 20 30 EFEDHM CC(C)(C)[C@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)CS1 ZINC001589096264 1093026790 /nfs/dbraw/zinc/02/67/90/1093026790.db2.gz MTLYHZIXGIIQPR-CQSZACIVSA-N -1 3 330.461 2.864 20 30 EFEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCCCCC#N ZINC001589250681 1093057723 /nfs/dbraw/zinc/05/77/23/1093057723.db2.gz AQYLVPWGFLCHDT-UHFFFAOYSA-N -1 3 329.408 2.836 20 30 EFEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCCCCC#N ZINC001589250681 1093057729 /nfs/dbraw/zinc/05/77/29/1093057729.db2.gz AQYLVPWGFLCHDT-UHFFFAOYSA-N -1 3 329.408 2.836 20 30 EFEDHM CC(C)(CCC#N)COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001589272901 1093062796 /nfs/dbraw/zinc/06/27/96/1093062796.db2.gz SITNSYLPKZBRRO-UHFFFAOYSA-N -1 3 327.388 2.672 20 30 EFEDHM CC(C)(CCC#N)COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001589272901 1093062801 /nfs/dbraw/zinc/06/28/01/1093062801.db2.gz SITNSYLPKZBRRO-UHFFFAOYSA-N -1 3 327.388 2.672 20 30 EFEDHM CC(C)[C@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001589763360 1093137129 /nfs/dbraw/zinc/13/71/29/1093137129.db2.gz FVHNSPPOHOIMKX-KRWDZBQOSA-N -1 3 346.394 2.812 20 30 EFEDHM CC(C)[C@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001589763360 1093137133 /nfs/dbraw/zinc/13/71/33/1093137133.db2.gz FVHNSPPOHOIMKX-KRWDZBQOSA-N -1 3 346.394 2.812 20 30 EFEDHM CC(C)c1nc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001589775530 1093142823 /nfs/dbraw/zinc/14/28/23/1093142823.db2.gz AAZNAIDORGLYHJ-UHFFFAOYSA-N -1 3 327.417 2.570 20 30 EFEDHM CC(C)c1nc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001589775530 1093142824 /nfs/dbraw/zinc/14/28/24/1093142824.db2.gz AAZNAIDORGLYHJ-UHFFFAOYSA-N -1 3 327.417 2.570 20 30 EFEDHM C[C@@H](CC#N)Nc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001589788205 1093148826 /nfs/dbraw/zinc/14/88/26/1093148826.db2.gz UWXKGSJRGTZEJU-NSHDSACASA-N -1 3 336.403 2.506 20 30 EFEDHM C[C@@H](CC#N)Nc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001589788205 1093148831 /nfs/dbraw/zinc/14/88/31/1093148831.db2.gz UWXKGSJRGTZEJU-NSHDSACASA-N -1 3 336.403 2.506 20 30 EFEDHM C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001589876341 1093162994 /nfs/dbraw/zinc/16/29/94/1093162994.db2.gz VFIFDXKKSCUJJF-LLVKDONJSA-N -1 3 349.354 2.862 20 30 EFEDHM C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001589876341 1093162998 /nfs/dbraw/zinc/16/29/98/1093162998.db2.gz VFIFDXKKSCUJJF-LLVKDONJSA-N -1 3 349.354 2.862 20 30 EFEDHM CC(F)(F)CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589908121 1093176826 /nfs/dbraw/zinc/17/68/26/1093176826.db2.gz GGZIRTCFJABFSO-UHFFFAOYSA-N -1 3 347.373 2.859 20 30 EFEDHM CC(F)(F)CNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589908121 1093176830 /nfs/dbraw/zinc/17/68/30/1093176830.db2.gz GGZIRTCFJABFSO-UHFFFAOYSA-N -1 3 347.373 2.859 20 30 EFEDHM C[C@@H](F)CCNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001589911280 1093178705 /nfs/dbraw/zinc/17/87/05/1093178705.db2.gz JZPRVFUJVXQUPR-LLVKDONJSA-N -1 3 343.410 2.952 20 30 EFEDHM C[C@@H](F)CCNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001589911280 1093178707 /nfs/dbraw/zinc/17/87/07/1093178707.db2.gz JZPRVFUJVXQUPR-LLVKDONJSA-N -1 3 343.410 2.952 20 30 EFEDHM C[C@H](NCc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(C#N)cc1F ZINC001589968476 1093201612 /nfs/dbraw/zinc/20/16/12/1093201612.db2.gz URXJEJSRONGREM-JTQLQIEISA-N -1 3 340.337 2.867 20 30 EFEDHM C[C@H](NCc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(C#N)cc1F ZINC001589968476 1093201626 /nfs/dbraw/zinc/20/16/26/1093201626.db2.gz URXJEJSRONGREM-JTQLQIEISA-N -1 3 340.337 2.867 20 30 EFEDHM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccccc1F ZINC001590038014 1093233233 /nfs/dbraw/zinc/23/32/33/1093233233.db2.gz WNSWXUKBLJFCPH-MRVPVSSYSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccccc1F ZINC001590038014 1093233238 /nfs/dbraw/zinc/23/32/38/1093233238.db2.gz WNSWXUKBLJFCPH-MRVPVSSYSA-N -1 3 341.375 2.708 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCC(C)(C)CC#N ZINC001590041441 1093235478 /nfs/dbraw/zinc/23/54/78/1093235478.db2.gz BAHHFRGIWDUJKJ-GFCCVEGCSA-N -1 3 341.419 2.509 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCC(C)(C)CC#N ZINC001590041441 1093235486 /nfs/dbraw/zinc/23/54/86/1093235486.db2.gz BAHHFRGIWDUJKJ-GFCCVEGCSA-N -1 3 341.419 2.509 20 30 EFEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Nc1ccc(C#N)cc1 ZINC001590044010 1093238107 /nfs/dbraw/zinc/23/81/07/1093238107.db2.gz NGRGYIGGDPLIPU-GFCCVEGCSA-N -1 3 347.382 2.963 20 30 EFEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Nc1ccc(C#N)cc1 ZINC001590044010 1093238113 /nfs/dbraw/zinc/23/81/13/1093238113.db2.gz NGRGYIGGDPLIPU-GFCCVEGCSA-N -1 3 347.382 2.963 20 30 EFEDHM CC1(C)CCC[C@@H]1OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590094782 1093263958 /nfs/dbraw/zinc/26/39/58/1093263958.db2.gz KPUJIIDBEXGRCS-GJZGRUSLSA-N -1 3 339.399 2.671 20 30 EFEDHM CC1(C)CCC[C@@H]1OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590094782 1093263966 /nfs/dbraw/zinc/26/39/66/1093263966.db2.gz KPUJIIDBEXGRCS-GJZGRUSLSA-N -1 3 339.399 2.671 20 30 EFEDHM CC1(C)CCCC[C@H]1NN=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001590098010 1093269629 /nfs/dbraw/zinc/26/96/29/1093269629.db2.gz YYSSKSOIOPLNTC-OAHLLOKOSA-N -1 3 339.447 2.861 20 30 EFEDHM CC1(C)CCCC[C@H]1NN=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001590098010 1093269631 /nfs/dbraw/zinc/26/96/31/1093269631.db2.gz YYSSKSOIOPLNTC-OAHLLOKOSA-N -1 3 339.447 2.861 20 30 EFEDHM C[C@@H]1C[C@@H]1CNc1nc2c(c(C#N)c1-c1nnn[n-]1)CCCCCC2 ZINC001590217499 1093309736 /nfs/dbraw/zinc/30/97/36/1093309736.db2.gz CEYMXAVNZYVHGQ-VXGBXAGGSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@@H]1C[C@@H]1CNc1nc2c(c(C#N)c1-c1nn[n-]n1)CCCCCC2 ZINC001590217499 1093309740 /nfs/dbraw/zinc/30/97/40/1093309740.db2.gz CEYMXAVNZYVHGQ-VXGBXAGGSA-N -1 3 337.431 2.860 20 30 EFEDHM C[C@H]1CCCN1c1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001590265559 1093350714 /nfs/dbraw/zinc/35/07/14/1093350714.db2.gz UKNVCPRWZLNFNN-LBPRGKRZSA-N -1 3 337.431 2.781 20 30 EFEDHM C[C@H]1CCCN1c1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001590265559 1093350722 /nfs/dbraw/zinc/35/07/22/1093350722.db2.gz UKNVCPRWZLNFNN-LBPRGKRZSA-N -1 3 337.431 2.781 20 30 EFEDHM C[C@@H]1C(N=Nc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CO[C@H]1C ZINC001590334634 1093382224 /nfs/dbraw/zinc/38/22/24/1093382224.db2.gz LAFMRNXMPSTREJ-YUMQZZPRSA-N -1 3 340.309 2.708 20 30 EFEDHM C[C@@H]1C(N=Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CO[C@H]1C ZINC001590334634 1093382231 /nfs/dbraw/zinc/38/22/31/1093382231.db2.gz LAFMRNXMPSTREJ-YUMQZZPRSA-N -1 3 340.309 2.708 20 30 EFEDHM CCC(=O)Nc1ccc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001590365268 1093390656 /nfs/dbraw/zinc/39/06/56/1093390656.db2.gz NQHHUVBNGLNHEE-UHFFFAOYSA-N -1 3 333.355 2.830 20 30 EFEDHM CCC(=O)Nc1ccc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001590365268 1093390661 /nfs/dbraw/zinc/39/06/61/1093390661.db2.gz NQHHUVBNGLNHEE-UHFFFAOYSA-N -1 3 333.355 2.830 20 30 EFEDHM CCC(CC)[C@H](CCNc1c(C#N)cccc1-c1nnn[n-]1)OC ZINC001590432806 1093419606 /nfs/dbraw/zinc/41/96/06/1093419606.db2.gz OYLMHJBZLFYFSW-HNNXBMFYSA-N -1 3 328.420 2.992 20 30 EFEDHM CCC(CC)[C@H](CCNc1c(C#N)cccc1-c1nn[n-]n1)OC ZINC001590432806 1093419611 /nfs/dbraw/zinc/41/96/11/1093419611.db2.gz OYLMHJBZLFYFSW-HNNXBMFYSA-N -1 3 328.420 2.992 20 30 EFEDHM C[C@@H](CNc1cccc(F)c1C#N)N(C)C(=O)c1ccccc1[O-] ZINC001104472460 1093438202 /nfs/dbraw/zinc/43/82/02/1093438202.db2.gz ULRGPPXXBCWNES-LBPRGKRZSA-N -1 3 327.359 2.976 20 30 EFEDHM C[C@H](CNc1ncc(C#N)cc1Cl)N(C)C(=O)c1ccccc1[O-] ZINC001104472445 1093438387 /nfs/dbraw/zinc/43/83/87/1093438387.db2.gz UAPIIJDYCRBJKH-LLVKDONJSA-N -1 3 344.802 2.885 20 30 EFEDHM CCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001590531517 1093475617 /nfs/dbraw/zinc/47/56/17/1093475617.db2.gz MKSWTPPZCYJZDZ-GFCCVEGCSA-N -1 3 338.396 2.967 20 30 EFEDHM CCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001590531517 1093475624 /nfs/dbraw/zinc/47/56/24/1093475624.db2.gz MKSWTPPZCYJZDZ-GFCCVEGCSA-N -1 3 338.396 2.967 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590538924 1093476090 /nfs/dbraw/zinc/47/60/90/1093476090.db2.gz RWZREZNPWDRZAF-UHFFFAOYSA-N -1 3 330.367 2.598 20 30 EFEDHM CCCC(C#N)(CCC)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590538924 1093476095 /nfs/dbraw/zinc/47/60/95/1093476095.db2.gz RWZREZNPWDRZAF-UHFFFAOYSA-N -1 3 330.367 2.598 20 30 EFEDHM CCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC001590531519 1093476678 /nfs/dbraw/zinc/47/66/78/1093476678.db2.gz MKSWTPPZCYJZDZ-LBPRGKRZSA-N -1 3 338.396 2.967 20 30 EFEDHM CCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC001590531519 1093476682 /nfs/dbraw/zinc/47/66/82/1093476682.db2.gz MKSWTPPZCYJZDZ-LBPRGKRZSA-N -1 3 338.396 2.967 20 30 EFEDHM CCCC[C@H](ON=C(C)C)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC001590582891 1093499912 /nfs/dbraw/zinc/49/99/12/1093499912.db2.gz YWABECONLXDUQY-HNNXBMFYSA-N -1 3 345.403 2.881 20 30 EFEDHM CCCC[C@H](ON=C(C)C)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC001590582891 1093499919 /nfs/dbraw/zinc/49/99/19/1093499919.db2.gz YWABECONLXDUQY-HNNXBMFYSA-N -1 3 345.403 2.881 20 30 EFEDHM CCCc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590659185 1093533728 /nfs/dbraw/zinc/53/37/28/1093533728.db2.gz BZSLGPNEICQNDS-UHFFFAOYSA-N -1 3 332.367 2.943 20 30 EFEDHM CCCc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590659185 1093533730 /nfs/dbraw/zinc/53/37/30/1093533730.db2.gz BZSLGPNEICQNDS-UHFFFAOYSA-N -1 3 332.367 2.943 20 30 EFEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)[nH]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001590673234 1093542869 /nfs/dbraw/zinc/54/28/69/1093542869.db2.gz ZOERUYBHJAVNNR-LBPRGKRZSA-N -1 3 349.398 2.598 20 30 EFEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)[nH]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001590673234 1093542870 /nfs/dbraw/zinc/54/28/70/1093542870.db2.gz ZOERUYBHJAVNNR-LBPRGKRZSA-N -1 3 349.398 2.598 20 30 EFEDHM CCN(Cc1nc(C#N)cs1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590721525 1093558339 /nfs/dbraw/zinc/55/83/39/1093558339.db2.gz DJESYUYGYFVNAH-LLVKDONJSA-N -1 3 339.428 2.778 20 30 EFEDHM CCN(Cc1nc(C#N)cs1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590721525 1093558348 /nfs/dbraw/zinc/55/83/48/1093558348.db2.gz DJESYUYGYFVNAH-LLVKDONJSA-N -1 3 339.428 2.778 20 30 EFEDHM CCO[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cn2)C1(CC)CC ZINC001590786652 1093571777 /nfs/dbraw/zinc/57/17/77/1093571777.db2.gz LQCDOKRDFKIJOI-ZDUSSCGKSA-N -1 3 329.408 2.645 20 30 EFEDHM CCO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cn2)C1(CC)CC ZINC001590786652 1093571783 /nfs/dbraw/zinc/57/17/83/1093571783.db2.gz LQCDOKRDFKIJOI-ZDUSSCGKSA-N -1 3 329.408 2.645 20 30 EFEDHM CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)cc1 ZINC001590837158 1093590130 /nfs/dbraw/zinc/59/01/30/1093590130.db2.gz LWOUHSQDBHEEDW-ZROIWOOFSA-N -1 3 347.378 2.873 20 30 EFEDHM CCOc1ccc(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)cc1 ZINC001590837158 1093590135 /nfs/dbraw/zinc/59/01/35/1093590135.db2.gz LWOUHSQDBHEEDW-ZROIWOOFSA-N -1 3 347.378 2.873 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(F)c(C#N)c1 ZINC001590876700 1093609210 /nfs/dbraw/zinc/60/92/10/1093609210.db2.gz BCPWDYFNMXLIMG-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(F)c(C#N)c1 ZINC001590876700 1093609214 /nfs/dbraw/zinc/60/92/14/1093609214.db2.gz BCPWDYFNMXLIMG-UHFFFAOYSA-N -1 3 337.314 2.659 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001590877893 1093611073 /nfs/dbraw/zinc/61/10/73/1093611073.db2.gz GZESVHPYKMHRAK-UHFFFAOYSA-N -1 3 347.378 2.839 20 30 EFEDHM CCc1cc(C#N)ccc1OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001590877893 1093611077 /nfs/dbraw/zinc/61/10/77/1093611077.db2.gz GZESVHPYKMHRAK-UHFFFAOYSA-N -1 3 347.378 2.839 20 30 EFEDHM CCc1cc(C#N)ccc1OCc1cc(-c2nnn[n-]2)ccc1OC ZINC001590878709 1093611667 /nfs/dbraw/zinc/61/16/67/1093611667.db2.gz YYFQWBDTKWTYIF-UHFFFAOYSA-N -1 3 335.367 2.888 20 30 EFEDHM CCc1cc(C#N)ccc1OCc1cc(-c2nn[n-]n2)ccc1OC ZINC001590878709 1093611674 /nfs/dbraw/zinc/61/16/74/1093611674.db2.gz YYFQWBDTKWTYIF-UHFFFAOYSA-N -1 3 335.367 2.888 20 30 EFEDHM CCc1cccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1 ZINC001590894339 1093622301 /nfs/dbraw/zinc/62/23/01/1093622301.db2.gz FYQPQYUVHBNTLB-UHFFFAOYSA-N -1 3 337.412 2.570 20 30 EFEDHM CCc1cccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1 ZINC001590894339 1093622306 /nfs/dbraw/zinc/62/23/06/1093622306.db2.gz FYQPQYUVHBNTLB-UHFFFAOYSA-N -1 3 337.412 2.570 20 30 EFEDHM CCn1nc(C)c(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)c1C ZINC001590964073 1093640239 /nfs/dbraw/zinc/64/02/39/1093640239.db2.gz UIXCENOKDCDMEW-CMDGGOBGSA-N -1 3 340.362 2.735 20 30 EFEDHM CCn1nc(C)c(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)c1C ZINC001590964073 1093640246 /nfs/dbraw/zinc/64/02/46/1093640246.db2.gz UIXCENOKDCDMEW-CMDGGOBGSA-N -1 3 340.362 2.735 20 30 EFEDHM CCn1nccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001590969316 1093643747 /nfs/dbraw/zinc/64/37/47/1093643747.db2.gz DGDIPZZTRNTPJD-XQRVVYSFSA-N -1 3 328.763 2.633 20 30 EFEDHM CCn1nccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001590969316 1093643760 /nfs/dbraw/zinc/64/37/60/1093643760.db2.gz DGDIPZZTRNTPJD-XQRVVYSFSA-N -1 3 328.763 2.633 20 30 EFEDHM CN(CCOCc1ccc(-c2nnn[n-]2)cc1)[C@@H](C#N)c1ccccc1 ZINC001591116736 1093662614 /nfs/dbraw/zinc/66/26/14/1093662614.db2.gz XOFBGCLEPUGXPQ-SFHVURJKSA-N -1 3 348.410 2.580 20 30 EFEDHM CN(CCOCc1ccc(-c2nn[n-]n2)cc1)[C@@H](C#N)c1ccccc1 ZINC001591116736 1093662617 /nfs/dbraw/zinc/66/26/17/1093662617.db2.gz XOFBGCLEPUGXPQ-SFHVURJKSA-N -1 3 348.410 2.580 20 30 EFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ncc(C#N)c2ccsc21 ZINC001591144753 1093672330 /nfs/dbraw/zinc/67/23/30/1093672330.db2.gz ADJSJDMBIIGOGH-UHFFFAOYSA-N -1 3 347.407 2.984 20 30 EFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ncc(C#N)c2ccsc21 ZINC001591144753 1093672334 /nfs/dbraw/zinc/67/23/34/1093672334.db2.gz ADJSJDMBIIGOGH-UHFFFAOYSA-N -1 3 347.407 2.984 20 30 EFEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](CC#N)c1ccccc1 ZINC001591224358 1093680503 /nfs/dbraw/zinc/68/05/03/1093680503.db2.gz WLHYTONRKDSMPK-AWEZNQCLSA-N -1 3 347.382 2.544 20 30 EFEDHM COC(=O)CC(C)(C)CC(C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001591257697 1093682443 /nfs/dbraw/zinc/68/24/43/1093682443.db2.gz UHFGEGJLKYWFIN-UHFFFAOYSA-N -1 3 330.392 2.634 20 30 EFEDHM COC(=O)CC(C)(C)CC(C)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001591257697 1093682445 /nfs/dbraw/zinc/68/24/45/1093682445.db2.gz UHFGEGJLKYWFIN-UHFFFAOYSA-N -1 3 330.392 2.634 20 30 EFEDHM COCC(C)(C)CN=Nc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001591367933 1093707083 /nfs/dbraw/zinc/70/70/83/1093707083.db2.gz KNFMBGZRHBTNHX-UHFFFAOYSA-N -1 3 342.325 2.956 20 30 EFEDHM COCC(C)(C)CN=Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001591367933 1093707089 /nfs/dbraw/zinc/70/70/89/1093707089.db2.gz KNFMBGZRHBTNHX-UHFFFAOYSA-N -1 3 342.325 2.956 20 30 EFEDHM COc1cc(C=NNCc2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC001591522217 1093749586 /nfs/dbraw/zinc/74/95/86/1093749586.db2.gz DFSKNMLWUIOENG-UHFFFAOYSA-N -1 3 342.790 2.652 20 30 EFEDHM COc1cc(C=NNCc2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC001591522217 1093749588 /nfs/dbraw/zinc/74/95/88/1093749588.db2.gz DFSKNMLWUIOENG-UHFFFAOYSA-N -1 3 342.790 2.652 20 30 EFEDHM COc1ccc2ncc(-c3nnn[n-]3)c(N3CCC[C@H](CC#N)C3)c2c1 ZINC001591630376 1093805620 /nfs/dbraw/zinc/80/56/20/1093805620.db2.gz ARKBUPJRGJIKGU-GFCCVEGCSA-N -1 3 349.398 2.554 20 30 EFEDHM COc1ccc2ncc(-c3nn[n-]n3)c(N3CCC[C@H](CC#N)C3)c2c1 ZINC001591630376 1093805626 /nfs/dbraw/zinc/80/56/26/1093805626.db2.gz ARKBUPJRGJIKGU-GFCCVEGCSA-N -1 3 349.398 2.554 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC001591797283 1093861478 /nfs/dbraw/zinc/86/14/78/1093861478.db2.gz IFUNZVVJYZMZGH-UHFFFAOYSA-N -1 3 343.350 2.552 20 30 EFEDHM Cc1c2ccccn2c(NC(=O)c2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC001591797283 1093861482 /nfs/dbraw/zinc/86/14/82/1093861482.db2.gz IFUNZVVJYZMZGH-UHFFFAOYSA-N -1 3 343.350 2.552 20 30 EFEDHM Cc1c2c(nc(SCc3cc(-c4nnn[n-]4)ccn3)c1C#N)CCC2 ZINC001591800123 1093863527 /nfs/dbraw/zinc/86/35/27/1093863527.db2.gz WIUAWQKXDMCLQM-UHFFFAOYSA-N -1 3 349.423 2.618 20 30 EFEDHM Cc1c2c(nc(SCc3cc(-c4nn[n-]n4)ccn3)c1C#N)CCC2 ZINC001591800123 1093863531 /nfs/dbraw/zinc/86/35/31/1093863531.db2.gz WIUAWQKXDMCLQM-UHFFFAOYSA-N -1 3 349.423 2.618 20 30 EFEDHM Cc1c(C(=O)N[C@@H](C)c2cccc(C#N)c2)cccc1-c1nnn[n-]1 ZINC001591805533 1093864402 /nfs/dbraw/zinc/86/44/02/1093864402.db2.gz JFZZKVYGRCNHKH-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1c(C(=O)N[C@@H](C)c2cccc(C#N)c2)cccc1-c1nn[n-]n1 ZINC001591805533 1093864408 /nfs/dbraw/zinc/86/44/08/1093864408.db2.gz JFZZKVYGRCNHKH-LBPRGKRZSA-N -1 3 332.367 2.538 20 30 EFEDHM Cc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC001591812853 1093868632 /nfs/dbraw/zinc/86/86/32/1093868632.db2.gz KFLPBSCVZMMUQR-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c(C(=O)O[C@@H](C)c2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC001591812853 1093868637 /nfs/dbraw/zinc/86/86/37/1093868637.db2.gz KFLPBSCVZMMUQR-LBPRGKRZSA-N -1 3 333.351 2.965 20 30 EFEDHM Cc1c2c(nc(SCc3cc(C#N)ccn3)c1-c1nnn[n-]1)CCC2 ZINC001591830454 1093875849 /nfs/dbraw/zinc/87/58/49/1093875849.db2.gz ISZQTSYSTLGBEL-UHFFFAOYSA-N -1 3 349.423 2.618 20 30 EFEDHM Cc1c2c(nc(SCc3cc(C#N)ccn3)c1-c1nn[n-]n1)CCC2 ZINC001591830454 1093875853 /nfs/dbraw/zinc/87/58/53/1093875853.db2.gz ISZQTSYSTLGBEL-UHFFFAOYSA-N -1 3 349.423 2.618 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(C#N)c(F)c1 ZINC001591864564 1093900598 /nfs/dbraw/zinc/90/05/98/1093900598.db2.gz HPPGIMMNKSWGDL-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(C#N)c(F)c1 ZINC001591864564 1093900600 /nfs/dbraw/zinc/90/06/00/1093900600.db2.gz HPPGIMMNKSWGDL-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1cc(C#N)nc(Sc2cccc(-c3nnn[n-]3)c2Cl)n1 ZINC001591907035 1093912674 /nfs/dbraw/zinc/91/26/74/1093912674.db2.gz XAWQGJCIBMLWKJ-UHFFFAOYSA-N -1 3 329.776 2.641 20 30 EFEDHM Cc1cc(C#N)nc(Sc2cccc(-c3nn[n-]n3)c2Cl)n1 ZINC001591907035 1093912679 /nfs/dbraw/zinc/91/26/79/1093912679.db2.gz XAWQGJCIBMLWKJ-UHFFFAOYSA-N -1 3 329.776 2.641 20 30 EFEDHM Cc1cc(C#N)ccc1-c1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001591906440 1093912830 /nfs/dbraw/zinc/91/28/30/1093912830.db2.gz IVFKRLSYPKOQDX-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM Cc1cc(C#N)ccc1-c1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001591906440 1093912838 /nfs/dbraw/zinc/91/28/38/1093912838.db2.gz IVFKRLSYPKOQDX-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM Cc1cc(C#N)ccc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001591906494 1093913008 /nfs/dbraw/zinc/91/30/08/1093913008.db2.gz LOLPZDISIPHJTM-UHFFFAOYSA-N -1 3 341.378 2.959 20 30 EFEDHM Cc1cc(C#N)ccc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001591906494 1093913014 /nfs/dbraw/zinc/91/30/14/1093913014.db2.gz LOLPZDISIPHJTM-UHFFFAOYSA-N -1 3 341.378 2.959 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)c1 ZINC001591906327 1093913868 /nfs/dbraw/zinc/91/38/68/1093913868.db2.gz BFQDJAFQRZUMGY-UHFFFAOYSA-N -1 3 347.382 2.677 20 30 EFEDHM Cc1cc(C#N)cc(NC(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)c1 ZINC001591906327 1093913878 /nfs/dbraw/zinc/91/38/78/1093913878.db2.gz BFQDJAFQRZUMGY-UHFFFAOYSA-N -1 3 347.382 2.677 20 30 EFEDHM Cc1cc(C(=O)NCC2(C#N)CCCCC2)cc(C)c1-c1nnn[n-]1 ZINC001591923740 1093916756 /nfs/dbraw/zinc/91/67/56/1093916756.db2.gz JTTFWVLTHUNYBC-UHFFFAOYSA-N -1 3 338.415 2.687 20 30 EFEDHM Cc1cc(C(=O)NCC2(C#N)CCCCC2)cc(C)c1-c1nn[n-]n1 ZINC001591923740 1093916764 /nfs/dbraw/zinc/91/67/64/1093916764.db2.gz JTTFWVLTHUNYBC-UHFFFAOYSA-N -1 3 338.415 2.687 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc(C)c1C#N ZINC001591933719 1093918511 /nfs/dbraw/zinc/91/85/11/1093918511.db2.gz ZGPDNNYSFJUKGA-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc(C)c1C#N ZINC001591933719 1093918516 /nfs/dbraw/zinc/91/85/16/1093918516.db2.gz ZGPDNNYSFJUKGA-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1cc(CN=Nc2ncnc3ccsc32)ccc1-c1nnn[n-]1 ZINC001591958983 1093932731 /nfs/dbraw/zinc/93/27/31/1093932731.db2.gz WACOGIMNWUBVES-UHFFFAOYSA-N -1 3 336.384 2.626 20 30 EFEDHM Cc1cc(CN=Nc2ncnc3ccsc32)ccc1-c1nn[n-]n1 ZINC001591958983 1093932734 /nfs/dbraw/zinc/93/27/34/1093932734.db2.gz WACOGIMNWUBVES-UHFFFAOYSA-N -1 3 336.384 2.626 20 30 EFEDHM Cc1cc(C=C2c3ccc(C#N)cc3NC2=O)ccc1-c1nnn[n-]1 ZINC001591958763 1093933102 /nfs/dbraw/zinc/93/31/02/1093933102.db2.gz GZNXJABFZCLCHV-CHHVJCJISA-N -1 3 328.335 2.540 20 30 EFEDHM Cc1cc(C=C2c3ccc(C#N)cc3NC2=O)ccc1-c1nn[n-]n1 ZINC001591958763 1093933106 /nfs/dbraw/zinc/93/31/06/1093933106.db2.gz GZNXJABFZCLCHV-CHHVJCJISA-N -1 3 328.335 2.540 20 30 EFEDHM Cc1cc(C=CC(=O)c2cn3c(n2)CCCC3)ccc1-c1nnn[n-]1 ZINC001591959143 1093933802 /nfs/dbraw/zinc/93/38/02/1093933802.db2.gz MEZFEBANAKNKMO-VURMDHGXSA-N -1 3 334.383 2.604 20 30 EFEDHM Cc1cc(C=CC(=O)c2cn3c(n2)CCCC3)ccc1-c1nn[n-]n1 ZINC001591959143 1093933806 /nfs/dbraw/zinc/93/38/06/1093933806.db2.gz MEZFEBANAKNKMO-VURMDHGXSA-N -1 3 334.383 2.604 20 30 EFEDHM Cc1cc(COC(=O)CC#Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC001591971274 1093941149 /nfs/dbraw/zinc/94/11/49/1093941149.db2.gz CMQGKKMPYVTIJE-UHFFFAOYSA-N -1 3 332.363 2.660 20 30 EFEDHM Cc1cc(COC(=O)CC#Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC001591971274 1093941152 /nfs/dbraw/zinc/94/11/52/1093941152.db2.gz CMQGKKMPYVTIJE-UHFFFAOYSA-N -1 3 332.363 2.660 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)c(NCc2ccc(OCC#N)cc2)c1 ZINC001591978862 1093943582 /nfs/dbraw/zinc/94/35/82/1093943582.db2.gz QHZIMJWLTJOGCW-UHFFFAOYSA-N -1 3 338.346 2.829 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)c(NCc2ccc(OCC#N)cc2)c1 ZINC001591978862 1093943583 /nfs/dbraw/zinc/94/35/83/1093943583.db2.gz QHZIMJWLTJOGCW-UHFFFAOYSA-N -1 3 338.346 2.829 20 30 EFEDHM Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2C)cc1-c1nnn[n-]1 ZINC001591985907 1093947559 /nfs/dbraw/zinc/94/75/59/1093947559.db2.gz FDDWVHUALRFBBB-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1ccc(C(=O)Nc2cc(C#N)c(F)cc2C)cc1-c1nn[n-]n1 ZINC001591985907 1093947562 /nfs/dbraw/zinc/94/75/62/1093947562.db2.gz FDDWVHUALRFBBB-UHFFFAOYSA-N -1 3 336.330 2.747 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)O[C@H](C#N)C1CCCCC1 ZINC001592098843 1093979657 /nfs/dbraw/zinc/97/96/57/1093979657.db2.gz DDDYCJORCOGFJW-OAHLLOKOSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)O[C@H](C#N)C1CCCCC1 ZINC001592098843 1093979660 /nfs/dbraw/zinc/97/96/60/1093979660.db2.gz DDDYCJORCOGFJW-OAHLLOKOSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC001592106858 1093983470 /nfs/dbraw/zinc/98/34/70/1093983470.db2.gz DQPHLNWGEYZYPM-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)c(Cl)c1 ZINC001592106858 1093983474 /nfs/dbraw/zinc/98/34/74/1093983474.db2.gz DQPHLNWGEYZYPM-UHFFFAOYSA-N -1 3 338.758 2.953 20 30 EFEDHM Cc1sc(NC(=O)c2cc(C#N)ccc2C)c(-c2nnn[n-]2)c1C ZINC001592113250 1093984468 /nfs/dbraw/zinc/98/44/68/1093984468.db2.gz KNZUSEMHIDTKPI-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1sc(NC(=O)c2cc(C#N)ccc2C)c(-c2nn[n-]n2)c1C ZINC001592113250 1093984469 /nfs/dbraw/zinc/98/44/69/1093984469.db2.gz KNZUSEMHIDTKPI-UHFFFAOYSA-N -1 3 338.396 2.977 20 30 EFEDHM Cc1ccc(Br)c(N2CC[C@](C)(C#N)C2)c1-c1nnn[n-]1 ZINC001592111877 1093984757 /nfs/dbraw/zinc/98/47/57/1093984757.db2.gz DLEBYBVFIOVEDN-CQSZACIVSA-N -1 3 347.220 2.678 20 30 EFEDHM Cc1ccc(Br)c(N2CC[C@](C)(C#N)C2)c1-c1nn[n-]n1 ZINC001592111877 1093984762 /nfs/dbraw/zinc/98/47/62/1093984762.db2.gz DLEBYBVFIOVEDN-CQSZACIVSA-N -1 3 347.220 2.678 20 30 EFEDHM Cc1ccc(COC(=O)[C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592167506 1094011942 /nfs/dbraw/zinc/01/19/42/1094011942.db2.gz KOTYFKMBGXGHSW-QGZVFWFLSA-N -1 3 347.378 2.601 20 30 EFEDHM Cc1ccc(COC(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592167506 1094011946 /nfs/dbraw/zinc/01/19/46/1094011946.db2.gz KOTYFKMBGXGHSW-QGZVFWFLSA-N -1 3 347.378 2.601 20 30 EFEDHM Cc1ccc(CNc2nc(C#N)c(Cl)s2)cc1-c1nnn[n-]1 ZINC001592167935 1094012225 /nfs/dbraw/zinc/01/22/25/1094012225.db2.gz WWWCBSUJHHGMIX-UHFFFAOYSA-N -1 3 331.792 2.769 20 30 EFEDHM Cc1ccc(CNc2nc(C#N)c(Cl)s2)cc1-c1nn[n-]n1 ZINC001592167935 1094012230 /nfs/dbraw/zinc/01/22/30/1094012230.db2.gz WWWCBSUJHHGMIX-UHFFFAOYSA-N -1 3 331.792 2.769 20 30 EFEDHM Cc1ccc2c(c1)nc(CNc1c(C#N)cccc1-c1nnn[n-]1)n2C ZINC001592205379 1094031107 /nfs/dbraw/zinc/03/11/07/1094031107.db2.gz RJCIEWMLYQQNMP-UHFFFAOYSA-N -1 3 344.382 2.546 20 30 EFEDHM Cc1ccc2c(c1)nc(CNc1c(C#N)cccc1-c1nn[n-]n1)n2C ZINC001592205379 1094031114 /nfs/dbraw/zinc/03/11/14/1094031114.db2.gz RJCIEWMLYQQNMP-UHFFFAOYSA-N -1 3 344.382 2.546 20 30 EFEDHM Cc1cccc2ncc(C=CC(=O)c3ccccc3-c3nnn[n-]3)n21 ZINC001592245816 1094047025 /nfs/dbraw/zinc/04/70/25/1094047025.db2.gz AQXXIKYKZWZUIA-KTKRTIGZSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1cccc2ncc(C=CC(=O)c3ccccc3-c3nn[n-]n3)n21 ZINC001592245816 1094047031 /nfs/dbraw/zinc/04/70/31/1094047031.db2.gz AQXXIKYKZWZUIA-KTKRTIGZSA-N -1 3 330.351 2.719 20 30 EFEDHM Cc1ccccc1O[C@@H](C)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592258639 1094054606 /nfs/dbraw/zinc/05/46/06/1094054606.db2.gz BKEVVEJIYSENIN-ZDUSSCGKSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1ccccc1O[C@@H](C)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592258639 1094054613 /nfs/dbraw/zinc/05/46/13/1094054613.db2.gz BKEVVEJIYSENIN-ZDUSSCGKSA-N -1 3 334.383 2.926 20 30 EFEDHM Cc1ccnc(NN=Cc2ccc(F)c(-c3nnn[n-]3)c2Cl)c1 ZINC001592275683 1094062393 /nfs/dbraw/zinc/06/23/93/1094062393.db2.gz UEBYCXDPXUPDPW-UHFFFAOYSA-N -1 3 331.742 2.809 20 30 EFEDHM Cc1cn(Cc2ccc(Br)cc2-c2nnn[n-]2)cc1C#N ZINC001592287473 1094066761 /nfs/dbraw/zinc/06/67/61/1094066761.db2.gz NSXBDKUIKVVAEZ-UHFFFAOYSA-N -1 3 343.188 2.659 20 30 EFEDHM Cc1cn(Cc2ccc(Br)cc2-c2nn[n-]n2)cc1C#N ZINC001592287473 1094066766 /nfs/dbraw/zinc/06/67/66/1094066766.db2.gz NSXBDKUIKVVAEZ-UHFFFAOYSA-N -1 3 343.188 2.659 20 30 EFEDHM Cc1csc(NC(=O)c2c(F)cc(C#N)cc2F)c1-c1nnn[n-]1 ZINC001592321304 1094078140 /nfs/dbraw/zinc/07/81/40/1094078140.db2.gz OYNSQIIMHHVKHR-UHFFFAOYSA-N -1 3 346.322 2.639 20 30 EFEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(C#N)cc2F)n1 ZINC001592353168 1094084588 /nfs/dbraw/zinc/08/45/88/1094084588.db2.gz GVGMBZFFMPGVOI-UHFFFAOYSA-N -1 3 341.375 2.577 20 30 EFEDHM Cc1nn(C(C)C)cc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001592429827 1094104857 /nfs/dbraw/zinc/10/48/57/1094104857.db2.gz VCJMPKZFZLBSTF-VGOFMYFVSA-N -1 3 334.383 2.775 20 30 EFEDHM Cc1nn(C(C)C)cc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001592429827 1094104858 /nfs/dbraw/zinc/10/48/58/1094104858.db2.gz VCJMPKZFZLBSTF-VGOFMYFVSA-N -1 3 334.383 2.775 20 30 EFEDHM Cc1sc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)c(C#N)c1C ZINC001592521072 1094119274 /nfs/dbraw/zinc/11/92/74/1094119274.db2.gz OGXJMRYEWLUOAJ-UHFFFAOYSA-N -1 3 342.359 2.808 20 30 EFEDHM Cc1sc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)c(C#N)c1C ZINC001592521072 1094119277 /nfs/dbraw/zinc/11/92/77/1094119277.db2.gz OGXJMRYEWLUOAJ-UHFFFAOYSA-N -1 3 342.359 2.808 20 30 EFEDHM Clc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)cc1)CO2 ZINC001592533496 1094128259 /nfs/dbraw/zinc/12/82/59/1094128259.db2.gz OLIMMKNIRKBGSM-UHFFFAOYSA-N -1 3 326.747 2.729 20 30 EFEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C2CC2)n1 ZINC001592567027 1094134337 /nfs/dbraw/zinc/13/43/37/1094134337.db2.gz NUBHQYWETOPRNL-UKTHLTGXSA-N -1 3 346.394 2.690 20 30 EFEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C2CC2)n1 ZINC001592567027 1094134340 /nfs/dbraw/zinc/13/43/40/1094134340.db2.gz NUBHQYWETOPRNL-UKTHLTGXSA-N -1 3 346.394 2.690 20 30 EFEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NCC1CCOCC1 ZINC001592619570 1094141597 /nfs/dbraw/zinc/14/15/97/1094141597.db2.gz GNSKNVXDKIAVGI-UHFFFAOYSA-N -1 3 340.309 2.710 20 30 EFEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NCC1CCOCC1 ZINC001592619570 1094141600 /nfs/dbraw/zinc/14/16/00/1094141600.db2.gz GNSKNVXDKIAVGI-UHFFFAOYSA-N -1 3 340.309 2.710 20 30 EFEDHM Fc1cc(-c2nnn[n-]2)cc(F)c1C=NNCc1ccc(Cl)cc1 ZINC001592634913 1094152115 /nfs/dbraw/zinc/15/21/15/1094152115.db2.gz LBJMUMIBERDNEH-UHFFFAOYSA-N -1 3 348.744 2.922 20 30 EFEDHM Fc1cc(-c2nn[n-]n2)cc(F)c1C=NNCc1ccc(Cl)cc1 ZINC001592634913 1094152118 /nfs/dbraw/zinc/15/21/18/1094152118.db2.gz LBJMUMIBERDNEH-UHFFFAOYSA-N -1 3 348.744 2.922 20 30 EFEDHM Fc1ccc(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)c(F)c1 ZINC001592652600 1094166100 /nfs/dbraw/zinc/16/61/00/1094166100.db2.gz NAXHALRHMTZCDY-UHFFFAOYSA-N -1 3 326.310 2.907 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592669678 1094172782 /nfs/dbraw/zinc/17/27/82/1094172782.db2.gz RATFUTYAYRVYPF-ROUUACIJSA-N -1 3 346.394 2.505 20 30 EFEDHM N#C[C@@H](c1ccccc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592669678 1094172785 /nfs/dbraw/zinc/17/27/85/1094172785.db2.gz RATFUTYAYRVYPF-ROUUACIJSA-N -1 3 346.394 2.505 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592669676 1094172787 /nfs/dbraw/zinc/17/27/87/1094172787.db2.gz RATFUTYAYRVYPF-QZTJIDSGSA-N -1 3 346.394 2.505 20 30 EFEDHM N#C[C@H](c1ccccc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592669676 1094172789 /nfs/dbraw/zinc/17/27/89/1094172789.db2.gz RATFUTYAYRVYPF-QZTJIDSGSA-N -1 3 346.394 2.505 20 30 EFEDHM N#CC1(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CCCCC1 ZINC001592667467 1094172864 /nfs/dbraw/zinc/17/28/64/1094172864.db2.gz WRYBJZYMAOLNFV-UHFFFAOYSA-N -1 3 343.362 2.913 20 30 EFEDHM N#CC1(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CCCCC1 ZINC001592667467 1094172867 /nfs/dbraw/zinc/17/28/67/1094172867.db2.gz WRYBJZYMAOLNFV-UHFFFAOYSA-N -1 3 343.362 2.913 20 30 EFEDHM N#CC1(CNc2nc(Br)ccc2-c2nnn[n-]2)CCCC1 ZINC001592670021 1094173114 /nfs/dbraw/zinc/17/31/14/1094173114.db2.gz QGFZOLJPNNYWFI-UHFFFAOYSA-N -1 3 348.208 2.520 20 30 EFEDHM N#CC1(CNc2nc(Br)ccc2-c2nn[n-]n2)CCCC1 ZINC001592670021 1094173119 /nfs/dbraw/zinc/17/31/19/1094173119.db2.gz QGFZOLJPNNYWFI-UHFFFAOYSA-N -1 3 348.208 2.520 20 30 EFEDHM N#CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Cl)CC2(CC2)C1 ZINC001592667095 1094173153 /nfs/dbraw/zinc/17/31/53/1094173153.db2.gz OZINSASVGPSNOY-UHFFFAOYSA-N -1 3 343.774 2.647 20 30 EFEDHM N#CC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2Cl)CC2(CC2)C1 ZINC001592667095 1094173158 /nfs/dbraw/zinc/17/31/58/1094173158.db2.gz OZINSASVGPSNOY-UHFFFAOYSA-N -1 3 343.774 2.647 20 30 EFEDHM N#C[C@@H](OC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001592669658 1094173170 /nfs/dbraw/zinc/17/31/70/1094173170.db2.gz QVLGVLAXHBKENB-CQSZACIVSA-N -1 3 329.335 2.635 20 30 EFEDHM N#C[C@@H](OC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001592669658 1094173171 /nfs/dbraw/zinc/17/31/71/1094173171.db2.gz QVLGVLAXHBKENB-CQSZACIVSA-N -1 3 329.335 2.635 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC12CCCC2 ZINC001592666674 1094173435 /nfs/dbraw/zinc/17/34/35/1094173435.db2.gz IZEWMJIOCZWOAE-MRXNPFEDSA-N -1 3 342.790 2.933 20 30 EFEDHM N#C[C@@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC12CCCC2 ZINC001592666674 1094173439 /nfs/dbraw/zinc/17/34/39/1094173439.db2.gz IZEWMJIOCZWOAE-MRXNPFEDSA-N -1 3 342.790 2.933 20 30 EFEDHM N#CC1(CCCNc2cc(F)cc(-c3nnn[n-]3)c2)CCOCC1 ZINC001592668895 1094173783 /nfs/dbraw/zinc/17/37/83/1094173783.db2.gz QXVASKVUCRDAHP-UHFFFAOYSA-N -1 3 330.367 2.518 20 30 EFEDHM N#CC1(CCCNc2cc(F)cc(-c3nn[n-]n3)c2)CCOCC1 ZINC001592668895 1094173784 /nfs/dbraw/zinc/17/37/84/1094173784.db2.gz QXVASKVUCRDAHP-UHFFFAOYSA-N -1 3 330.367 2.518 20 30 EFEDHM N#CC1(CC(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)CCCCC1 ZINC001592666636 1094173835 /nfs/dbraw/zinc/17/38/35/1094173835.db2.gz IDYRYBKEFFOCKV-UHFFFAOYSA-N -1 3 336.399 2.573 20 30 EFEDHM N#CC1(CC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)CCCCC1 ZINC001592666636 1094173836 /nfs/dbraw/zinc/17/38/36/1094173836.db2.gz IDYRYBKEFFOCKV-UHFFFAOYSA-N -1 3 336.399 2.573 20 30 EFEDHM N#CCCCOc1cccnc1NCc1cccc(-c2nnn[n-]2)c1 ZINC001592676617 1094174258 /nfs/dbraw/zinc/17/42/58/1094174258.db2.gz YYHCJKAFLFYYRO-UHFFFAOYSA-N -1 3 335.371 2.556 20 30 EFEDHM N#CCCCOc1cccnc1NCc1cccc(-c2nn[n-]n2)c1 ZINC001592676617 1094174265 /nfs/dbraw/zinc/17/42/65/1094174265.db2.gz YYHCJKAFLFYYRO-UHFFFAOYSA-N -1 3 335.371 2.556 20 30 EFEDHM N#CC1(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)CCC1 ZINC001592670762 1094174602 /nfs/dbraw/zinc/17/46/02/1094174602.db2.gz NJKWUFYVXCPZIY-UHFFFAOYSA-N -1 3 326.429 2.926 20 30 EFEDHM N#CC1(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)CCC1 ZINC001592670762 1094174606 /nfs/dbraw/zinc/17/46/06/1094174606.db2.gz NJKWUFYVXCPZIY-UHFFFAOYSA-N -1 3 326.429 2.926 20 30 EFEDHM N#CCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC001592675109 1094174684 /nfs/dbraw/zinc/17/46/84/1094174684.db2.gz QVTWQDOCTAXIJG-UHFFFAOYSA-N -1 3 336.355 2.687 20 30 EFEDHM N#CCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC001592675109 1094174686 /nfs/dbraw/zinc/17/46/86/1094174686.db2.gz QVTWQDOCTAXIJG-UHFFFAOYSA-N -1 3 336.355 2.687 20 30 EFEDHM N#C[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001592673364 1094174765 /nfs/dbraw/zinc/17/47/65/1094174765.db2.gz YBHYFBDTTQQRGG-LLVKDONJSA-N -1 3 337.387 2.512 20 30 EFEDHM N#C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001592673364 1094174768 /nfs/dbraw/zinc/17/47/68/1094174768.db2.gz YBHYFBDTTQQRGG-LLVKDONJSA-N -1 3 337.387 2.512 20 30 EFEDHM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592681231 1094176106 /nfs/dbraw/zinc/17/61/06/1094176106.db2.gz MPFNDXPPOWQCED-MLGOLLRUSA-N -1 3 346.350 2.757 20 30 EFEDHM N#C[C@H]1C[C@H]1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001592681231 1094176110 /nfs/dbraw/zinc/17/61/10/1094176110.db2.gz MPFNDXPPOWQCED-MLGOLLRUSA-N -1 3 346.350 2.757 20 30 EFEDHM N#CCc1cccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC001592679838 1094176515 /nfs/dbraw/zinc/17/65/15/1094176515.db2.gz DJJOIOIDCKENPU-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#CCc1cccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC001592679838 1094176517 /nfs/dbraw/zinc/17/65/17/1094176517.db2.gz DJJOIOIDCKENPU-UHFFFAOYSA-N -1 3 338.758 2.838 20 30 EFEDHM N#Cc1c(CNc2ccc(F)c(-c3nnn[n-]3)c2)cn2ccccc12 ZINC001592684231 1094176593 /nfs/dbraw/zinc/17/65/93/1094176593.db2.gz JAVNCETZMAUUCO-UHFFFAOYSA-N -1 3 333.330 2.742 20 30 EFEDHM N#Cc1c(CNc2ccc(F)c(-c3nn[n-]n3)c2)cn2ccccc12 ZINC001592684231 1094176594 /nfs/dbraw/zinc/17/65/94/1094176594.db2.gz JAVNCETZMAUUCO-UHFFFAOYSA-N -1 3 333.330 2.742 20 30 EFEDHM N#Cc1c2c(nc(N3CC=CCC3)c1-c1nnn[n-]1)CCCCCC2 ZINC001592685060 1094176718 /nfs/dbraw/zinc/17/67/18/1094176718.db2.gz ICRLCFSRNSHIAY-UHFFFAOYSA-N -1 3 335.415 2.559 20 30 EFEDHM N#Cc1c2c(nc(N3CC=CCC3)c1-c1nn[n-]n1)CCCCCC2 ZINC001592685060 1094176719 /nfs/dbraw/zinc/17/67/19/1094176719.db2.gz ICRLCFSRNSHIAY-UHFFFAOYSA-N -1 3 335.415 2.559 20 30 EFEDHM N#Cc1cc(F)cc(Cl)c1OCc1cc(-c2nnn[n-]2)ccn1 ZINC001592689590 1094177341 /nfs/dbraw/zinc/17/73/41/1094177341.db2.gz MRRRRTLGSPGTDO-UHFFFAOYSA-N -1 3 330.710 2.505 20 30 EFEDHM N#Cc1cc(F)cc(Cl)c1OCc1cc(-c2nn[n-]n2)ccn1 ZINC001592689590 1094177342 /nfs/dbraw/zinc/17/73/42/1094177342.db2.gz MRRRRTLGSPGTDO-UHFFFAOYSA-N -1 3 330.710 2.505 20 30 EFEDHM N#Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1-c1nnn[n-]1 ZINC001592689287 1094177426 /nfs/dbraw/zinc/17/74/26/1094177426.db2.gz RCYZWLFEXDIXFX-UHFFFAOYSA-N -1 3 335.371 2.541 20 30 EFEDHM N#Cc1cc(NC(=O)CC2(C#N)CCCCC2)ccc1-c1nn[n-]n1 ZINC001592689287 1094177428 /nfs/dbraw/zinc/17/74/28/1094177428.db2.gz RCYZWLFEXDIXFX-UHFFFAOYSA-N -1 3 335.371 2.541 20 30 EFEDHM N#Cc1cc(F)cc(OCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC001592689462 1094177522 /nfs/dbraw/zinc/17/75/22/1094177522.db2.gz FUKZDHGCONKVHN-UHFFFAOYSA-N -1 3 334.314 2.709 20 30 EFEDHM N#Cc1cc(F)cc(OCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC001592689462 1094177524 /nfs/dbraw/zinc/17/75/24/1094177524.db2.gz FUKZDHGCONKVHN-UHFFFAOYSA-N -1 3 334.314 2.709 20 30 EFEDHM N#Cc1cc(-c2nnn[n-]2)c(SC/C=C/c2ccccc2)nc1N ZINC001592687175 1094177557 /nfs/dbraw/zinc/17/75/57/1094177557.db2.gz OHOMMHXQIQMMNN-QPJJXVBHSA-N -1 3 335.396 2.521 20 30 EFEDHM N#Cc1cc(-c2nn[n-]n2)c(SC/C=C/c2ccccc2)nc1N ZINC001592687175 1094177559 /nfs/dbraw/zinc/17/75/59/1094177559.db2.gz OHOMMHXQIQMMNN-QPJJXVBHSA-N -1 3 335.396 2.521 20 30 EFEDHM N#Cc1cc(Cl)cc(CN2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC001592688193 1094177795 /nfs/dbraw/zinc/17/77/95/1094177795.db2.gz HKISICIZXTVOBJ-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cc(Cl)cc(CN2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC001592688193 1094177798 /nfs/dbraw/zinc/17/77/98/1094177798.db2.gz HKISICIZXTVOBJ-UHFFFAOYSA-N -1 3 336.786 2.954 20 30 EFEDHM N#Cc1cc(C(=O)N(c2ccccc2-c2nnn[n-]2)C2CCC2)co1 ZINC001592686749 1094177933 /nfs/dbraw/zinc/17/79/33/1094177933.db2.gz HOLQDZUMDDSMOC-UHFFFAOYSA-N -1 3 334.339 2.531 20 30 EFEDHM N#Cc1cc(C(=O)N(c2ccccc2-c2nn[n-]n2)C2CCC2)co1 ZINC001592686749 1094177939 /nfs/dbraw/zinc/17/79/39/1094177939.db2.gz HOLQDZUMDDSMOC-UHFFFAOYSA-N -1 3 334.339 2.531 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2ccc(Cl)s2)ccc1-c1nnn[n-]1 ZINC001592689284 1094178032 /nfs/dbraw/zinc/17/80/32/1094178032.db2.gz RAIFRNUIULDKCO-UHFFFAOYSA-N -1 3 344.787 2.634 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2ccc(Cl)s2)ccc1-c1nn[n-]n1 ZINC001592689284 1094178035 /nfs/dbraw/zinc/17/80/35/1094178035.db2.gz RAIFRNUIULDKCO-UHFFFAOYSA-N -1 3 344.787 2.634 20 30 EFEDHM N#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC001592690942 1094178798 /nfs/dbraw/zinc/17/87/98/1094178798.db2.gz RUMGFESPVKOHLV-QGZVFWFLSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc(C(=O)N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC001592690942 1094178802 /nfs/dbraw/zinc/17/88/02/1094178802.db2.gz RUMGFESPVKOHLV-QGZVFWFLSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1ccc(CSc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC001592694143 1094178914 /nfs/dbraw/zinc/17/89/14/1094178914.db2.gz MMHMVTDMPKPQSM-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1ccc(CSc2cccc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC001592694143 1094178918 /nfs/dbraw/zinc/17/89/18/1094178918.db2.gz MMHMVTDMPKPQSM-UHFFFAOYSA-N -1 3 338.352 2.939 20 30 EFEDHM N#Cc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1Cl ZINC001592693356 1094179177 /nfs/dbraw/zinc/17/91/77/1094179177.db2.gz XDZSVWXHXCERPV-UHFFFAOYSA-N -1 3 335.758 2.876 20 30 EFEDHM N#Cc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1Cl ZINC001592693356 1094179181 /nfs/dbraw/zinc/17/91/81/1094179181.db2.gz XDZSVWXHXCERPV-UHFFFAOYSA-N -1 3 335.758 2.876 20 30 EFEDHM N#Cc1ccc(COC(=O)C2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC001592693899 1094179246 /nfs/dbraw/zinc/17/92/46/1094179246.db2.gz DMTSUDLLWXHBOO-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM N#Cc1ccc(COC(=O)C2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC001592693899 1094179248 /nfs/dbraw/zinc/17/92/48/1094179248.db2.gz DMTSUDLLWXHBOO-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)o1 ZINC001592691184 1094179381 /nfs/dbraw/zinc/17/93/81/1094179381.db2.gz MPJOBKMLZQNAHI-UHFFFAOYSA-N -1 3 340.368 2.524 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)o1 ZINC001592691184 1094179386 /nfs/dbraw/zinc/17/93/86/1094179386.db2.gz MPJOBKMLZQNAHI-UHFFFAOYSA-N -1 3 340.368 2.524 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(Nc2ccccc2)CC1 ZINC001592698507 1094180382 /nfs/dbraw/zinc/18/03/82/1094180382.db2.gz BUZALLFITSFOMH-UHFFFAOYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(Nc2ccccc2)CC1 ZINC001592698507 1094180386 /nfs/dbraw/zinc/18/03/86/1094180386.db2.gz BUZALLFITSFOMH-UHFFFAOYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592697867 1094180585 /nfs/dbraw/zinc/18/05/85/1094180585.db2.gz WEMBLYUSSVOGNZ-CQSZACIVSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592697867 1094180589 /nfs/dbraw/zinc/18/05/89/1094180589.db2.gz WEMBLYUSSVOGNZ-CQSZACIVSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)c1 ZINC001592700666 1094181316 /nfs/dbraw/zinc/18/13/16/1094181316.db2.gz OOWJPIMREQSKKE-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)c1 ZINC001592700666 1094181322 /nfs/dbraw/zinc/18/13/22/1094181322.db2.gz OOWJPIMREQSKKE-UHFFFAOYSA-N -1 3 330.351 2.868 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1cc2ccccc2[nH]1 ZINC001592699520 1094181460 /nfs/dbraw/zinc/18/14/60/1094181460.db2.gz CTAQMEZAPORLPZ-UHFFFAOYSA-N -1 3 329.367 2.874 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1cc2ccccc2[nH]1 ZINC001592699520 1094181462 /nfs/dbraw/zinc/18/14/62/1094181462.db2.gz CTAQMEZAPORLPZ-UHFFFAOYSA-N -1 3 329.367 2.874 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001592699912 1094181509 /nfs/dbraw/zinc/18/15/09/1094181509.db2.gz RMHXVDFMYXPGHN-DZGCQCFKSA-N -1 3 338.321 2.985 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001592699912 1094181512 /nfs/dbraw/zinc/18/15/12/1094181512.db2.gz RMHXVDFMYXPGHN-DZGCQCFKSA-N -1 3 338.321 2.985 20 30 EFEDHM N#Cc1cccc(C(=O)N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001592700772 1094181643 /nfs/dbraw/zinc/18/16/43/1094181643.db2.gz UWUYHWRMTNPIMX-KRWDZBQOSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1cccc(C(=O)N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001592700772 1094181646 /nfs/dbraw/zinc/18/16/46/1094181646.db2.gz UWUYHWRMTNPIMX-KRWDZBQOSA-N -1 3 344.378 2.546 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCSC2(CCC2)C1 ZINC001592699073 1094181660 /nfs/dbraw/zinc/18/16/60/1094181660.db2.gz PCVITYOTCOJSMQ-GFCCVEGCSA-N -1 3 326.429 2.969 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCSC2(CCC2)C1 ZINC001592699073 1094181661 /nfs/dbraw/zinc/18/16/61/1094181661.db2.gz PCVITYOTCOJSMQ-GFCCVEGCSA-N -1 3 326.429 2.969 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2cc(F)c(F)cc2C1 ZINC001592699337 1094181681 /nfs/dbraw/zinc/18/16/81/1094181681.db2.gz WJPRBVJCUHITPD-UHFFFAOYSA-N -1 3 338.321 2.579 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2cc(F)c(F)cc2C1 ZINC001592699337 1094181682 /nfs/dbraw/zinc/18/16/82/1094181682.db2.gz WJPRBVJCUHITPD-UHFFFAOYSA-N -1 3 338.321 2.579 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc2cccnc2c1O ZINC001592699465 1094181971 /nfs/dbraw/zinc/18/19/71/1094181971.db2.gz ALXPHHQQEDRZOA-UHFFFAOYSA-N -1 3 343.350 2.604 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(c2ccccn2)CC1 ZINC001592699442 1094182275 /nfs/dbraw/zinc/18/22/75/1094182275.db2.gz ZPCAJVIYJPZRMU-UHFFFAOYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(c2ccccn2)CC1 ZINC001592699442 1094182277 /nfs/dbraw/zinc/18/22/77/1094182277.db2.gz ZPCAJVIYJPZRMU-UHFFFAOYSA-N -1 3 331.383 2.517 20 30 EFEDHM N#Cc1ccccc1Oc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001592702799 1094182972 /nfs/dbraw/zinc/18/29/72/1094182972.db2.gz BEZMJMDIWNWHSL-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1ccccc1Oc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001592702799 1094182977 /nfs/dbraw/zinc/18/29/77/1094182977.db2.gz BEZMJMDIWNWHSL-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1cccc2c1CCCN2CCc1ccc(-c2nnn[n-]2)cc1 ZINC001592702984 1094183433 /nfs/dbraw/zinc/18/34/33/1094183433.db2.gz CFGHKAVXWNKFSC-UHFFFAOYSA-N -1 3 330.395 2.734 20 30 EFEDHM N#Cc1cccc2c1CCCN2CCc1ccc(-c2nn[n-]n2)cc1 ZINC001592702984 1094183440 /nfs/dbraw/zinc/18/34/40/1094183440.db2.gz CFGHKAVXWNKFSC-UHFFFAOYSA-N -1 3 330.395 2.734 20 30 EFEDHM N#Cc1ccccc1COC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592701610 1094183616 /nfs/dbraw/zinc/18/36/16/1094183616.db2.gz MAIMRNKQMZSMNY-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM N#Cc1ccccc1COC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592701610 1094183620 /nfs/dbraw/zinc/18/36/20/1094183620.db2.gz MAIMRNKQMZSMNY-UHFFFAOYSA-N -1 3 345.362 2.513 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccnc(Cl)c1 ZINC001592793325 1094187725 /nfs/dbraw/zinc/18/77/25/1094187725.db2.gz ADNFGDHYOTYGQM-SNAWJCMRSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccnc(Cl)c1 ZINC001592793325 1094187727 /nfs/dbraw/zinc/18/77/27/1094187727.db2.gz ADNFGDHYOTYGQM-SNAWJCMRSA-N -1 3 329.722 2.950 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cccn2)cc1 ZINC001592793408 1094187746 /nfs/dbraw/zinc/18/77/46/1094187746.db2.gz BXXNYLCBUJBMDK-YHYXMXQVSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC001592793408 1094187747 /nfs/dbraw/zinc/18/77/47/1094187747.db2.gz BXXNYLCBUJBMDK-YHYXMXQVSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1-c1nnn[n-]1 ZINC001592792711 1094187833 /nfs/dbraw/zinc/18/78/33/1094187833.db2.gz SCMMFUWLSSQJJN-SOFGYWHQSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1-c1nn[n-]n1 ZINC001592792711 1094187834 /nfs/dbraw/zinc/18/78/34/1094187834.db2.gz SCMMFUWLSSQJJN-SOFGYWHQSA-N -1 3 339.286 2.810 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC001592794096 1094187968 /nfs/dbraw/zinc/18/79/68/1094187968.db2.gz JTNUIXCQNGZLNT-XQRVVYSFSA-N -1 3 338.298 2.631 20 30 EFEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC001592794096 1094187970 /nfs/dbraw/zinc/18/79/70/1094187970.db2.gz JTNUIXCQNGZLNT-XQRVVYSFSA-N -1 3 338.298 2.631 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cnn(CC2CCC2)c1 ZINC001592799029 1094191071 /nfs/dbraw/zinc/19/10/71/1094191071.db2.gz HWRFJTZBYILYND-CMDGGOBGSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cnn(CC2CCC2)c1 ZINC001592799029 1094191072 /nfs/dbraw/zinc/19/10/72/1094191072.db2.gz HWRFJTZBYILYND-CMDGGOBGSA-N -1 3 334.383 2.759 20 30 EFEDHM O=C(CC#Cc1ccccc1)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592803210 1094192159 /nfs/dbraw/zinc/19/21/59/1094192159.db2.gz KQCQCPVJVBETAK-UHFFFAOYSA-N -1 3 343.390 2.588 20 30 EFEDHM O=C(CC#Cc1ccccc1)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592803210 1094192161 /nfs/dbraw/zinc/19/21/61/1094192161.db2.gz KQCQCPVJVBETAK-UHFFFAOYSA-N -1 3 343.390 2.588 20 30 EFEDHM O=C(C=Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592804406 1094192537 /nfs/dbraw/zinc/19/25/37/1094192537.db2.gz YKOXBJSIXFIBET-WDZFZDKYSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592804406 1094192540 /nfs/dbraw/zinc/19/25/40/1094192540.db2.gz YKOXBJSIXFIBET-WDZFZDKYSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C1c2cc([N+](=O)[O-])ccc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593376431 1094301387 /nfs/dbraw/zinc/30/13/87/1094301387.db2.gz MFXPTTPSAOAFHC-ZROIWOOFSA-N -1 3 347.334 2.987 20 30 EFEDHM O=C1c2cc([N+](=O)[O-])ccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593376431 1094301396 /nfs/dbraw/zinc/30/13/96/1094301396.db2.gz MFXPTTPSAOAFHC-ZROIWOOFSA-N -1 3 347.334 2.987 20 30 EFEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Cc2nc(Cl)ccc21 ZINC001593376210 1094301755 /nfs/dbraw/zinc/30/17/55/1094301755.db2.gz CGQIXGIRZOEIBA-CLTKARDFSA-N -1 3 329.772 2.799 20 30 EFEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)Cc2nc(Cl)ccc21 ZINC001593376210 1094301766 /nfs/dbraw/zinc/30/17/66/1094301766.db2.gz CGQIXGIRZOEIBA-CLTKARDFSA-N -1 3 329.772 2.799 20 30 EFEDHM O=C1CC(=Cc2ccc(-c3nnn[n-]3)cc2F)C(=O)c2ccccc2N1 ZINC001593377920 1094302524 /nfs/dbraw/zinc/30/25/24/1094302524.db2.gz MOGFGRREPTUKFA-KPKJPENVSA-N -1 3 349.325 2.614 20 30 EFEDHM O=C1CC(=Cc2ccc(-c3nn[n-]n3)cc2F)C(=O)c2ccccc2N1 ZINC001593377920 1094302528 /nfs/dbraw/zinc/30/25/28/1094302528.db2.gz MOGFGRREPTUKFA-KPKJPENVSA-N -1 3 349.325 2.614 20 30 EFEDHM O=C1C(=Cc2cc(F)cc(F)c2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593376475 1094302781 /nfs/dbraw/zinc/30/27/81/1094302781.db2.gz PGSCNLBNMHUFGP-JYOAFUTRSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1C(=Cc2cc(F)cc(F)c2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593376475 1094302787 /nfs/dbraw/zinc/30/27/87/1094302787.db2.gz PGSCNLBNMHUFGP-JYOAFUTRSA-N -1 3 339.305 2.752 20 30 EFEDHM O=C1CC(=Cc2ccc(-c3nnn[n-]3)cc2F)C(=O)c2ccccc2N1 ZINC001593377919 1094303652 /nfs/dbraw/zinc/30/36/52/1094303652.db2.gz MOGFGRREPTUKFA-GHXNOFRVSA-N -1 3 349.325 2.614 20 30 EFEDHM O=C1CC(=Cc2ccc(-c3nn[n-]n3)cc2F)C(=O)c2ccccc2N1 ZINC001593377919 1094303662 /nfs/dbraw/zinc/30/36/62/1094303662.db2.gz MOGFGRREPTUKFA-GHXNOFRVSA-N -1 3 349.325 2.614 20 30 EFEDHM O=C1c2cc(F)ccc2OC1=Cc1cccc(F)c1-c1nnn[n-]1 ZINC001593379545 1094304355 /nfs/dbraw/zinc/30/43/55/1094304355.db2.gz HBLBIHCJLHSSGQ-AWNIVKPZSA-N -1 3 326.262 2.761 20 30 EFEDHM O=C1C(=Cc2ccc(Cl)nc2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593376510 1094304427 /nfs/dbraw/zinc/30/44/27/1094304427.db2.gz RLGBIGRFUJWWRJ-VZUCSPMQSA-N -1 3 338.758 2.523 20 30 EFEDHM O=C1C(=Cc2ccc(Cl)nc2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593376510 1094304433 /nfs/dbraw/zinc/30/44/33/1094304433.db2.gz RLGBIGRFUJWWRJ-VZUCSPMQSA-N -1 3 338.758 2.523 20 30 EFEDHM O=[N+]([O-])c1ccccc1N=NCCCc1ccc(-c2nnn[n-]2)cc1 ZINC001593487098 1094328952 /nfs/dbraw/zinc/32/89/52/1094328952.db2.gz TWCURTUMPSIMPQ-UHFFFAOYSA-N -1 3 337.343 2.805 20 30 EFEDHM O=[N+]([O-])c1ccccc1N=NCCCc1ccc(-c2nn[n-]n2)cc1 ZINC001593487098 1094328957 /nfs/dbraw/zinc/32/89/57/1094328957.db2.gz TWCURTUMPSIMPQ-UHFFFAOYSA-N -1 3 337.343 2.805 20 30 EFEDHM Cc1cc([C@H](NCc2ccc(OCC#N)cc2)C(=O)[O-])ccc1F ZINC001600148623 1094809653 /nfs/dbraw/zinc/80/96/53/1094809653.db2.gz JHLUMKCLPKNPBU-KRWDZBQOSA-N -1 3 328.343 2.952 20 30 EFEDHM Cc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)c(-c2ccnn2C)c1 ZINC001600412321 1095042849 /nfs/dbraw/zinc/04/28/49/1095042849.db2.gz DGULORYNTOVRFB-UHFFFAOYSA-N -1 3 338.411 2.586 20 30 EFEDHM N#Cc1cccc([N+](=O)[O-])c1CN1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC001601124498 1095528630 /nfs/dbraw/zinc/52/86/30/1095528630.db2.gz NTKINKXWAMUYEI-CXAGYDPISA-N -1 3 329.356 2.543 20 30 EFEDHM O=C([O-])C1([C@]2(O)CCCN(CC#Cc3cccc(Cl)c3)C2)CCC1 ZINC001601705982 1095854312 /nfs/dbraw/zinc/85/43/12/1095854312.db2.gz WPMLBMIYFFHZBU-IBGZPJMESA-N -1 3 347.842 2.773 20 30 EFEDHM C#C[C@@H](C)NCc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001602670914 1096345371 /nfs/dbraw/zinc/34/53/71/1096345371.db2.gz LNHOSHVJPNTMAV-GFCCVEGCSA-N -1 3 329.352 2.677 20 30 EFEDHM C#C[C@H](Nc1nnc(C)c(C)c1-c1nnn[n-]1)c1ccc(Cl)cc1 ZINC001602690941 1096351477 /nfs/dbraw/zinc/35/14/77/1096351477.db2.gz NABBLYBLLNTVQY-ZDUSSCGKSA-N -1 3 339.790 2.713 20 30 EFEDHM C#C[C@H](Nc1nnc(C)c(C)c1-c1nn[n-]n1)c1ccc(Cl)cc1 ZINC001602690941 1096351484 /nfs/dbraw/zinc/35/14/84/1096351484.db2.gz NABBLYBLLNTVQY-ZDUSSCGKSA-N -1 3 339.790 2.713 20 30 EFEDHM C#C[C@@H]1CCCCN1C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602691495 1096351795 /nfs/dbraw/zinc/35/17/95/1096351795.db2.gz YTAOVXZJLOPRTD-QGZVFWFLSA-N -1 3 349.438 2.693 20 30 EFEDHM C#C[C@@H]1CCCCN1C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602691495 1096351800 /nfs/dbraw/zinc/35/18/00/1096351800.db2.gz YTAOVXZJLOPRTD-QGZVFWFLSA-N -1 3 349.438 2.693 20 30 EFEDHM C#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001602689225 1096351922 /nfs/dbraw/zinc/35/19/22/1096351922.db2.gz PGQQSURPEPUDEV-OAHLLOKOSA-N -1 3 337.770 2.624 20 30 EFEDHM C#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001602689225 1096351929 /nfs/dbraw/zinc/35/19/29/1096351929.db2.gz PGQQSURPEPUDEV-OAHLLOKOSA-N -1 3 337.770 2.624 20 30 EFEDHM C#C[C@@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)c1ccc(F)cc1 ZINC001602689309 1096351994 /nfs/dbraw/zinc/35/19/94/1096351994.db2.gz QPCFSOABHPUANI-MRXNPFEDSA-N -1 3 349.369 2.727 20 30 EFEDHM C#C[C@@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)c1ccc(F)cc1 ZINC001602689309 1096351998 /nfs/dbraw/zinc/35/19/98/1096351998.db2.gz QPCFSOABHPUANI-MRXNPFEDSA-N -1 3 349.369 2.727 20 30 EFEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001602688982 1096352012 /nfs/dbraw/zinc/35/20/12/1096352012.db2.gz AHOAHOITYPRUNO-QGZVFWFLSA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001602688982 1096352016 /nfs/dbraw/zinc/35/20/16/1096352016.db2.gz AHOAHOITYPRUNO-QGZVFWFLSA-N -1 3 342.403 2.577 20 30 EFEDHM C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001602689864 1096352149 /nfs/dbraw/zinc/35/21/49/1096352149.db2.gz NLIVVHRYAOTZGF-LBPRGKRZSA-N -1 3 348.366 2.802 20 30 EFEDHM C#C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001602689864 1096352154 /nfs/dbraw/zinc/35/21/54/1096352154.db2.gz NLIVVHRYAOTZGF-LBPRGKRZSA-N -1 3 348.366 2.802 20 30 EFEDHM C#CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001602697795 1096353213 /nfs/dbraw/zinc/35/32/13/1096353213.db2.gz SHJKBQNUCVDONX-SWLSCSKDSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CC[C@@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001602697795 1096353220 /nfs/dbraw/zinc/35/32/20/1096353220.db2.gz SHJKBQNUCVDONX-SWLSCSKDSA-N -1 3 342.399 2.615 20 30 EFEDHM C#CC[C@@H](NCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC001602697227 1096353344 /nfs/dbraw/zinc/35/33/44/1096353344.db2.gz KWYHUBWXBTXOFM-MRXNPFEDSA-N -1 3 348.366 2.629 20 30 EFEDHM C#CC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC001602697227 1096353354 /nfs/dbraw/zinc/35/33/54/1096353354.db2.gz KWYHUBWXBTXOFM-MRXNPFEDSA-N -1 3 348.366 2.629 20 30 EFEDHM C#CCC1(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC001602699174 1096353452 /nfs/dbraw/zinc/35/34/52/1096353452.db2.gz DYIBKSNRYLKOIC-KHPPLWFESA-N -1 3 335.411 2.722 20 30 EFEDHM C#CCC1(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC001602699174 1096353458 /nfs/dbraw/zinc/35/34/58/1096353458.db2.gz DYIBKSNRYLKOIC-KHPPLWFESA-N -1 3 335.411 2.722 20 30 EFEDHM C#CCOc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001602732320 1096358334 /nfs/dbraw/zinc/35/83/34/1096358334.db2.gz WYUYKECEQBOVLJ-UHFFFAOYSA-N -1 3 337.358 2.938 20 30 EFEDHM C#CCOc1ccc(F)cc1NCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001602732320 1096358339 /nfs/dbraw/zinc/35/83/39/1096358339.db2.gz WYUYKECEQBOVLJ-UHFFFAOYSA-N -1 3 337.358 2.938 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)cc1 ZINC001602739693 1096359751 /nfs/dbraw/zinc/35/97/51/1096359751.db2.gz NFSCYQLOKWSGFF-UHFFFAOYSA-N -1 3 329.363 2.978 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)cc1 ZINC001602739693 1096359759 /nfs/dbraw/zinc/35/97/59/1096359759.db2.gz NFSCYQLOKWSGFF-UHFFFAOYSA-N -1 3 329.363 2.978 20 30 EFEDHM C(=NNC1CC1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001602745506 1096362167 /nfs/dbraw/zinc/36/21/67/1096362167.db2.gz IHENTHFTUSIXTC-UHFFFAOYSA-N -1 3 334.383 2.532 20 30 EFEDHM C(=NNC1CC1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001602745506 1096362172 /nfs/dbraw/zinc/36/21/72/1096362172.db2.gz IHENTHFTUSIXTC-UHFFFAOYSA-N -1 3 334.383 2.532 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)Nc1nc2cc(-c3nnn[n-]3)ccc2n1CC ZINC001602753380 1096363158 /nfs/dbraw/zinc/36/31/58/1096363158.db2.gz OXEINQOWKAMFSD-NSHDSACASA-N -1 3 339.403 2.777 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)Nc1nc2cc(-c3nn[n-]n3)ccc2n1CC ZINC001602753380 1096363168 /nfs/dbraw/zinc/36/31/68/1096363168.db2.gz OXEINQOWKAMFSD-NSHDSACASA-N -1 3 339.403 2.777 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC001602753091 1096363418 /nfs/dbraw/zinc/36/34/18/1096363418.db2.gz LNDNEJCHZZDFBJ-LBPRGKRZSA-N -1 3 337.387 2.593 20 30 EFEDHM C=C(C)[C@H](C)OC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602752572 1096364057 /nfs/dbraw/zinc/36/40/57/1096364057.db2.gz FAPVSKGEIDBYKS-SWLSCSKDSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C(C)[C@H](C)OC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602752572 1096364066 /nfs/dbraw/zinc/36/40/66/1096364066.db2.gz FAPVSKGEIDBYKS-SWLSCSKDSA-N -1 3 330.388 2.778 20 30 EFEDHM C=C(C)CCC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001602759583 1096364838 /nfs/dbraw/zinc/36/48/38/1096364838.db2.gz LEGAYPVUWDXUKK-CYBMUJFWSA-N -1 3 339.321 2.943 20 30 EFEDHM C=C(C)CCC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001602759583 1096364844 /nfs/dbraw/zinc/36/48/44/1096364844.db2.gz LEGAYPVUWDXUKK-CYBMUJFWSA-N -1 3 339.321 2.943 20 30 EFEDHM C=C(C)CN(CC)C(=O)COc1c(C)cc(Cl)cc1-c1nnn[n-]1 ZINC001602758668 1096364879 /nfs/dbraw/zinc/36/48/79/1096364879.db2.gz MNSLMRLRTPGEDH-UHFFFAOYSA-N -1 3 349.822 2.632 20 30 EFEDHM C=C(C)CN(CC)C(=O)COc1c(C)cc(Cl)cc1-c1nn[n-]n1 ZINC001602758668 1096364888 /nfs/dbraw/zinc/36/48/88/1096364888.db2.gz MNSLMRLRTPGEDH-UHFFFAOYSA-N -1 3 349.822 2.632 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])c(OC)c2)CC1 ZINC001602762390 1096366159 /nfs/dbraw/zinc/36/61/59/1096366159.db2.gz KRMIVTPQMQBHBW-UHFFFAOYSA-N -1 3 347.415 2.555 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001602773332 1096367916 /nfs/dbraw/zinc/36/79/16/1096367916.db2.gz VCAHCGZJKHQIRP-TXEJJXNPSA-N -1 3 328.351 2.721 20 30 EFEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001602773332 1096367925 /nfs/dbraw/zinc/36/79/25/1096367925.db2.gz VCAHCGZJKHQIRP-TXEJJXNPSA-N -1 3 328.351 2.721 20 30 EFEDHM C=C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC001602780420 1096368839 /nfs/dbraw/zinc/36/88/39/1096368839.db2.gz MVFDDMAUSPHKHP-CYBMUJFWSA-N -1 3 325.397 2.514 20 30 EFEDHM C=C[C@@H](C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC001602780975 1096369302 /nfs/dbraw/zinc/36/93/02/1096369302.db2.gz VBNLBEFRHVIPSB-SJLPKXTDSA-N -1 3 345.406 2.940 20 30 EFEDHM C=C[C@@H](C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21)c1ccccc1 ZINC001602780975 1096369313 /nfs/dbraw/zinc/36/93/13/1096369313.db2.gz VBNLBEFRHVIPSB-SJLPKXTDSA-N -1 3 345.406 2.940 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602795594 1096371930 /nfs/dbraw/zinc/37/19/30/1096371930.db2.gz UEULHBHUKBGBOK-YVEFUNNKSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602795594 1096371938 /nfs/dbraw/zinc/37/19/38/1096371938.db2.gz UEULHBHUKBGBOK-YVEFUNNKSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001602803782 1096373814 /nfs/dbraw/zinc/37/38/14/1096373814.db2.gz OWYMSWQSXKKZBB-HOCLYGCPSA-N -1 3 338.415 2.604 20 30 EFEDHM C=C[C@H]1CCCCN1C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001602803782 1096373823 /nfs/dbraw/zinc/37/38/23/1096373823.db2.gz OWYMSWQSXKKZBB-HOCLYGCPSA-N -1 3 338.415 2.604 20 30 EFEDHM C=CCC(CC=C)C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001602811460 1096375027 /nfs/dbraw/zinc/37/50/27/1096375027.db2.gz NDKUQQPPNMSTRO-UHFFFAOYSA-N -1 3 325.416 2.986 20 30 EFEDHM C=CCC(CC=C)C(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001602811460 1096375035 /nfs/dbraw/zinc/37/50/35/1096375035.db2.gz NDKUQQPPNMSTRO-UHFFFAOYSA-N -1 3 325.416 2.986 20 30 EFEDHM C=CCC(F)(F)C(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602816897 1096375250 /nfs/dbraw/zinc/37/52/50/1096375250.db2.gz WMTCNQUMMOXEEP-UHFFFAOYSA-N -1 3 335.358 2.817 20 30 EFEDHM C=CCC(F)(F)C(=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602816897 1096375257 /nfs/dbraw/zinc/37/52/57/1096375257.db2.gz WMTCNQUMMOXEEP-UHFFFAOYSA-N -1 3 335.358 2.817 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001602823004 1096377576 /nfs/dbraw/zinc/37/75/76/1096377576.db2.gz HIBNOGLDBDCEIX-YPMHNXCESA-N -1 3 327.392 2.518 20 30 EFEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001602823004 1096377584 /nfs/dbraw/zinc/37/75/84/1096377584.db2.gz HIBNOGLDBDCEIX-YPMHNXCESA-N -1 3 327.392 2.518 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602823444 1096377858 /nfs/dbraw/zinc/37/78/58/1096377858.db2.gz KTTKJEVJANVLNJ-GOEBONIOSA-N -1 3 325.416 2.660 20 30 EFEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602823444 1096377867 /nfs/dbraw/zinc/37/78/67/1096377867.db2.gz KTTKJEVJANVLNJ-GOEBONIOSA-N -1 3 325.416 2.660 20 30 EFEDHM C=CCCCC(=O)NC[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001602831934 1096379396 /nfs/dbraw/zinc/37/93/96/1096379396.db2.gz IINKUFDBDOHMNF-GFCCVEGCSA-N -1 3 346.410 2.526 20 30 EFEDHM C=CCCCC(=O)NC[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001602831934 1096379401 /nfs/dbraw/zinc/37/94/01/1096379401.db2.gz IINKUFDBDOHMNF-GFCCVEGCSA-N -1 3 346.410 2.526 20 30 EFEDHM C=CCCCCNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001602837711 1096380717 /nfs/dbraw/zinc/38/07/17/1096380717.db2.gz GAKQZHDOIVZFLZ-UHFFFAOYSA-N -1 3 343.435 2.719 20 30 EFEDHM C=CCCCCNC(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001602837711 1096380724 /nfs/dbraw/zinc/38/07/24/1096380724.db2.gz GAKQZHDOIVZFLZ-UHFFFAOYSA-N -1 3 343.435 2.719 20 30 EFEDHM C=CCCCN(C)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001602838129 1096380976 /nfs/dbraw/zinc/38/09/76/1096380976.db2.gz QKEQHYUAYQHWEN-UHFFFAOYSA-N -1 3 343.435 2.671 20 30 EFEDHM C=CCCCN(C)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001602838129 1096380983 /nfs/dbraw/zinc/38/09/83/1096380983.db2.gz QKEQHYUAYQHWEN-UHFFFAOYSA-N -1 3 343.435 2.671 20 30 EFEDHM C=CCCCCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001602837699 1096381763 /nfs/dbraw/zinc/38/17/63/1096381763.db2.gz FLBONSVQRRIONS-UHFFFAOYSA-N -1 3 331.380 2.906 20 30 EFEDHM C=CCCCCCCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001602837699 1096381769 /nfs/dbraw/zinc/38/17/69/1096381769.db2.gz FLBONSVQRRIONS-UHFFFAOYSA-N -1 3 331.380 2.906 20 30 EFEDHM C=CCCn1cc(CNc2ccc(C3CC3)c(-c3nnn[n-]3)c2)nn1 ZINC001602847641 1096382428 /nfs/dbraw/zinc/38/24/28/1096382428.db2.gz YKQOIQONBQFKFB-UHFFFAOYSA-N -1 3 336.403 2.524 20 30 EFEDHM C=CCCn1cc(CNc2ccc(C3CC3)c(-c3nn[n-]n3)c2)nn1 ZINC001602847641 1096382436 /nfs/dbraw/zinc/38/24/36/1096382436.db2.gz YKQOIQONBQFKFB-UHFFFAOYSA-N -1 3 336.403 2.524 20 30 EFEDHM C=CCCc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602846400 1096383084 /nfs/dbraw/zinc/38/30/84/1096383084.db2.gz LLCCGTHRFDLMMF-QGZVFWFLSA-N -1 3 349.394 2.657 20 30 EFEDHM C=CCCc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602846400 1096383091 /nfs/dbraw/zinc/38/30/91/1096383091.db2.gz LLCCGTHRFDLMMF-QGZVFWFLSA-N -1 3 349.394 2.657 20 30 EFEDHM C=CCCn1cc(COc2cc(C)c(-c3nn[n-]n3)c(C)c2C)nn1 ZINC001602847376 1096383167 /nfs/dbraw/zinc/38/31/67/1096383167.db2.gz RRIFYLBXRHAADS-UHFFFAOYSA-N -1 3 339.403 2.539 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)c1cscc1-c1nnn[n-]1 ZINC001602852038 1096384364 /nfs/dbraw/zinc/38/43/64/1096384364.db2.gz GTCWWPOLHYXNDS-UHFFFAOYSA-N -1 3 339.424 2.799 20 30 EFEDHM C=CCN(CCc1ccccc1)C(=O)c1cscc1-c1nn[n-]n1 ZINC001602852038 1096384372 /nfs/dbraw/zinc/38/43/72/1096384372.db2.gz GTCWWPOLHYXNDS-UHFFFAOYSA-N -1 3 339.424 2.799 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC001602856249 1096385683 /nfs/dbraw/zinc/38/56/83/1096385683.db2.gz ALHAKFNJOPWGPC-CZUORRHYSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC001602856249 1096385691 /nfs/dbraw/zinc/38/56/91/1096385691.db2.gz ALHAKFNJOPWGPC-CZUORRHYSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001602854038 1096386225 /nfs/dbraw/zinc/38/62/25/1096386225.db2.gz RKBCFSSNTZIEPX-VYDXJSESSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001602854038 1096386231 /nfs/dbraw/zinc/38/62/31/1096386231.db2.gz RKBCFSSNTZIEPX-VYDXJSESSA-N -1 3 337.427 2.818 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC1(C)C ZINC001602856293 1096386394 /nfs/dbraw/zinc/38/63/94/1096386394.db2.gz CETCWIHRTABQSC-HNNXBMFYSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC1(C)C ZINC001602856293 1096386404 /nfs/dbraw/zinc/38/64/04/1096386404.db2.gz CETCWIHRTABQSC-HNNXBMFYSA-N -1 3 340.431 2.753 20 30 EFEDHM C=CCN(CCOC)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001602852082 1096386696 /nfs/dbraw/zinc/38/66/96/1096386696.db2.gz HNNVJBHLOMBNMO-UHFFFAOYSA-N -1 3 327.310 2.524 20 30 EFEDHM C=CCN(CCOC)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001602852082 1096386700 /nfs/dbraw/zinc/38/67/00/1096386700.db2.gz HNNVJBHLOMBNMO-UHFFFAOYSA-N -1 3 327.310 2.524 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC=C(C)C ZINC001602857277 1096387046 /nfs/dbraw/zinc/38/70/46/1096387046.db2.gz XINNSCGNWQCQPF-UHFFFAOYSA-N -1 3 326.404 2.531 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC=C(C)C ZINC001602857277 1096387053 /nfs/dbraw/zinc/38/70/53/1096387053.db2.gz XINNSCGNWQCQPF-UHFFFAOYSA-N -1 3 326.404 2.531 20 30 EFEDHM C=CCN(Cc1nccn1C(C)C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602860092 1096388254 /nfs/dbraw/zinc/38/82/54/1096388254.db2.gz UFBIWSQZSBYQDY-UHFFFAOYSA-N -1 3 337.431 2.832 20 30 EFEDHM C=CCN(Cc1nccn1C(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602860092 1096388259 /nfs/dbraw/zinc/38/82/59/1096388259.db2.gz UFBIWSQZSBYQDY-UHFFFAOYSA-N -1 3 337.431 2.832 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001602883783 1096392164 /nfs/dbraw/zinc/39/21/64/1096392164.db2.gz JYUKFUJGUOHEQG-OLZOCXBDSA-N -1 3 328.420 2.705 20 30 EFEDHM C=C[C@@H]1OCCC[C@H]1Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001602883783 1096392173 /nfs/dbraw/zinc/39/21/73/1096392173.db2.gz JYUKFUJGUOHEQG-OLZOCXBDSA-N -1 3 328.420 2.705 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(OCC#N)cc1 ZINC001602908151 1096397085 /nfs/dbraw/zinc/39/70/85/1096397085.db2.gz NEMCMTKVRRXGAQ-UHFFFAOYSA-N -1 3 333.355 2.605 20 30 EFEDHM Cc1cc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)oc1C ZINC001602908289 1096397710 /nfs/dbraw/zinc/39/77/10/1096397710.db2.gz SPLADUKOXOWKDD-UHFFFAOYSA-N -1 3 331.767 2.961 20 30 EFEDHM Cc1cc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)oc1C ZINC001602908289 1096397716 /nfs/dbraw/zinc/39/77/16/1096397716.db2.gz SPLADUKOXOWKDD-UHFFFAOYSA-N -1 3 331.767 2.961 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccnn1CC1CCC1 ZINC001602908147 1096397935 /nfs/dbraw/zinc/39/79/35/1096397935.db2.gz MZLTWEJUJCIXBH-UHFFFAOYSA-N -1 3 336.403 2.699 20 30 EFEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccnn1CC1CCC1 ZINC001602907882 1096398143 /nfs/dbraw/zinc/39/81/43/1096398143.db2.gz BHYLWMXOCZXJCK-UHFFFAOYSA-N -1 3 336.403 2.699 20 30 EFEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccnn1CC1CCC1 ZINC001602907882 1096398149 /nfs/dbraw/zinc/39/81/49/1096398149.db2.gz BHYLWMXOCZXJCK-UHFFFAOYSA-N -1 3 336.403 2.699 20 30 EFEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(C(C)(C)C)c1C ZINC001602908331 1096398255 /nfs/dbraw/zinc/39/82/55/1096398255.db2.gz TWEOFWBXVQEDHE-UHFFFAOYSA-N -1 3 338.419 2.963 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCCc1ccc(-c2nnn[n-]2)cc1 ZINC001602978962 1096414733 /nfs/dbraw/zinc/41/47/33/1096414733.db2.gz FYDJCTTTZHRZBI-UHFFFAOYSA-N -1 3 333.351 2.562 20 30 EFEDHM CC(=O)c1cccc(C#N)c1OCCc1ccc(-c2nn[n-]n2)cc1 ZINC001602978962 1096414735 /nfs/dbraw/zinc/41/47/35/1096414735.db2.gz FYDJCTTTZHRZBI-UHFFFAOYSA-N -1 3 333.351 2.562 20 30 EFEDHM CC(C)(C)Oc1ccc(NC(=O)CCCC#N)cc1-c1nnn[n-]1 ZINC001603106160 1096444550 /nfs/dbraw/zinc/44/45/50/1096444550.db2.gz GDEAVDYGTRVKIZ-UHFFFAOYSA-N -1 3 328.376 2.676 20 30 EFEDHM CC(C)(C)Oc1ccc(NC(=O)CCCC#N)cc1-c1nn[n-]n1 ZINC001603106160 1096444555 /nfs/dbraw/zinc/44/45/55/1096444555.db2.gz GDEAVDYGTRVKIZ-UHFFFAOYSA-N -1 3 328.376 2.676 20 30 EFEDHM CC(C)(C)Oc1ccc(NCc2cncc(C#N)c2)cc1-c1nnn[n-]1 ZINC001603108519 1096445835 /nfs/dbraw/zinc/44/58/35/1096445835.db2.gz SHFWOERLPQXTPK-UHFFFAOYSA-N -1 3 349.398 2.923 20 30 EFEDHM CC(C)(C)Oc1ccc(NCc2cncc(C#N)c2)cc1-c1nn[n-]n1 ZINC001603108519 1096445841 /nfs/dbraw/zinc/44/58/41/1096445841.db2.gz SHFWOERLPQXTPK-UHFFFAOYSA-N -1 3 349.398 2.923 20 30 EFEDHM CC(C)(C)c1noc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001603125857 1096453351 /nfs/dbraw/zinc/45/33/51/1096453351.db2.gz VJSPLWYJPUMRKX-UHFFFAOYSA-N -1 3 346.782 2.647 20 30 EFEDHM CC(C)(C)c1noc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001603125857 1096453355 /nfs/dbraw/zinc/45/33/55/1096453355.db2.gz VJSPLWYJPUMRKX-UHFFFAOYSA-N -1 3 346.782 2.647 20 30 EFEDHM CC(C)Nc1nnc(Sc2c(C#N)cccc2-c2nnn[n-]2)s1 ZINC001603341012 1096508360 /nfs/dbraw/zinc/50/83/60/1096508360.db2.gz NQCDYAWSTQXBPU-UHFFFAOYSA-N -1 3 344.429 2.561 20 30 EFEDHM CC(C)Nc1nnc(Sc2c(C#N)cccc2-c2nn[n-]n2)s1 ZINC001603341012 1096508370 /nfs/dbraw/zinc/50/83/70/1096508370.db2.gz NQCDYAWSTQXBPU-UHFFFAOYSA-N -1 3 344.429 2.561 20 30 EFEDHM C[C@@H](CC#N)C(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001603443259 1096529885 /nfs/dbraw/zinc/52/98/85/1096529885.db2.gz RLIRKPZKJIDBEG-LBPRGKRZSA-N -1 3 333.351 2.989 20 30 EFEDHM C[C@@H](CC#N)C(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001603443259 1096529893 /nfs/dbraw/zinc/52/98/93/1096529893.db2.gz RLIRKPZKJIDBEG-LBPRGKRZSA-N -1 3 333.351 2.989 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1ccccc1C#N ZINC001603572599 1096556162 /nfs/dbraw/zinc/55/61/62/1096556162.db2.gz PSHHQEIWOZOQMM-ZDUSSCGKSA-N -1 3 346.394 2.580 20 30 EFEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1ccccc1C#N ZINC001603572599 1096556167 /nfs/dbraw/zinc/55/61/67/1096556167.db2.gz PSHHQEIWOZOQMM-ZDUSSCGKSA-N -1 3 346.394 2.580 20 30 EFEDHM C[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001603607347 1096565533 /nfs/dbraw/zinc/56/55/33/1096565533.db2.gz GSBFYNXILQUXKN-KZULUSFZSA-N -1 3 336.399 2.518 20 30 EFEDHM C[C@@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001603607347 1096565536 /nfs/dbraw/zinc/56/55/36/1096565536.db2.gz GSBFYNXILQUXKN-KZULUSFZSA-N -1 3 336.399 2.518 20 30 EFEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)Cc1ccc(C#N)cc1 ZINC001603726752 1096602812 /nfs/dbraw/zinc/60/28/12/1096602812.db2.gz ASHXMEOCDAEQMF-ZDUSSCGKSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)Cc1ccc(C#N)cc1 ZINC001603726752 1096602817 /nfs/dbraw/zinc/60/28/17/1096602817.db2.gz ASHXMEOCDAEQMF-ZDUSSCGKSA-N -1 3 346.394 2.500 20 30 EFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC001603879940 1096654016 /nfs/dbraw/zinc/65/40/16/1096654016.db2.gz CWZRKWXAOWGZDN-HWPZZCPQSA-N -1 3 344.806 2.722 20 30 EFEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC001603879940 1096654019 /nfs/dbraw/zinc/65/40/19/1096654019.db2.gz CWZRKWXAOWGZDN-HWPZZCPQSA-N -1 3 344.806 2.722 20 30 EFEDHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001604016609 1096699684 /nfs/dbraw/zinc/69/96/84/1096699684.db2.gz URJWZMKCKIYQCR-MRVPVSSYSA-N -1 3 338.293 2.655 20 30 EFEDHM CC[C@H](CC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001604016609 1096699688 /nfs/dbraw/zinc/69/96/88/1096699688.db2.gz URJWZMKCKIYQCR-MRVPVSSYSA-N -1 3 338.293 2.655 20 30 EFEDHM CCC(CC)CN(CCC#N)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001604025243 1096702540 /nfs/dbraw/zinc/70/25/40/1096702540.db2.gz BUHKSJDKGITTNS-UHFFFAOYSA-N -1 3 332.433 2.720 20 30 EFEDHM CCCCCCC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001604176800 1096763180 /nfs/dbraw/zinc/76/31/80/1096763180.db2.gz YGTUXRYEUMLXOD-ZDUSSCGKSA-N -1 3 330.436 2.988 20 30 EFEDHM CCCCCCC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001604176800 1096763186 /nfs/dbraw/zinc/76/31/86/1096763186.db2.gz YGTUXRYEUMLXOD-ZDUSSCGKSA-N -1 3 330.436 2.988 20 30 EFEDHM CCN(C)c1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001604273838 1096793134 /nfs/dbraw/zinc/79/31/34/1096793134.db2.gz VASIVBXVMSJUTE-CLFYSBASSA-N -1 3 334.383 2.614 20 30 EFEDHM CCN(C)c1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001604273838 1096793140 /nfs/dbraw/zinc/79/31/40/1096793140.db2.gz VASIVBXVMSJUTE-CLFYSBASSA-N -1 3 334.383 2.614 20 30 EFEDHM CCOc1ccc(O)c(C=Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC001604463081 1096865916 /nfs/dbraw/zinc/86/59/16/1096865916.db2.gz KRTRMHQTWCYMMI-UHFFFAOYSA-N -1 3 339.355 2.730 20 30 EFEDHM CCOc1ccc(O)c(C=Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC001604463081 1096865923 /nfs/dbraw/zinc/86/59/23/1096865923.db2.gz KRTRMHQTWCYMMI-UHFFFAOYSA-N -1 3 339.355 2.730 20 30 EFEDHM CCOc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001604465145 1096868841 /nfs/dbraw/zinc/86/88/41/1096868841.db2.gz DKVLTRDNWNPBTB-UHFFFAOYSA-N -1 3 341.346 2.955 20 30 EFEDHM CCOc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001604465145 1096868849 /nfs/dbraw/zinc/86/88/49/1096868849.db2.gz DKVLTRDNWNPBTB-UHFFFAOYSA-N -1 3 341.346 2.955 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OCCOc1ccccc1C#N ZINC001604510697 1096884789 /nfs/dbraw/zinc/88/47/89/1096884789.db2.gz HOPFIOHBDBSGBN-UHFFFAOYSA-N -1 3 335.367 2.759 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cscc2C#N)s1 ZINC001604510520 1096884888 /nfs/dbraw/zinc/88/48/88/1096884888.db2.gz PADLFSXFFJDYLA-UHFFFAOYSA-N -1 3 330.398 2.676 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cscc2C#N)s1 ZINC001604510520 1096884893 /nfs/dbraw/zinc/88/48/93/1096884893.db2.gz PADLFSXFFJDYLA-UHFFFAOYSA-N -1 3 330.398 2.676 20 30 EFEDHM CCn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C)n1 ZINC001604605007 1096912813 /nfs/dbraw/zinc/91/28/13/1096912813.db2.gz ODRWMQKGLJUVAM-LCYFTJDESA-N -1 3 334.383 2.604 20 30 EFEDHM CCn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C)n1 ZINC001604605007 1096912818 /nfs/dbraw/zinc/91/28/18/1096912818.db2.gz ODRWMQKGLJUVAM-LCYFTJDESA-N -1 3 334.383 2.604 20 30 EFEDHM CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1-c1nnn[n-]1 ZINC001604657734 1096925801 /nfs/dbraw/zinc/92/58/01/1096925801.db2.gz CDGIXYGMMSJRFZ-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(Cl)c(C#N)c1)c1ccccc1-c1nn[n-]n1 ZINC001604657734 1096925805 /nfs/dbraw/zinc/92/58/05/1096925805.db2.gz CDGIXYGMMSJRFZ-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1C#N ZINC001604659155 1096926239 /nfs/dbraw/zinc/92/62/39/1096926239.db2.gz UUXSHPUSUGBHMF-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccccc1C#N ZINC001604659155 1096926243 /nfs/dbraw/zinc/92/62/43/1096926243.db2.gz UUXSHPUSUGBHMF-UHFFFAOYSA-N -1 3 338.758 2.668 20 30 EFEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(C#N)c2ccsc21 ZINC001604806914 1096961015 /nfs/dbraw/zinc/96/10/15/1096961015.db2.gz CMSAAMBXOMTCRD-UHFFFAOYSA-N -1 3 347.407 2.984 20 30 EFEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(C#N)c2ccsc21 ZINC001604806914 1096961019 /nfs/dbraw/zinc/96/10/19/1096961019.db2.gz CMSAAMBXOMTCRD-UHFFFAOYSA-N -1 3 347.407 2.984 20 30 EFEDHM CN(Cc1cccc(C#N)c1)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001604815527 1096964230 /nfs/dbraw/zinc/96/42/30/1096964230.db2.gz IQKHYIGMWVZGQZ-UHFFFAOYSA-N -1 3 349.423 2.567 20 30 EFEDHM CN(Cc1cccc(C#N)c1)C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001604815527 1096964237 /nfs/dbraw/zinc/96/42/37/1096964237.db2.gz IQKHYIGMWVZGQZ-UHFFFAOYSA-N -1 3 349.423 2.567 20 30 EFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)Nc1ccccc1C#N ZINC001604814324 1096964415 /nfs/dbraw/zinc/96/44/15/1096964415.db2.gz PIBNXUHEPUMVRB-UHFFFAOYSA-N -1 3 349.423 2.567 20 30 EFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=S)Nc1ccccc1C#N ZINC001604814324 1096964419 /nfs/dbraw/zinc/96/44/19/1096964419.db2.gz PIBNXUHEPUMVRB-UHFFFAOYSA-N -1 3 349.423 2.567 20 30 EFEDHM CN(c1cc(Br)ccc1-c1nnn[n-]1)[C@@H]1CCC[C@H]1C#N ZINC001604828481 1096967177 /nfs/dbraw/zinc/96/71/77/1096967177.db2.gz PYPLUTDFSAFCMV-JOYOIKCWSA-N -1 3 347.220 2.758 20 30 EFEDHM CN(c1cc(Br)ccc1-c1nn[n-]n1)[C@@H]1CCC[C@H]1C#N ZINC001604828481 1096967179 /nfs/dbraw/zinc/96/71/79/1096967179.db2.gz PYPLUTDFSAFCMV-JOYOIKCWSA-N -1 3 347.220 2.758 20 30 EFEDHM CN(c1cc(Br)ccc1-c1nnn[n-]1)[C@H]1CCC[C@H]1C#N ZINC001604828480 1096967462 /nfs/dbraw/zinc/96/74/62/1096967462.db2.gz PYPLUTDFSAFCMV-CABZTGNLSA-N -1 3 347.220 2.758 20 30 EFEDHM CN(c1cc(Br)ccc1-c1nn[n-]n1)[C@H]1CCC[C@H]1C#N ZINC001604828480 1096967469 /nfs/dbraw/zinc/96/74/69/1096967469.db2.gz PYPLUTDFSAFCMV-CABZTGNLSA-N -1 3 347.220 2.758 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1CN1CCCc2cc(C#N)ccc21 ZINC001605168219 1097039931 /nfs/dbraw/zinc/03/99/31/1097039931.db2.gz CWVNPEDXLWVWQG-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCc2cc(C#N)ccc21 ZINC001605168219 1097039936 /nfs/dbraw/zinc/03/99/36/1097039936.db2.gz CWVNPEDXLWVWQG-UHFFFAOYSA-N -1 3 346.394 2.700 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC001605168967 1097041375 /nfs/dbraw/zinc/04/13/75/1097041375.db2.gz XLKVRPAPPVYLEW-LAUQKZGBSA-N -1 3 341.371 2.505 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC001605168967 1097041381 /nfs/dbraw/zinc/04/13/81/1097041381.db2.gz XLKVRPAPPVYLEW-LAUQKZGBSA-N -1 3 341.371 2.505 20 30 EFEDHM COc1cc(-c2nnn[n-]2)ccc1OCc1cn2ccccc2c1C#N ZINC001605188430 1097047631 /nfs/dbraw/zinc/04/76/31/1097047631.db2.gz HDSSSISANMUDIX-UHFFFAOYSA-N -1 3 346.350 2.579 20 30 EFEDHM COc1cc(-c2nn[n-]n2)ccc1OCc1cn2ccccc2c1C#N ZINC001605188430 1097047637 /nfs/dbraw/zinc/04/76/37/1097047637.db2.gz HDSSSISANMUDIX-UHFFFAOYSA-N -1 3 346.350 2.579 20 30 EFEDHM COc1cc(C=C2CCc3ccc(O)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001605205010 1097051887 /nfs/dbraw/zinc/05/18/87/1097051887.db2.gz FWIWJFZOOGFLBN-MDWZMJQESA-N -1 3 348.362 2.793 20 30 EFEDHM COc1cc(C=C2CCc3ccc(O)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001605205010 1097051892 /nfs/dbraw/zinc/05/18/92/1097051892.db2.gz FWIWJFZOOGFLBN-MDWZMJQESA-N -1 3 348.362 2.793 20 30 EFEDHM COc1cc(C=NNc2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC001605206181 1097051935 /nfs/dbraw/zinc/05/19/35/1097051935.db2.gz YZQKDOVUSGSMCJ-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM COc1cc(C=NNc2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC001605206181 1097051940 /nfs/dbraw/zinc/05/19/40/1097051940.db2.gz YZQKDOVUSGSMCJ-UHFFFAOYSA-N -1 3 328.763 2.975 20 30 EFEDHM COc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001605262561 1097071660 /nfs/dbraw/zinc/07/16/60/1097071660.db2.gz CDBVVZRRXZTMNL-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001605262561 1097071665 /nfs/dbraw/zinc/07/16/65/1097071665.db2.gz CDBVVZRRXZTMNL-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1ccc(COc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C#N ZINC001605287999 1097082506 /nfs/dbraw/zinc/08/25/06/1097082506.db2.gz LCOQLIPSCPDGNK-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccc(COc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C#N ZINC001605287999 1097082507 /nfs/dbraw/zinc/08/25/07/1097082507.db2.gz LCOQLIPSCPDGNK-UHFFFAOYSA-N -1 3 341.758 2.979 20 30 EFEDHM COc1ccc(CNc2cc(C#N)ccc2C(C)=O)cc1-c1nnn[n-]1 ZINC001605285971 1097082526 /nfs/dbraw/zinc/08/25/26/1097082526.db2.gz QGTOKGDGKFTFPJ-UHFFFAOYSA-N -1 3 348.366 2.562 20 30 EFEDHM COc1ccc(CNc2cc(C#N)ccc2C(C)=O)cc1-c1nn[n-]n1 ZINC001605285971 1097082531 /nfs/dbraw/zinc/08/25/31/1097082531.db2.gz QGTOKGDGKFTFPJ-UHFFFAOYSA-N -1 3 348.366 2.562 20 30 EFEDHM COc1cccc(C=N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1O ZINC001605320003 1097095400 /nfs/dbraw/zinc/09/54/00/1097095400.db2.gz XIJWTNCNWITNJU-RPJLVFAOSA-N -1 3 335.367 2.687 20 30 EFEDHM COc1cccc(C=N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1O ZINC001605320003 1097095406 /nfs/dbraw/zinc/09/54/06/1097095406.db2.gz XIJWTNCNWITNJU-RPJLVFAOSA-N -1 3 335.367 2.687 20 30 EFEDHM COc1cccc2c1CCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001605324346 1097095817 /nfs/dbraw/zinc/09/58/17/1097095817.db2.gz AGSBFSMXPQZUPO-UHFFFAOYSA-N -1 3 348.410 2.706 20 30 EFEDHM COc1cccc2c1CCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001605324346 1097095822 /nfs/dbraw/zinc/09/58/22/1097095822.db2.gz AGSBFSMXPQZUPO-UHFFFAOYSA-N -1 3 348.410 2.706 20 30 EFEDHM CSc1ccc(CNc2nccc(C)c2-c2nnn[n-]2)cc1C#N ZINC001605388167 1097113850 /nfs/dbraw/zinc/11/38/50/1097113850.db2.gz XZTKVNQTMZMFQY-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM CSc1ccc(CNc2nccc(C)c2-c2nn[n-]n2)cc1C#N ZINC001605388167 1097113852 /nfs/dbraw/zinc/11/38/52/1097113852.db2.gz XZTKVNQTMZMFQY-UHFFFAOYSA-N -1 3 337.412 2.776 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N1CCc2ccc(C#N)cc21 ZINC001605513936 1097142114 /nfs/dbraw/zinc/14/21/14/1097142114.db2.gz XLPXNRFZYWQCEZ-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N1CCc2ccc(C#N)cc21 ZINC001605513936 1097142118 /nfs/dbraw/zinc/14/21/18/1097142118.db2.gz XLPXNRFZYWQCEZ-UHFFFAOYSA-N -1 3 344.378 2.558 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N(C)c1ccccc1C#N ZINC001605514971 1097143593 /nfs/dbraw/zinc/14/35/93/1097143593.db2.gz GSOFGQGDHXYHPA-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N(C)c1ccccc1C#N ZINC001605514971 1097143596 /nfs/dbraw/zinc/14/35/96/1097143596.db2.gz GSOFGQGDHXYHPA-UHFFFAOYSA-N -1 3 346.394 2.561 20 30 EFEDHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)C[C@H](CC#N)c2ccccc2)n1 ZINC001605529886 1097149209 /nfs/dbraw/zinc/14/92/09/1097149209.db2.gz SOTZJZQVZCLZLL-AWEZNQCLSA-N -1 3 347.382 2.596 20 30 EFEDHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)C[C@H](CC#N)c2ccccc2)n1 ZINC001605529886 1097149212 /nfs/dbraw/zinc/14/92/12/1097149212.db2.gz SOTZJZQVZCLZLL-AWEZNQCLSA-N -1 3 347.382 2.596 20 30 EFEDHM Cc1cc(C#N)cc(N2CCC(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC001605589285 1097164834 /nfs/dbraw/zinc/16/48/34/1097164834.db2.gz VIWLMIDAHUVCTL-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(C#N)cc(N2CCC(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001605589285 1097164837 /nfs/dbraw/zinc/16/48/37/1097164837.db2.gz VIWLMIDAHUVCTL-UHFFFAOYSA-N -1 3 345.410 2.826 20 30 EFEDHM Cc1cc(C=NNc2ccnc3ccccc32)ccc1-c1nn[n-]n1 ZINC001605652791 1097181109 /nfs/dbraw/zinc/18/11/09/1097181109.db2.gz RGIFYEGYRCZHHN-UHFFFAOYSA-N -1 3 329.367 2.591 20 30 EFEDHM Cc1cc(F)c(-c2nnn[n-]2)c(NCc2ccc(C#N)cc2F)c1 ZINC001605673518 1097190728 /nfs/dbraw/zinc/19/07/28/1097190728.db2.gz ODWZRLJYOCBGQU-UHFFFAOYSA-N -1 3 326.310 2.937 20 30 EFEDHM Cc1cc(F)c(-c2nn[n-]n2)c(NCc2ccc(C#N)cc2F)c1 ZINC001605673518 1097190730 /nfs/dbraw/zinc/19/07/30/1097190730.db2.gz ODWZRLJYOCBGQU-UHFFFAOYSA-N -1 3 326.310 2.937 20 30 EFEDHM Cc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001605707683 1097201774 /nfs/dbraw/zinc/20/17/74/1097201774.db2.gz AZZCVFHKTLRPGY-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1cc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001605707683 1097201779 /nfs/dbraw/zinc/20/17/79/1097201779.db2.gz AZZCVFHKTLRPGY-UHFFFAOYSA-N -1 3 347.382 2.711 20 30 EFEDHM Cc1cc(NCC2CCC(C#N)CC2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605729375 1097209590 /nfs/dbraw/zinc/20/95/90/1097209590.db2.gz CNXNVJXEHOEBOZ-UHFFFAOYSA-N -1 3 341.375 2.825 20 30 EFEDHM Cc1cc(NCC2CCC(C#N)CC2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605729375 1097209595 /nfs/dbraw/zinc/20/95/95/1097209595.db2.gz CNXNVJXEHOEBOZ-UHFFFAOYSA-N -1 3 341.375 2.825 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC001605775791 1097221713 /nfs/dbraw/zinc/22/17/13/1097221713.db2.gz OIAGJJKXKCMOMO-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC001605775791 1097221714 /nfs/dbraw/zinc/22/17/14/1097221714.db2.gz OIAGJJKXKCMOMO-MRXNPFEDSA-N -1 3 331.383 2.931 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC001605790885 1097225947 /nfs/dbraw/zinc/22/59/47/1097225947.db2.gz KGNUSUZLWWZPQD-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC001605790885 1097225950 /nfs/dbraw/zinc/22/59/50/1097225950.db2.gz KGNUSUZLWWZPQD-UHFFFAOYSA-N -1 3 346.394 2.712 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001605793172 1097226842 /nfs/dbraw/zinc/22/68/42/1097226842.db2.gz OXUYRBYUXOAJQW-UHFFFAOYSA-N -1 3 349.398 2.856 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001605793172 1097226847 /nfs/dbraw/zinc/22/68/47/1097226847.db2.gz OXUYRBYUXOAJQW-UHFFFAOYSA-N -1 3 349.398 2.856 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC001605795305 1097228316 /nfs/dbraw/zinc/22/83/16/1097228316.db2.gz YWKBECTXXYKQMR-WFZFXDGQSA-N -1 3 336.399 2.834 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC001605795305 1097228322 /nfs/dbraw/zinc/22/83/22/1097228322.db2.gz YWKBECTXXYKQMR-WFZFXDGQSA-N -1 3 336.399 2.834 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001605805974 1097233065 /nfs/dbraw/zinc/23/30/65/1097233065.db2.gz PCGJZBSURFBVMH-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001605805974 1097233069 /nfs/dbraw/zinc/23/30/69/1097233069.db2.gz PCGJZBSURFBVMH-UHFFFAOYSA-N -1 3 344.378 2.717 20 30 EFEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCC(C)(C)CCC#N ZINC001605928311 1097277492 /nfs/dbraw/zinc/27/74/92/1097277492.db2.gz XCMXVOOQADHKIJ-UHFFFAOYSA-N -1 3 335.415 2.887 20 30 EFEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCC(C)(C)CCC#N ZINC001605928311 1097277496 /nfs/dbraw/zinc/27/74/96/1097277496.db2.gz XCMXVOOQADHKIJ-UHFFFAOYSA-N -1 3 335.415 2.887 20 30 EFEDHM Cc1sc(NC(=O)c2cscc2C#N)c(-c2nnn[n-]2)c1C ZINC001606183211 1097339913 /nfs/dbraw/zinc/33/99/13/1097339913.db2.gz OEHRRFRJFNPXGD-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Cc1sc(NC(=O)c2cscc2C#N)c(-c2nn[n-]n2)c1C ZINC001606183211 1097339918 /nfs/dbraw/zinc/33/99/18/1097339918.db2.gz OEHRRFRJFNPXGD-UHFFFAOYSA-N -1 3 330.398 2.731 20 30 EFEDHM Fc1ccc(-n2nccc2C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001606315931 1097376266 /nfs/dbraw/zinc/37/62/66/1097376266.db2.gz OIZHMTCSMHIKRO-UHFFFAOYSA-N -1 3 348.345 2.638 20 30 EFEDHM N#C[C@@H](NC(=O)c1csc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001606340609 1097388749 /nfs/dbraw/zinc/38/87/49/1097388749.db2.gz WMIAVEZVSUDVEL-LLVKDONJSA-N -1 3 344.787 2.576 20 30 EFEDHM N#CC1(COC(=O)c2ccc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001606343311 1097389952 /nfs/dbraw/zinc/38/99/52/1097389952.db2.gz LYBFXJWFJBVWJO-UHFFFAOYSA-N -1 3 329.335 2.637 20 30 EFEDHM N#CC1(COC(=O)c2ccc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001606343311 1097389955 /nfs/dbraw/zinc/38/99/55/1097389955.db2.gz LYBFXJWFJBVWJO-UHFFFAOYSA-N -1 3 329.335 2.637 20 30 EFEDHM N#CC1CCC(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CC1 ZINC001606344058 1097390013 /nfs/dbraw/zinc/39/00/13/1097390013.db2.gz DRYKVNVUBVJHTQ-UHFFFAOYSA-N -1 3 327.348 2.517 20 30 EFEDHM N#CC1CCC(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CC1 ZINC001606344058 1097390017 /nfs/dbraw/zinc/39/00/17/1097390017.db2.gz DRYKVNVUBVJHTQ-UHFFFAOYSA-N -1 3 327.348 2.517 20 30 EFEDHM N#CCC1(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001606345911 1097390170 /nfs/dbraw/zinc/39/01/70/1097390170.db2.gz KCDAFBDPJYNAHW-UHFFFAOYSA-N -1 3 347.835 2.500 20 30 EFEDHM N#CCC1(CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001606345911 1097390176 /nfs/dbraw/zinc/39/01/76/1097390176.db2.gz KCDAFBDPJYNAHW-UHFFFAOYSA-N -1 3 347.835 2.500 20 30 EFEDHM N#CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Br)c2)C1 ZINC001606346670 1097390818 /nfs/dbraw/zinc/39/08/18/1097390818.db2.gz XCYCRGDRBZSXGU-SNVBAGLBSA-N -1 3 347.220 2.759 20 30 EFEDHM N#CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Br)c2)C1 ZINC001606346670 1097390823 /nfs/dbraw/zinc/39/08/23/1097390823.db2.gz XCYCRGDRBZSXGU-SNVBAGLBSA-N -1 3 347.220 2.759 20 30 EFEDHM N#CCOC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC001606349428 1097390934 /nfs/dbraw/zinc/39/09/34/1097390934.db2.gz BDDBWWBWBCJHCD-UHFFFAOYSA-N -1 3 337.364 2.698 20 30 EFEDHM N#CCOC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC001606349428 1097390939 /nfs/dbraw/zinc/39/09/39/1097390939.db2.gz BDDBWWBWBCJHCD-UHFFFAOYSA-N -1 3 337.364 2.698 20 30 EFEDHM N#Cc1cc(NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC001606361165 1097392129 /nfs/dbraw/zinc/39/21/29/1097392129.db2.gz GYBXTXNRXKTRJK-UHFFFAOYSA-N -1 3 340.774 2.883 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc(F)ccc2Cl)ccc1-c1nnn[n-]1 ZINC001606361506 1097392396 /nfs/dbraw/zinc/39/23/96/1097392396.db2.gz SFACPANVTWCOPH-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1cc(NC(=O)c2cc(F)ccc2Cl)ccc1-c1nn[n-]n1 ZINC001606361506 1097392400 /nfs/dbraw/zinc/39/24/00/1097392400.db2.gz SFACPANVTWCOPH-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)C1 ZINC001606354602 1097392451 /nfs/dbraw/zinc/39/24/51/1097392451.db2.gz MLIMCHIECUTQBT-GXFFZTMASA-N -1 3 337.387 2.558 20 30 EFEDHM N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)C1 ZINC001606354602 1097392454 /nfs/dbraw/zinc/39/24/54/1097392454.db2.gz MLIMCHIECUTQBT-GXFFZTMASA-N -1 3 337.387 2.558 20 30 EFEDHM N#Cc1ccc(NC(=O)C[C@H]2CCCC2(F)F)cc1-c1nnn[n-]1 ZINC001606373131 1097393538 /nfs/dbraw/zinc/39/35/38/1097393538.db2.gz ZURKDOYSOKNYJL-SNVBAGLBSA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1ccc(NC(=O)C[C@H]2CCCC2(F)F)cc1-c1nn[n-]n1 ZINC001606373131 1097393544 /nfs/dbraw/zinc/39/35/44/1097393544.db2.gz ZURKDOYSOKNYJL-SNVBAGLBSA-N -1 3 332.314 2.502 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1-c1nnn[n-]1 ZINC001606372945 1097393602 /nfs/dbraw/zinc/39/36/02/1097393602.db2.gz QEBZZDBKPANYKJ-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(NC(=O)Cc2cccc(C3CC3)c2)cc1-c1nn[n-]n1 ZINC001606372945 1097393606 /nfs/dbraw/zinc/39/36/06/1097393606.db2.gz QEBZZDBKPANYKJ-UHFFFAOYSA-N -1 3 344.378 2.797 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC001606367745 1097394210 /nfs/dbraw/zinc/39/42/10/1097394210.db2.gz MHXGJADNWCJDCL-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC001606367745 1097394213 /nfs/dbraw/zinc/39/42/13/1097394213.db2.gz MHXGJADNWCJDCL-UHFFFAOYSA-N -1 3 342.721 2.783 20 30 EFEDHM N#Cc1ccc(C2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC001606368322 1097394420 /nfs/dbraw/zinc/39/44/20/1097394420.db2.gz WMKFAHVSGXHFTL-UHFFFAOYSA-N -1 3 349.373 2.656 20 30 EFEDHM N#Cc1ccc(C2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC001606368322 1097394422 /nfs/dbraw/zinc/39/44/22/1097394422.db2.gz WMKFAHVSGXHFTL-UHFFFAOYSA-N -1 3 349.373 2.656 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1cnn(-c2ccccc2F)c1 ZINC001606379689 1097395523 /nfs/dbraw/zinc/39/55/23/1097395523.db2.gz ISWGFUSTJLIMEX-UHFFFAOYSA-N -1 3 346.329 2.807 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1cnn(-c2ccccc2F)c1 ZINC001606379689 1097395530 /nfs/dbraw/zinc/39/55/30/1097395530.db2.gz ISWGFUSTJLIMEX-UHFFFAOYSA-N -1 3 346.329 2.807 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1cccc(N2CCCC2=O)c1 ZINC001606379505 1097395679 /nfs/dbraw/zinc/39/56/79/1097395679.db2.gz BNIBFBYMOGNBCL-UHFFFAOYSA-N -1 3 345.366 2.609 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1cccc(N2CCCC2=O)c1 ZINC001606379505 1097395680 /nfs/dbraw/zinc/39/56/80/1097395680.db2.gz BNIBFBYMOGNBCL-UHFFFAOYSA-N -1 3 345.366 2.609 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCc2ccccc2N1 ZINC001606379500 1097395848 /nfs/dbraw/zinc/39/58/48/1097395848.db2.gz BHEVCONQTOSQSR-AWEZNQCLSA-N -1 3 331.383 2.577 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCc2ccccc2N1 ZINC001606379500 1097395851 /nfs/dbraw/zinc/39/58/51/1097395851.db2.gz BHEVCONQTOSQSR-AWEZNQCLSA-N -1 3 331.383 2.577 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cscc2Cl)cc1-c1nnn[n-]1 ZINC001606378035 1097395868 /nfs/dbraw/zinc/39/58/68/1097395868.db2.gz ZPRANSGMGQCETL-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccc(NC(=O)c2cscc2Cl)cc1-c1nn[n-]n1 ZINC001606378035 1097395871 /nfs/dbraw/zinc/39/58/71/1097395871.db2.gz ZPRANSGMGQCETL-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1cccc(NC2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001606382043 1097397158 /nfs/dbraw/zinc/39/71/58/1097397158.db2.gz UXUFYWCQHDZUNF-UHFFFAOYSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCSC2(CCC2)CC1 ZINC001606380358 1097397325 /nfs/dbraw/zinc/39/73/25/1097397325.db2.gz VICOHJXHQUCYSE-UHFFFAOYSA-N -1 3 326.429 2.604 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCSC2(CCC2)CC1 ZINC001606380358 1097397329 /nfs/dbraw/zinc/39/73/29/1097397329.db2.gz VICOHJXHQUCYSE-UHFFFAOYSA-N -1 3 326.429 2.604 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC001606379817 1097397426 /nfs/dbraw/zinc/39/74/26/1097397426.db2.gz MTSLYEYAMDYUQD-HLLBOEOZSA-N -1 3 332.342 2.628 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC001606379817 1097397431 /nfs/dbraw/zinc/39/74/31/1097397431.db2.gz MTSLYEYAMDYUQD-HLLBOEOZSA-N -1 3 332.342 2.628 20 30 EFEDHM N#Cc1ncccc1Oc1cc(Br)ccc1-c1nnn[n-]1 ZINC001606398619 1097398777 /nfs/dbraw/zinc/39/87/77/1097398777.db2.gz OEWJXPFNQVKHBC-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM N#Cc1ncccc1Oc1cc(Br)ccc1-c1nn[n-]n1 ZINC001606398619 1097398783 /nfs/dbraw/zinc/39/87/83/1097398783.db2.gz OEWJXPFNQVKHBC-UHFFFAOYSA-N -1 3 343.144 2.688 20 30 EFEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2[nH]c(=O)oc2c1 ZINC001606482590 1097405946 /nfs/dbraw/zinc/40/59/46/1097405946.db2.gz PVLWJXDCXCUFSL-GORDUTHDSA-N -1 3 339.336 2.671 20 30 EFEDHM O=C(C=Cc1c(F)ccc(O)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001606482282 1097406066 /nfs/dbraw/zinc/40/60/66/1097406066.db2.gz LRIDWJJPXYOXRZ-HWKANZROSA-N -1 3 346.268 2.886 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc2[nH]c(=O)oc2c1 ZINC001606486052 1097407280 /nfs/dbraw/zinc/40/72/80/1097407280.db2.gz RIDWYEGXCSFCPD-SOFGYWHQSA-N -1 3 333.307 2.610 20 30 EFEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc2[nH]c(=O)oc2c1 ZINC001606486052 1097407283 /nfs/dbraw/zinc/40/72/83/1097407283.db2.gz RIDWYEGXCSFCPD-SOFGYWHQSA-N -1 3 333.307 2.610 20 30 EFEDHM COc1ccc(CNCc2cc(C(=O)[O-])c3n2CCCC3)cc1C#N ZINC001607259917 1097577904 /nfs/dbraw/zinc/57/79/04/1097577904.db2.gz FGOPVDHDDJKWGU-UHFFFAOYSA-N -1 3 339.395 2.693 20 30 EFEDHM N#CCOc1ccc(CN2CCC(c3cc(C(=O)[O-])on3)CC2)cc1 ZINC001608189030 1097855147 /nfs/dbraw/zinc/85/51/47/1097855147.db2.gz WFNSBTFCTDHMHU-UHFFFAOYSA-N -1 3 341.367 2.655 20 30 EFEDHM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001608204355 1097861863 /nfs/dbraw/zinc/86/18/63/1097861863.db2.gz CWMXLZXLDREHBC-KKUMJFAQSA-N -1 3 329.356 2.542 20 30 EFEDHM O=C([O-])[C@H]1[C@H](CNCC#Cc2ccc(C(F)(F)F)cc2)C1(F)F ZINC001608595976 1097963102 /nfs/dbraw/zinc/96/31/02/1097963102.db2.gz GTMWYCZCGWHREV-NWDGAFQWSA-N -1 3 333.256 2.612 20 30 EFEDHM C#CCCNc1c(-c2nnn[n-]2)cnc2c(Br)cccc21 ZINC001609020528 1098112824 /nfs/dbraw/zinc/11/28/24/1098112824.db2.gz PBJZGVLRWXRQLI-UHFFFAOYSA-N -1 3 343.188 2.613 20 30 EFEDHM C#CCCNc1c(-c2nn[n-]n2)cnc2c(Br)cccc21 ZINC001609020528 1098112826 /nfs/dbraw/zinc/11/28/26/1098112826.db2.gz PBJZGVLRWXRQLI-UHFFFAOYSA-N -1 3 343.188 2.613 20 30 EFEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC001609020809 1098113254 /nfs/dbraw/zinc/11/32/54/1098113254.db2.gz KFRKDNKNWMTYCA-UHFFFAOYSA-N -1 3 343.818 2.928 20 30 EFEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC001609020809 1098113259 /nfs/dbraw/zinc/11/32/59/1098113259.db2.gz KFRKDNKNWMTYCA-UHFFFAOYSA-N -1 3 343.818 2.928 20 30 EFEDHM C#C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001609019177 1098113402 /nfs/dbraw/zinc/11/34/02/1098113402.db2.gz OUTREXFJLLMIIO-CYBMUJFWSA-N -1 3 347.378 2.719 20 30 EFEDHM C#C[C@@H](C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001609019177 1098113406 /nfs/dbraw/zinc/11/34/06/1098113406.db2.gz OUTREXFJLLMIIO-CYBMUJFWSA-N -1 3 347.378 2.719 20 30 EFEDHM C#CCOc1ccc(C=Cc2ccncc2-c2nnn[n-]2)cc1OCC ZINC001609021676 1098114555 /nfs/dbraw/zinc/11/45/55/1098114555.db2.gz SYASTRQRVYWMJG-ALCCZGGFSA-N -1 3 347.378 2.843 20 30 EFEDHM C#CCOc1ccc(C=Cc2ccncc2-c2nn[n-]n2)cc1OCC ZINC001609021676 1098114558 /nfs/dbraw/zinc/11/45/58/1098114558.db2.gz SYASTRQRVYWMJG-ALCCZGGFSA-N -1 3 347.378 2.843 20 30 EFEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1nc2c(s1)CCCC2 ZINC001609022489 1098114582 /nfs/dbraw/zinc/11/45/82/1098114582.db2.gz UYBDASFUWILCGN-UHFFFAOYSA-N -1 3 325.401 2.648 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001609050815 1098121566 /nfs/dbraw/zinc/12/15/66/1098121566.db2.gz CVIWJKLMDVPLED-PXAZEXFGSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001609050815 1098121569 /nfs/dbraw/zinc/12/15/69/1098121569.db2.gz CVIWJKLMDVPLED-PXAZEXFGSA-N -1 3 336.399 2.808 20 30 EFEDHM C=C(C)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609051804 1098121880 /nfs/dbraw/zinc/12/18/80/1098121880.db2.gz VNXHLMZDXCQUEH-UHFFFAOYSA-N -1 3 326.282 2.583 20 30 EFEDHM C=C(C)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609051804 1098121884 /nfs/dbraw/zinc/12/18/84/1098121884.db2.gz VNXHLMZDXCQUEH-UHFFFAOYSA-N -1 3 326.282 2.583 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001609051369 1098121919 /nfs/dbraw/zinc/12/19/19/1098121919.db2.gz XFUIGYJLIQVPJO-CJNGLKHVSA-N -1 3 340.431 2.534 20 30 EFEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001609051369 1098121921 /nfs/dbraw/zinc/12/19/21/1098121921.db2.gz XFUIGYJLIQVPJO-CJNGLKHVSA-N -1 3 340.431 2.534 20 30 EFEDHM C=C(C)CN(CC)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nnn[n-]1 ZINC001609050849 1098122030 /nfs/dbraw/zinc/12/20/30/1098122030.db2.gz DUZJYAXYQHXAJS-UHFFFAOYSA-N -1 3 343.435 2.671 20 30 EFEDHM C=C(C)CN(CC)C(=O)Nc1cc(C)c(N(C)C)cc1-c1nn[n-]n1 ZINC001609050849 1098122033 /nfs/dbraw/zinc/12/20/33/1098122033.db2.gz DUZJYAXYQHXAJS-UHFFFAOYSA-N -1 3 343.435 2.671 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001609055142 1098122575 /nfs/dbraw/zinc/12/25/75/1098122575.db2.gz RYJPYFDASLYPCM-LBPRGKRZSA-N -1 3 345.403 2.574 20 30 EFEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001609055142 1098122579 /nfs/dbraw/zinc/12/25/79/1098122579.db2.gz RYJPYFDASLYPCM-LBPRGKRZSA-N -1 3 345.403 2.574 20 30 EFEDHM C=CCC(C)(C)CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001609053027 1098122602 /nfs/dbraw/zinc/12/26/02/1098122602.db2.gz ZMEMTJMUJGHGOX-UHFFFAOYSA-N -1 3 345.472 2.818 20 30 EFEDHM C=CCC(C)(C)CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001609053027 1098122607 /nfs/dbraw/zinc/12/26/07/1098122607.db2.gz ZMEMTJMUJGHGOX-UHFFFAOYSA-N -1 3 345.472 2.818 20 30 EFEDHM C=CC[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609052855 1098122870 /nfs/dbraw/zinc/12/28/70/1098122870.db2.gz SBZOAVKVHYMUBF-SECBINFHSA-N -1 3 325.332 2.700 20 30 EFEDHM C=CC[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609052855 1098122874 /nfs/dbraw/zinc/12/28/74/1098122874.db2.gz SBZOAVKVHYMUBF-SECBINFHSA-N -1 3 325.332 2.700 20 30 EFEDHM C=CC[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609052856 1098123016 /nfs/dbraw/zinc/12/30/16/1098123016.db2.gz SBZOAVKVHYMUBF-VIFPVBQESA-N -1 3 325.332 2.700 20 30 EFEDHM C=CC[C@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001609052856 1098123019 /nfs/dbraw/zinc/12/30/19/1098123019.db2.gz SBZOAVKVHYMUBF-VIFPVBQESA-N -1 3 325.332 2.700 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609053773 1098123529 /nfs/dbraw/zinc/12/35/29/1098123529.db2.gz RDLNOSRNVIAHRP-ZBFHGGJFSA-N -1 3 340.431 2.898 20 30 EFEDHM C=CC[C@@H](CC)NC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609053773 1098123536 /nfs/dbraw/zinc/12/35/36/1098123536.db2.gz RDLNOSRNVIAHRP-ZBFHGGJFSA-N -1 3 340.431 2.898 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609052350 1098123543 /nfs/dbraw/zinc/12/35/43/1098123543.db2.gz YUIJSGKJMJKBHV-SJCJKPOMSA-N -1 3 330.388 2.700 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609052350 1098123550 /nfs/dbraw/zinc/12/35/50/1098123550.db2.gz YUIJSGKJMJKBHV-SJCJKPOMSA-N -1 3 330.388 2.700 20 30 EFEDHM C=CCCCN(C)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609055358 1098124231 /nfs/dbraw/zinc/12/42/31/1098124231.db2.gz XPXCHQWODISGDS-INIZCTEOSA-N -1 3 340.431 2.852 20 30 EFEDHM C=CCCCN(C)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609055358 1098124236 /nfs/dbraw/zinc/12/42/36/1098124236.db2.gz XPXCHQWODISGDS-INIZCTEOSA-N -1 3 340.431 2.852 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C)ccn1 ZINC001609057039 1098124727 /nfs/dbraw/zinc/12/47/27/1098124727.db2.gz VGXWYEDUSDBFRR-UHFFFAOYSA-N -1 3 349.398 2.790 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C)ccn1 ZINC001609057039 1098124730 /nfs/dbraw/zinc/12/47/30/1098124730.db2.gz VGXWYEDUSDBFRR-UHFFFAOYSA-N -1 3 349.398 2.790 20 30 EFEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)OC1CCCC1 ZINC001609056648 1098124958 /nfs/dbraw/zinc/12/49/58/1098124958.db2.gz BVBNPJBGBCNOOM-UHFFFAOYSA-N -1 3 327.388 2.934 20 30 EFEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)OC1CCCC1 ZINC001609056648 1098124963 /nfs/dbraw/zinc/12/49/63/1098124963.db2.gz BVBNPJBGBCNOOM-UHFFFAOYSA-N -1 3 327.388 2.934 20 30 EFEDHM CC(=NNC(=S)Nc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609060951 1098125775 /nfs/dbraw/zinc/12/57/75/1098125775.db2.gz QPRAKTKZBDEGQW-UHFFFAOYSA-N -1 3 337.412 2.577 20 30 EFEDHM CC(=NNC(=S)Nc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609060951 1098125780 /nfs/dbraw/zinc/12/57/80/1098125780.db2.gz QPRAKTKZBDEGQW-UHFFFAOYSA-N -1 3 337.412 2.577 20 30 EFEDHM C=CCc1ccccc1OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001609059572 1098126575 /nfs/dbraw/zinc/12/65/75/1098126575.db2.gz XKHNCMORBRSRNZ-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM C=CCc1ccccc1OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001609059572 1098126578 /nfs/dbraw/zinc/12/65/78/1098126578.db2.gz XKHNCMORBRSRNZ-UHFFFAOYSA-N -1 3 335.367 2.613 20 30 EFEDHM Cc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(C)n1 ZINC001609061135 1098126667 /nfs/dbraw/zinc/12/66/67/1098126667.db2.gz GZYCCKUZKNPXPM-UHFFFAOYSA-N -1 3 342.794 2.763 20 30 EFEDHM Cc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)n1 ZINC001609061135 1098126669 /nfs/dbraw/zinc/12/66/69/1098126669.db2.gz GZYCCKUZKNPXPM-UHFFFAOYSA-N -1 3 342.794 2.763 20 30 EFEDHM CC(N=Nc1ccc(Cl)nn1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001609061328 1098127724 /nfs/dbraw/zinc/12/77/24/1098127724.db2.gz XBNGOQKBDDTZSV-UHFFFAOYSA-N -1 3 349.185 2.800 20 30 EFEDHM CC(N=Nc1ccc(Cl)nn1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001609061328 1098127728 /nfs/dbraw/zinc/12/77/28/1098127728.db2.gz XBNGOQKBDDTZSV-UHFFFAOYSA-N -1 3 349.185 2.800 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001609072644 1098130996 /nfs/dbraw/zinc/13/09/96/1098130996.db2.gz YVSMMMBXOSVETK-UHFFFAOYSA-N -1 3 345.428 2.832 20 30 EFEDHM CC(C)(C#N)CCCOC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001609072644 1098130998 /nfs/dbraw/zinc/13/09/98/1098130998.db2.gz YVSMMMBXOSVETK-UHFFFAOYSA-N -1 3 345.428 2.832 20 30 EFEDHM CC(CCCc1cccnc1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001609109473 1098149639 /nfs/dbraw/zinc/14/96/39/1098149639.db2.gz BZHZMGJVJFAZPI-UHFFFAOYSA-N -1 3 335.415 2.750 20 30 EFEDHM CC(CCCc1cccnc1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001609109473 1098149644 /nfs/dbraw/zinc/14/96/44/1098149644.db2.gz BZHZMGJVJFAZPI-UHFFFAOYSA-N -1 3 335.415 2.750 20 30 EFEDHM C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC001609130377 1098160592 /nfs/dbraw/zinc/16/05/92/1098160592.db2.gz POXDFBIULIDBAJ-SGTLLEGYSA-N -1 3 337.383 2.945 20 30 EFEDHM C[C@H](OC(=O)[C@@]1(C#N)CC12CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC001609130377 1098160598 /nfs/dbraw/zinc/16/05/98/1098160598.db2.gz POXDFBIULIDBAJ-SGTLLEGYSA-N -1 3 337.383 2.945 20 30 EFEDHM C=C(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])cc1 ZINC001269482482 1098175230 /nfs/dbraw/zinc/17/52/30/1098175230.db2.gz DFMUTCZQSKFWFO-IBGZPJMESA-N -1 3 328.412 2.566 20 30 EFEDHM CCCON=C(C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001609216783 1098207028 /nfs/dbraw/zinc/20/70/28/1098207028.db2.gz ILEXCCHPIXACBY-UHFFFAOYSA-N -1 3 325.376 2.511 20 30 EFEDHM CCN(C(=O)CC(C)(C)C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609219194 1098208317 /nfs/dbraw/zinc/20/83/17/1098208317.db2.gz XTIFLQZRSQFRDR-LBPRGKRZSA-N -1 3 326.404 2.716 20 30 EFEDHM CCN(C(=O)CC(C)(C)C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609219194 1098208323 /nfs/dbraw/zinc/20/83/23/1098208323.db2.gz XTIFLQZRSQFRDR-LBPRGKRZSA-N -1 3 326.404 2.716 20 30 EFEDHM CCN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001609221128 1098211793 /nfs/dbraw/zinc/21/17/93/1098211793.db2.gz HUPCKWKRPZLJMD-ONNFQVAWSA-N -1 3 334.383 2.614 20 30 EFEDHM CCN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001609221128 1098211795 /nfs/dbraw/zinc/21/17/95/1098211795.db2.gz HUPCKWKRPZLJMD-ONNFQVAWSA-N -1 3 334.383 2.614 20 30 EFEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)C1(C#N)CCCCC1 ZINC001609250566 1098223901 /nfs/dbraw/zinc/22/39/01/1098223901.db2.gz OYYBRJMCCXQPDT-UHFFFAOYSA-N -1 3 325.372 2.809 20 30 EFEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)C1(C#N)CCCCC1 ZINC001609250566 1098223908 /nfs/dbraw/zinc/22/39/08/1098223908.db2.gz OYYBRJMCCXQPDT-UHFFFAOYSA-N -1 3 325.372 2.809 20 30 EFEDHM CN(C(=S)Nc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001609263170 1098232432 /nfs/dbraw/zinc/23/24/32/1098232432.db2.gz XGXDRKFCELBYFK-UHFFFAOYSA-N -1 3 335.396 2.572 20 30 EFEDHM CN(C(=S)Nc1ccccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001609263170 1098232436 /nfs/dbraw/zinc/23/24/36/1098232436.db2.gz XGXDRKFCELBYFK-UHFFFAOYSA-N -1 3 335.396 2.572 20 30 EFEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1c(F)cc(C#N)cc1F ZINC001609280373 1098237480 /nfs/dbraw/zinc/23/74/80/1098237480.db2.gz VSUXEDDABGDSGY-UHFFFAOYSA-N -1 3 326.310 2.653 20 30 EFEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1c(F)cc(C#N)cc1F ZINC001609280373 1098237482 /nfs/dbraw/zinc/23/74/82/1098237482.db2.gz VSUXEDDABGDSGY-UHFFFAOYSA-N -1 3 326.310 2.653 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccccc3-c3nnn[n-]3)ccc21 ZINC001609285543 1098237487 /nfs/dbraw/zinc/23/74/87/1098237487.db2.gz DNIFDDAEKYHKBD-CLFYSBASSA-N -1 3 331.379 2.755 20 30 EFEDHM CN1CCc2cc(C=CC(=O)c3ccccc3-c3nn[n-]n3)ccc21 ZINC001609285543 1098237489 /nfs/dbraw/zinc/23/74/89/1098237489.db2.gz DNIFDDAEKYHKBD-CLFYSBASSA-N -1 3 331.379 2.755 20 30 EFEDHM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609303079 1098240618 /nfs/dbraw/zinc/24/06/18/1098240618.db2.gz ZKFCJWSKZKTMGD-NYYWCZLTSA-N -1 3 334.335 2.549 20 30 EFEDHM COC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609303079 1098240621 /nfs/dbraw/zinc/24/06/21/1098240621.db2.gz ZKFCJWSKZKTMGD-NYYWCZLTSA-N -1 3 334.335 2.549 20 30 EFEDHM COCCCCN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609322701 1098248367 /nfs/dbraw/zinc/24/83/67/1098248367.db2.gz DOMGGUOHZWOPBH-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM COCCCCN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609322701 1098248372 /nfs/dbraw/zinc/24/83/72/1098248372.db2.gz DOMGGUOHZWOPBH-UHFFFAOYSA-N -1 3 328.298 2.710 20 30 EFEDHM COCCN(CC#N)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC001609324381 1098248451 /nfs/dbraw/zinc/24/84/51/1098248451.db2.gz WFDBOSLPUGJFJB-UHFFFAOYSA-N -1 3 348.410 2.506 20 30 EFEDHM COCCN(CC#N)Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC001609324381 1098248458 /nfs/dbraw/zinc/24/84/58/1098248458.db2.gz WFDBOSLPUGJFJB-UHFFFAOYSA-N -1 3 348.410 2.506 20 30 EFEDHM COc1cc(C=C2CCOc3ccccc3C2=O)ccc1-c1nnn[n-]1 ZINC001609340299 1098255172 /nfs/dbraw/zinc/25/51/72/1098255172.db2.gz DXZWIMRDBGYRQZ-RAXLEYEMSA-N -1 3 348.362 2.924 20 30 EFEDHM COc1cc(C=C2CCOc3ccccc3C2=O)ccc1-c1nn[n-]n1 ZINC001609340299 1098255180 /nfs/dbraw/zinc/25/51/80/1098255180.db2.gz DXZWIMRDBGYRQZ-RAXLEYEMSA-N -1 3 348.362 2.924 20 30 EFEDHM COc1cccc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)c1F ZINC001609360657 1098265108 /nfs/dbraw/zinc/26/51/08/1098265108.db2.gz GWCMPGGZFMMVLJ-JYRVWZFOSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)c1F ZINC001609360657 1098265112 /nfs/dbraw/zinc/26/51/12/1098265112.db2.gz GWCMPGGZFMMVLJ-JYRVWZFOSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nnn[n-]3)cc1)C2=O ZINC001609362645 1098268130 /nfs/dbraw/zinc/26/81/30/1098268130.db2.gz BZNRTWFJFPOTHD-UKTHLTGXSA-N -1 3 334.335 2.534 20 30 EFEDHM COc1cccc2c1OCC(=Cc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC001609362645 1098268135 /nfs/dbraw/zinc/26/81/35/1098268135.db2.gz BZNRTWFJFPOTHD-UKTHLTGXSA-N -1 3 334.335 2.534 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC001609379929 1098274644 /nfs/dbraw/zinc/27/46/44/1098274644.db2.gz XXQCLOAQGYTWAZ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C#N)cccc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC001609379929 1098274648 /nfs/dbraw/zinc/27/46/48/1098274648.db2.gz XXQCLOAQGYTWAZ-UHFFFAOYSA-N -1 3 337.314 2.543 20 30 EFEDHM Cc1c(C(=O)O[C@H]2CC[C@@](C)(C#N)CC2)cccc1-c1nnn[n-]1 ZINC001609382499 1098276504 /nfs/dbraw/zinc/27/65/04/1098276504.db2.gz FHLXMNFPUKLKME-LAUQKZGBSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1c(C(=O)O[C@H]2CC[C@@](C)(C#N)CC2)cccc1-c1nn[n-]n1 ZINC001609382499 1098276509 /nfs/dbraw/zinc/27/65/09/1098276509.db2.gz FHLXMNFPUKLKME-LAUQKZGBSA-N -1 3 325.372 2.804 20 30 EFEDHM Cc1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)oc1C ZINC001609393305 1098284277 /nfs/dbraw/zinc/28/42/77/1098284277.db2.gz MMXMTJCEOYFKPV-PLNGDYQASA-N -1 3 334.339 2.620 20 30 EFEDHM Cc1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)oc1C ZINC001609393305 1098284283 /nfs/dbraw/zinc/28/42/83/1098284283.db2.gz MMXMTJCEOYFKPV-PLNGDYQASA-N -1 3 334.339 2.620 20 30 EFEDHM Cc1cc(C=CC(=O)c2c[nH]c3ncccc23)ccc1-c1nn[n-]n1 ZINC001609399640 1098289513 /nfs/dbraw/zinc/28/95/13/1098289513.db2.gz JFKMGQKZAIVQIU-ALCCZGGFSA-N -1 3 330.351 2.948 20 30 EFEDHM Cc1cc(Oc2c(C#N)cccc2-c2nnn[n-]2)c(F)cc1[N+](=O)[O-] ZINC001609411344 1098299345 /nfs/dbraw/zinc/29/93/45/1098299345.db2.gz BMAVIBBJAQXVJG-UHFFFAOYSA-N -1 3 340.274 2.886 20 30 EFEDHM Cc1cc(Oc2c(C#N)cccc2-c2nn[n-]n2)c(F)cc1[N+](=O)[O-] ZINC001609411344 1098299349 /nfs/dbraw/zinc/29/93/49/1098299349.db2.gz BMAVIBBJAQXVJG-UHFFFAOYSA-N -1 3 340.274 2.886 20 30 EFEDHM Cc1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC001609425333 1098311996 /nfs/dbraw/zinc/31/19/96/1098311996.db2.gz KODSFRUSAUHNIV-INIZCTEOSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1ccc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC001609425333 1098311999 /nfs/dbraw/zinc/31/19/99/1098311999.db2.gz KODSFRUSAUHNIV-INIZCTEOSA-N -1 3 346.394 2.805 20 30 EFEDHM Cc1nc(N(CCC#N)CCC(C)C)c(Cl)cc1-c1nnn[n-]1 ZINC001609451164 1098330303 /nfs/dbraw/zinc/33/03/03/1098330303.db2.gz INWOXGIIXDYJFS-UHFFFAOYSA-N -1 3 333.827 2.990 20 30 EFEDHM Cc1nc(N(CCC#N)CCC(C)C)c(Cl)cc1-c1nn[n-]n1 ZINC001609451164 1098330310 /nfs/dbraw/zinc/33/03/10/1098330310.db2.gz INWOXGIIXDYJFS-UHFFFAOYSA-N -1 3 333.827 2.990 20 30 EFEDHM Cc1nc(F)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001609450730 1098330751 /nfs/dbraw/zinc/33/07/51/1098330751.db2.gz SNTNXEQENHPSHO-UTCJRWHESA-N -1 3 327.294 2.744 20 30 EFEDHM Cc1nc(F)ccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001609450730 1098330760 /nfs/dbraw/zinc/33/07/60/1098330760.db2.gz SNTNXEQENHPSHO-UTCJRWHESA-N -1 3 327.294 2.744 20 30 EFEDHM Clc1cc(NN=Cc2cccc3c[nH]nc32)ccc1-c1nnn[n-]1 ZINC001609472805 1098344859 /nfs/dbraw/zinc/34/48/59/1098344859.db2.gz PYJIYIMBBAWXDQ-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM Clc1cc(NN=Cc2cccc3c[nH]nc32)ccc1-c1nn[n-]n1 ZINC001609472805 1098344869 /nfs/dbraw/zinc/34/48/69/1098344869.db2.gz PYJIYIMBBAWXDQ-UHFFFAOYSA-N -1 3 338.762 2.842 20 30 EFEDHM N#CC1(CCSCc2ncc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001609494100 1098360528 /nfs/dbraw/zinc/36/05/28/1098360528.db2.gz VEHDXHRDLNJWMF-UHFFFAOYSA-N -1 3 329.433 2.754 20 30 EFEDHM N#CC1(CCSCc2ncc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001609494100 1098360536 /nfs/dbraw/zinc/36/05/36/1098360536.db2.gz VEHDXHRDLNJWMF-UHFFFAOYSA-N -1 3 329.433 2.754 20 30 EFEDHM N#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NC2CC2)cc1 ZINC001609498801 1098362101 /nfs/dbraw/zinc/36/21/01/1098362101.db2.gz OTXKKWXNNNFAHI-UHFFFAOYSA-N -1 3 345.366 2.565 20 30 EFEDHM N#CCn1c(C=Cc2cccc(-c3nnn[n-]3)c2)nc2ccccc21 ZINC001609496451 1098362141 /nfs/dbraw/zinc/36/21/41/1098362141.db2.gz NBCOUMJCKJVRKJ-HJWRWDBZSA-N -1 3 327.351 2.910 20 30 EFEDHM N#CCn1c(C=Cc2cccc(-c3nn[n-]n3)c2)nc2ccccc21 ZINC001609496451 1098362148 /nfs/dbraw/zinc/36/21/48/1098362148.db2.gz NBCOUMJCKJVRKJ-HJWRWDBZSA-N -1 3 327.351 2.910 20 30 EFEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H](Nc2ccccc2)C1 ZINC001609499975 1098364095 /nfs/dbraw/zinc/36/40/95/1098364095.db2.gz SIACIVHDCQHPOD-INIZCTEOSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H](Nc2ccccc2)C1 ZINC001609499975 1098364105 /nfs/dbraw/zinc/36/41/05/1098364105.db2.gz SIACIVHDCQHPOD-INIZCTEOSA-N -1 3 345.410 2.819 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609499450 1098364277 /nfs/dbraw/zinc/36/42/77/1098364277.db2.gz QPTAOJUUQIXPTK-OAHLLOKOSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001609499449 1098364295 /nfs/dbraw/zinc/36/42/95/1098364295.db2.gz QPTAOJUUQIXPTK-HNNXBMFYSA-N -1 3 347.338 2.746 20 30 EFEDHM N#Cc1ccsc1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609500566 1098364742 /nfs/dbraw/zinc/36/47/42/1098364742.db2.gz JKHPKAKNDGHXBD-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM N#Cc1ccsc1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609500566 1098364749 /nfs/dbraw/zinc/36/47/49/1098364749.db2.gz JKHPKAKNDGHXBD-UHFFFAOYSA-N -1 3 330.760 2.706 20 30 EFEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc([N+](=O)[O-])ccc1F ZINC001609517732 1098364965 /nfs/dbraw/zinc/36/49/65/1098364965.db2.gz LCVNGXQSORDLGM-RQOWECAXSA-N -1 3 345.315 2.872 20 30 EFEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc([N+](=O)[O-])ccc1F ZINC001609517732 1098364969 /nfs/dbraw/zinc/36/49/69/1098364969.db2.gz LCVNGXQSORDLGM-RQOWECAXSA-N -1 3 345.315 2.872 20 30 EFEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccccc2)c1 ZINC001609517548 1098366498 /nfs/dbraw/zinc/36/64/98/1098366498.db2.gz CKDYCOCRXDQZBW-MDZDMXLPSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2ccccc2)c1 ZINC001609517548 1098366507 /nfs/dbraw/zinc/36/65/07/1098366507.db2.gz CKDYCOCRXDQZBW-MDZDMXLPSA-N -1 3 342.362 2.949 20 30 EFEDHM c1ccc([C@H]2CCCC2=NNCc2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001609616354 1098402299 /nfs/dbraw/zinc/40/22/99/1098402299.db2.gz FRVWWZNHDUMOCV-OAHLLOKOSA-N -1 3 333.399 2.675 20 30 EFEDHM c1ccc([C@H]2CCCC2=NNCc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001609616354 1098402303 /nfs/dbraw/zinc/40/23/03/1098402303.db2.gz FRVWWZNHDUMOCV-OAHLLOKOSA-N -1 3 333.399 2.675 20 30 EFEDHM C=CCNC(=O)[C@H]1CC12CCN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC001269982398 1098558022 /nfs/dbraw/zinc/55/80/22/1098558022.db2.gz CKFYGJVINYLXNF-CQSZACIVSA-N -1 3 348.830 2.590 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cc([O-])ccc2Cl)C1=O ZINC001269987112 1098569101 /nfs/dbraw/zinc/56/91/01/1098569101.db2.gz JLDBZCWJFFTYEU-GOSISDBHSA-N -1 3 348.830 2.829 20 30 EFEDHM COCCN(Cc1ccc(C#N)cc1)Cc1ccccc1CC(=O)[O-] ZINC001610260423 1098590258 /nfs/dbraw/zinc/59/02/58/1098590258.db2.gz WQBMIDUCLPOTSK-UHFFFAOYSA-N -1 3 338.407 2.834 20 30 EFEDHM N#CC1(C(=O)[O-])CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001610617701 1098786730 /nfs/dbraw/zinc/78/67/30/1098786730.db2.gz KNSNTOQYPMPADF-UHFFFAOYSA-N -1 3 327.428 2.867 20 30 EFEDHM N#Cc1ccc(CN2CCCN(Cc3ccoc3C(=O)[O-])CC2)cc1 ZINC001610628227 1098794634 /nfs/dbraw/zinc/79/46/34/1098794634.db2.gz SNGIYFWVLZCMPY-UHFFFAOYSA-N -1 3 339.395 2.557 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001629344253 1100201930 /nfs/dbraw/zinc/20/19/30/1100201930.db2.gz VIZMQSXYKUGHSW-UHFFFAOYSA-N -1 3 346.394 2.844 20 30 EFEDHM CC(C)(C#N)c1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001629344253 1100201941 /nfs/dbraw/zinc/20/19/41/1100201941.db2.gz VIZMQSXYKUGHSW-UHFFFAOYSA-N -1 3 346.394 2.844 20 30 EFEDHM N#Cc1ccc(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)cc1 ZINC001629658064 1100233690 /nfs/dbraw/zinc/23/36/90/1100233690.db2.gz IETGRJMVEFYHSP-UHFFFAOYSA-N -1 3 337.766 2.983 20 30 EFEDHM N#Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cnc1C(F)(F)F ZINC001637294612 1100771640 /nfs/dbraw/zinc/77/16/40/1100771640.db2.gz RNOXXYVATBWHAA-UHFFFAOYSA-N -1 3 347.256 2.806 20 30 EFEDHM C=CCN1CC[C@@]2(CCCN(C(=O)c3c(C)cccc3[O-])CC2)C1=O ZINC001271653121 1102213526 /nfs/dbraw/zinc/21/35/26/1102213526.db2.gz ORFARVAPTSGOGE-FQEVSTJZSA-N -1 3 342.439 2.731 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1sc([C@H]2CCOC2)nc1C ZINC001649251429 1102262751 /nfs/dbraw/zinc/26/27/51/1102262751.db2.gz XRFFLEZPDROXHB-NWDGAFQWSA-N -1 3 330.413 2.662 20 30 EFEDHM CCn1ccnc1C(C#N)=C([O-])c1sc([C@@H]2CCOC2)nc1C ZINC001649251432 1102263483 /nfs/dbraw/zinc/26/34/83/1102263483.db2.gz XRFFLEZPDROXHB-VXGBXAGGSA-N -1 3 330.413 2.662 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCO2)Nc1nnc(C(F)(F)F)[n-]1 ZINC000072673347 1102334030 /nfs/dbraw/zinc/33/40/30/1102334030.db2.gz SSGPJCQRJCLCIQ-DUXPYHPUSA-N -1 3 326.234 2.854 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)OCO2)Nc1nc(C(F)(F)F)n[n-]1 ZINC000072673347 1102334045 /nfs/dbraw/zinc/33/40/45/1102334045.db2.gz SSGPJCQRJCLCIQ-DUXPYHPUSA-N -1 3 326.234 2.854 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001659653516 1102556613 /nfs/dbraw/zinc/55/66/13/1102556613.db2.gz DRPIGESAMGQFCF-UHFFFAOYSA-N -1 3 333.355 2.615 20 30 EFEDHM Cc1ccc(C#N)cc1NC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001659653516 1102556618 /nfs/dbraw/zinc/55/66/18/1102556618.db2.gz DRPIGESAMGQFCF-UHFFFAOYSA-N -1 3 333.355 2.615 20 30 EFEDHM N#CCc1ccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001666431652 1104943034 /nfs/dbraw/zinc/94/30/34/1104943034.db2.gz JYDGFIQQTJFJFQ-UHFFFAOYSA-N -1 3 333.355 2.501 20 30 EFEDHM N#CCc1ccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001666431652 1104943037 /nfs/dbraw/zinc/94/30/37/1104943037.db2.gz JYDGFIQQTJFJFQ-UHFFFAOYSA-N -1 3 333.355 2.501 20 30 EFEDHM N#CCNCC1([C@@H]2CCCCN2C(=O)c2ccccc2[O-])CCC1 ZINC001105508763 1105848968 /nfs/dbraw/zinc/84/89/68/1105848968.db2.gz JWUPXWCXJSJAGV-KRWDZBQOSA-N -1 3 327.428 2.670 20 30 EFEDHM C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142520516 1106108987 /nfs/dbraw/zinc/10/89/87/1106108987.db2.gz LFSYUQNUVNORQN-KBXCAEBGSA-N -1 3 339.382 2.997 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC000898096059 1106241026 /nfs/dbraw/zinc/24/10/26/1106241026.db2.gz MUQYCWDDIURCSD-UHFFFAOYSA-N -1 3 325.368 2.528 20 30 EFEDHM C#Cc1ccccc1CC(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC000898096059 1106241031 /nfs/dbraw/zinc/24/10/31/1106241031.db2.gz MUQYCWDDIURCSD-UHFFFAOYSA-N -1 3 325.368 2.528 20 30 EFEDHM N#Cc1ccc(NC[C@H]2CCCN(C(=O)c3ccccc3[O-])C2)cn1 ZINC001059994030 1106524822 /nfs/dbraw/zinc/52/48/22/1106524822.db2.gz CRMDEUKGNACGMN-CQSZACIVSA-N -1 3 336.395 2.623 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cc(CC)ccc2[O-])C1=O ZINC001272211673 1107317558 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CCCCN([O-])C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000904209136 1107699305 /nfs/dbraw/zinc/69/93/05/1107699305.db2.gz VPOHFDKRBCWZPH-LLVKDONJSA-N -1 3 326.340 2.609 20 30 EFEDHM CCCCN([O-])C(=O)[C@@H]1CCCN1C(=O)c1ccccc1OCC ZINC000904208735 1107699739 /nfs/dbraw/zinc/69/97/39/1107699739.db2.gz JEMMARHUFKRVOD-HNNXBMFYSA-N -1 3 334.416 2.708 20 30 EFEDHM CCc1n[nH]c(=O)c(C(=O)N([O-])Cc2ccccc2Cl)c1CC ZINC000904191404 1107702455 /nfs/dbraw/zinc/70/24/55/1107702455.db2.gz WYNILIOQZGPHBX-UHFFFAOYSA-N -1 3 335.791 2.992 20 30 EFEDHM Cc1nc(N[C@H](C)C[C@@H](C)NC(=O)c2ccccc2[O-])ccc1C#N ZINC001089244004 1108163941 /nfs/dbraw/zinc/16/39/41/1108163941.db2.gz LTGOPQGJLBCUHS-CHWSQXEVSA-N -1 3 338.411 2.976 20 30 EFEDHM C[C@H](C[C@H](C)Nc1ncc(C#N)cc1F)NC(=O)c1ccccc1[O-] ZINC001089244917 1108168972 /nfs/dbraw/zinc/16/89/72/1108168972.db2.gz SZWHMHBFJUWKHF-NWDGAFQWSA-N -1 3 342.374 2.807 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N/CC1CC2(C1)OCCO2 ZINC000899227693 1109252359 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Cc1ccc(OCc2ccc(C(=O)N=C3[N-]C(=O)CN3)o2)c(C)c1 ZINC000054100839 238764975 /nfs/dbraw/zinc/76/49/75/238764975.db2.gz JLEKSXIIBWRIBP-UHFFFAOYSA-N -1 3 327.340 2.531 20 30 EFEDHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)s1 ZINC000157824972 239000200 /nfs/dbraw/zinc/00/02/00/239000200.db2.gz FEXLWWVTZIWDOL-JTQLQIEISA-N -1 3 338.429 2.977 20 30 EFEDHM N#CCC[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000163544151 239108793 /nfs/dbraw/zinc/10/87/93/239108793.db2.gz IYSZAHVMIFZBHT-INIZCTEOSA-N -1 3 348.362 2.737 20 30 EFEDHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CC1)c1nc(C(C)(C)C)cs1 ZINC000165209707 239119638 /nfs/dbraw/zinc/11/96/38/239119638.db2.gz DRCQHNFVVIKUNR-SNVBAGLBSA-N -1 3 327.475 2.725 20 30 EFEDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C#N)sc1Br ZINC000167052351 239125316 /nfs/dbraw/zinc/12/53/16/239125316.db2.gz ZWPGHDSTXKBLIZ-UHFFFAOYSA-N -1 3 337.264 2.647 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2ccn(C)c21 ZINC000191579383 239196190 /nfs/dbraw/zinc/19/61/90/239196190.db2.gz 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Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000442808829 250124021 /nfs/dbraw/zinc/12/40/21/250124021.db2.gz IQZLPSTWLWKPDA-ZDUSSCGKSA-N -1 3 348.399 2.752 20 30 EFEDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)c(C)c1 ZINC000443017432 250151864 /nfs/dbraw/zinc/15/18/64/250151864.db2.gz LNRMRARNKSOFBP-UHFFFAOYSA-N -1 3 332.400 2.835 20 30 EFEDHM CN(CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccccc1 ZINC000443089432 250160219 /nfs/dbraw/zinc/16/02/19/250160219.db2.gz DNHOEMTXIREHMA-UHFFFAOYSA-N -1 3 349.843 2.626 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000443096700 250160799 /nfs/dbraw/zinc/16/07/99/250160799.db2.gz WJOXCNXIOBRFPY-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000443109131 250161617 /nfs/dbraw/zinc/16/16/17/250161617.db2.gz XTZKKLSNWNGTGP-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC000443141552 250164219 /nfs/dbraw/zinc/16/42/19/250164219.db2.gz 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EFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(F)cc1F ZINC000344551807 142039262 /nfs/dbraw/zinc/03/92/62/142039262.db2.gz FLCXZCRKKPOCMJ-ZDUSSCGKSA-N -1 3 326.324 2.859 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)c(Cl)c1 ZINC000344954129 142102694 /nfs/dbraw/zinc/10/26/94/142102694.db2.gz OFPAYFHIIGIITA-UHFFFAOYSA-N -1 3 338.738 2.831 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C(F)(F)F)CCC1 ZINC000349528005 142335416 /nfs/dbraw/zinc/33/54/16/142335416.db2.gz UVLWYHCYLQCKEB-UHFFFAOYSA-N -1 3 341.333 2.810 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000349798473 142360824 /nfs/dbraw/zinc/36/08/24/142360824.db2.gz IGZMXWYYUYBBSY-VIFPVBQESA-N -1 3 339.829 2.634 20 30 EFEDHM CC[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccc(F)cc1F ZINC000352268429 142457676 /nfs/dbraw/zinc/45/76/76/142457676.db2.gz XLUZEIHCPYHQCV-OAHLLOKOSA-N -1 3 337.351 2.661 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c(C(F)(F)F)c1 ZINC000339116667 144693792 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N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC(=O)c3ccccc32)c1 ZINC000356580991 147282438 /nfs/dbraw/zinc/28/24/38/147282438.db2.gz QBMRADXHQCNZHY-AWEZNQCLSA-N -1 3 346.795 2.818 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000356703735 147314217 /nfs/dbraw/zinc/31/42/17/147314217.db2.gz ATWPYHIGUIGHIH-ZETCQYMHSA-N -1 3 326.727 2.688 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cncc(F)c1 ZINC000359208489 148023734 /nfs/dbraw/zinc/02/37/34/148023734.db2.gz TYRKYEMNFQMUSO-VIFPVBQESA-N -1 3 339.779 2.785 20 30 EFEDHM N#Cc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)cc1Cl ZINC000359458026 148089733 /nfs/dbraw/zinc/08/97/33/148089733.db2.gz KHPRRBGSAIXJOK-UHFFFAOYSA-N -1 3 344.684 2.670 20 30 EFEDHM N#Cc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)cc1Cl ZINC000359458026 148089736 /nfs/dbraw/zinc/08/97/36/148089736.db2.gz KHPRRBGSAIXJOK-UHFFFAOYSA-N -1 3 344.684 2.670 20 30 EFEDHM N#Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC000359458026 148089740 /nfs/dbraw/zinc/08/97/40/148089740.db2.gz 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270025626 /nfs/dbraw/zinc/02/56/26/270025626.db2.gz YYGVVNKYBNPBLW-UHFFFAOYSA-N -1 3 341.798 2.880 20 30 EFEDHM N#Cc1cc(F)c(N2CCN(C(=O)c3cccc([O-])c3)CC2)c(F)c1 ZINC000301425449 270025655 /nfs/dbraw/zinc/02/56/55/270025655.db2.gz TYCVLIGBQGOAOO-UHFFFAOYSA-N -1 3 343.333 2.504 20 30 EFEDHM N#Cc1cccc(C#N)c1N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000302851157 270026129 /nfs/dbraw/zinc/02/61/29/270026129.db2.gz PXVOLWXREZCASX-UHFFFAOYSA-N -1 3 346.390 2.991 20 30 EFEDHM Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(OCCN(C)C)c1 ZINC000188690888 265147428 /nfs/dbraw/zinc/14/74/28/265147428.db2.gz NMPFQCZGQMUVQT-UHFFFAOYSA-N -1 3 339.395 2.765 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000269897524 265574806 /nfs/dbraw/zinc/57/48/06/265574806.db2.gz YKALWYBCEBECTH-UHFFFAOYSA-N -1 3 326.727 2.832 20 30 EFEDHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000330768849 265912891 /nfs/dbraw/zinc/91/28/91/265912891.db2.gz YRVCFFYSXZBZOZ-GXTWGEPZSA-N -1 3 342.848 2.694 20 30 EFEDHM CCC1([N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000332493183 266015932 /nfs/dbraw/zinc/01/59/32/266015932.db2.gz XLZGQFHAQOMEJD-UHFFFAOYSA-N -1 3 343.246 2.932 20 30 EFEDHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000331233909 266348203 /nfs/dbraw/zinc/34/82/03/266348203.db2.gz SDYUSHRTUGXBGA-RYUDHWBXSA-N -1 3 330.500 2.962 20 30 EFEDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)OC ZINC000362974932 266367862 /nfs/dbraw/zinc/36/78/62/266367862.db2.gz CELGLMXMKBBLNW-MFKMUULPSA-N -1 3 330.837 2.551 20 30 EFEDHM COc1ccc([C@H](CC(=O)[O-])NCc2cccc(C#N)c2)cc1OC ZINC000277359631 267163910 /nfs/dbraw/zinc/16/39/10/267163910.db2.gz PULITWURPINZLL-INIZCTEOSA-N -1 3 340.379 2.881 20 30 EFEDHM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531367866 267181592 /nfs/dbraw/zinc/18/15/92/267181592.db2.gz DBBMTMGSPLUOGI-STQMWFEESA-N -1 3 328.434 2.650 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H]1Oc2ccccc2[C@H]1C ZINC000331853722 267186752 /nfs/dbraw/zinc/18/67/52/267186752.db2.gz 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ZINC000290956677 267622896 /nfs/dbraw/zinc/62/28/96/267622896.db2.gz PRSKVYUJUGDFPZ-JTQLQIEISA-N -1 3 337.370 2.712 20 30 EFEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(C#N)s2)c1 ZINC000487587444 268039622 /nfs/dbraw/zinc/03/96/22/268039622.db2.gz WUXDTBRKEUXPQU-UHFFFAOYSA-N -1 3 335.410 2.552 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1 ZINC000280409616 268099232 /nfs/dbraw/zinc/09/92/32/268099232.db2.gz AZRKBWCOCFXMDO-JTQLQIEISA-N -1 3 334.775 2.925 20 30 EFEDHM N#Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000301198596 268099889 /nfs/dbraw/zinc/09/98/89/268099889.db2.gz LLNQHLOSDGMRSV-UHFFFAOYSA-N -1 3 341.798 2.880 20 30 EFEDHM N#Cc1ccc(O[C@@H]2CCN(Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000367776874 268182676 /nfs/dbraw/zinc/18/26/76/268182676.db2.gz GRVVRJICBJVAQF-OAHLLOKOSA-N -1 3 329.787 2.966 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCC(C(N)=O)CC2)c(Cl)c1 ZINC000330767265 268197725 /nfs/dbraw/zinc/19/77/25/268197725.db2.gz WLBKRGOIHIUINW-UHFFFAOYSA-N -1 3 341.820 2.584 20 30 EFEDHM N#Cc1ccc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC000487204314 268204529 /nfs/dbraw/zinc/20/45/29/268204529.db2.gz XCRYPBTVWUHZFV-UHFFFAOYSA-N -1 3 345.336 2.942 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c(F)c1 ZINC000531382706 268256367 /nfs/dbraw/zinc/25/63/67/268256367.db2.gz YGNMMACTRARQDS-UHFFFAOYSA-N -1 3 343.383 2.700 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c(F)c1 ZINC000524148148 268257105 /nfs/dbraw/zinc/25/71/05/268257105.db2.gz GXELUATZKTWWIB-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM N#Cc1cccc(OC2CCN(C(=O)/C=C\c3cncc([O-])c3)CC2)c1 ZINC000492446424 268282840 /nfs/dbraw/zinc/28/28/40/268282840.db2.gz UMXCNNBSPFWKTO-PLNGDYQASA-N -1 3 349.390 2.742 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCC1 ZINC000277110694 268330905 /nfs/dbraw/zinc/33/09/05/268330905.db2.gz XWYGJQPQRXHCJA-QGZVFWFLSA-N -1 3 327.409 2.773 20 30 EFEDHM CCOC(=O)Nc1ccc(NC([O-])=NOC/C=C/Cl)cc1C#N ZINC000495999562 269664517 /nfs/dbraw/zinc/66/45/17/269664517.db2.gz WYAZBRPBQKTFCR-ZZXKWVIFSA-N -1 3 338.751 2.932 20 30 EFEDHM CCOC(=O)Nc1ccc(NC(=O)[N-]OC/C=C/Cl)cc1C#N ZINC000495999562 269664518 /nfs/dbraw/zinc/66/45/18/269664518.db2.gz WYAZBRPBQKTFCR-ZZXKWVIFSA-N -1 3 338.751 2.932 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c(F)cc(F)cc1F ZINC000072506427 292715348 /nfs/dbraw/zinc/71/53/48/292715348.db2.gz FKIZYVWCVHHTAZ-UHFFFAOYSA-N -1 3 349.312 2.852 20 30 EFEDHM CC1([N-]S(=O)(=O)c2ccc(C#N)cc2F)Cc2ccccc2C1 ZINC000092268251 292860664 /nfs/dbraw/zinc/86/06/64/292860664.db2.gz RYQMISLCIMDYHA-UHFFFAOYSA-N -1 3 330.384 2.533 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCCCC1 ZINC000121941393 292955644 /nfs/dbraw/zinc/95/56/44/292955644.db2.gz DMLGRUUSDRFJFU-NSHDSACASA-N -1 3 337.401 2.714 20 30 EFEDHM COCCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCC1 ZINC000124926071 293004196 /nfs/dbraw/zinc/00/41/96/293004196.db2.gz OANJXVMIIUUGSW-UHFFFAOYSA-N -1 3 340.420 2.573 20 30 EFEDHM N#Cc1cccc(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151547835 293293221 /nfs/dbraw/zinc/29/32/21/293293221.db2.gz GRYUUJCHOLDSBR-UHFFFAOYSA-N -1 3 331.169 2.956 20 30 EFEDHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156515375 293512903 /nfs/dbraw/zinc/51/29/03/293512903.db2.gz LYHYAFPSTHVORR-SWLSCSKDSA-N -1 3 340.420 2.571 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000156926987 293528103 /nfs/dbraw/zinc/52/81/03/293528103.db2.gz IKENIUXAXCEMMA-UHFFFAOYSA-N -1 3 329.356 2.657 20 30 EFEDHM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C1CC1 ZINC000416594317 294090663 /nfs/dbraw/zinc/09/06/63/294090663.db2.gz LXMDJRLAYATHHS-BMIGLBTASA-N -1 3 342.848 2.694 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C#N)c(Cl)c1Cl ZINC000331107866 295200654 /nfs/dbraw/zinc/20/06/54/295200654.db2.gz HAVGBYXQPPXGCE-IUCAKERBSA-N -1 3 349.239 2.973 20 30 EFEDHM C[C@@H]1OCC[C@]1(C)NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000329759319 297638515 /nfs/dbraw/zinc/63/85/15/297638515.db2.gz OSJUMPMZOARPPT-POJUEXTFSA-N -1 3 331.372 2.658 20 30 EFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1F ZINC000339127226 303180564 /nfs/dbraw/zinc/18/05/64/303180564.db2.gz IBCCHYUGMBBEIT-MNOVXSKESA-N -1 3 336.310 2.746 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)c(C(F)(F)F)c1 ZINC000344892476 303199593 /nfs/dbraw/zinc/19/95/93/303199593.db2.gz DXIASVGYWFQTIP-ZJUUUORDSA-N -1 3 336.310 2.746 20 30 EFEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)ccc1C ZINC000135375510 310654269 /nfs/dbraw/zinc/65/42/69/310654269.db2.gz NVFFERVPRUBBBD-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151071313 310678767 /nfs/dbraw/zinc/67/87/67/310678767.db2.gz QZOPZFWPWNNVHH-DOMZBBRYSA-N -1 3 340.420 2.571 20 30 EFEDHM O=C(/C=C/c1cc(Cl)ccc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000493476562 314370301 /nfs/dbraw/zinc/37/03/01/314370301.db2.gz DIFVCNIIGGLTOI-UXONFWTHSA-N -1 3 329.183 2.503 20 30 EFEDHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C[C@H](C)O1 ZINC000549235441 318170146 /nfs/dbraw/zinc/17/01/46/318170146.db2.gz XLEYIXXULNLVTL-RYUDHWBXSA-N -1 3 340.420 2.569 20 30 EFEDHM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2CN(C)C)cc1C#N ZINC000554611795 318329508 /nfs/dbraw/zinc/32/95/08/318329508.db2.gz ZCBHKZLCUJGCHD-UHFFFAOYSA-N -1 3 342.424 2.695 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2cccc(F)c2)c(F)c1 ZINC000564496785 318866428 /nfs/dbraw/zinc/86/64/28/318866428.db2.gz NTLSZAVCUAVXKP-ZFWWWQNUSA-N -1 3 334.347 2.671 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC1CC(F)(F)C1 ZINC000569081846 319346298 /nfs/dbraw/zinc/34/62/98/319346298.db2.gz WXKJWIOAJNWRIG-UHFFFAOYSA-N -1 3 337.370 2.760 20 30 EFEDHM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2cn([C@H]3CCOC3)nn2)s1 ZINC000573303493 319752666 /nfs/dbraw/zinc/75/26/66/319752666.db2.gz CZDZHYYKEVLAML-NSHDSACASA-N -1 3 345.428 2.722 20 30 EFEDHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000573698554 319791656 /nfs/dbraw/zinc/79/16/56/319791656.db2.gz BECKBSJDPVMGSF-UHFFFAOYSA-N -1 3 342.436 2.553 20 30 EFEDHM C#CCNC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000023210270 323212237 /nfs/dbraw/zinc/21/22/37/323212237.db2.gz MHGFLGKLNJPFRP-VIFPVBQESA-N -1 3 336.417 2.651 20 30 EFEDHM CC(C)OCCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000181849602 323253148 /nfs/dbraw/zinc/25/31/48/323253148.db2.gz KDNNYVOYMCAGQX-UHFFFAOYSA-N -1 3 330.837 2.695 20 30 EFEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C(C)(C)O1 ZINC000183316772 323329450 /nfs/dbraw/zinc/32/94/50/323329450.db2.gz VFRYAYBUDIJPFL-ZDUSSCGKSA-N -1 3 342.848 2.836 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)c1 ZINC000580517845 324176662 /nfs/dbraw/zinc/17/66/62/324176662.db2.gz YLWAPGRCEBUXAQ-UHFFFAOYSA-N -1 3 337.788 2.556 20 30 EFEDHM N#Cc1ccc(Cc2cnc([N-]C(=O)c3cnns3)s2)cc1 ZINC000124038580 473207532 /nfs/dbraw/zinc/20/75/32/473207532.db2.gz JBUDIBXVYLYQOX-UHFFFAOYSA-N -1 3 327.394 2.709 20 30 EFEDHM O=C(COC[C@H]1CCCO1)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731317 473247050 /nfs/dbraw/zinc/24/70/50/473247050.db2.gz ANCJNSFTXKNIJZ-SECBINFHSA-N -1 3 338.314 2.534 20 30 EFEDHM O=C(COC[C@H]1CCCO1)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731317 473247053 /nfs/dbraw/zinc/24/70/53/473247053.db2.gz ANCJNSFTXKNIJZ-SECBINFHSA-N -1 3 338.314 2.534 20 30 EFEDHM O=C(COC[C@H]1CCCO1)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731317 473247056 /nfs/dbraw/zinc/24/70/56/473247056.db2.gz ANCJNSFTXKNIJZ-SECBINFHSA-N -1 3 338.314 2.534 20 30 EFEDHM N#Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1[O-] ZINC000190456168 473280449 /nfs/dbraw/zinc/28/04/49/473280449.db2.gz XNTLAKYWKPUMSA-SFHVURJKSA-N -1 3 335.407 2.658 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000190670342 473355843 /nfs/dbraw/zinc/35/58/43/473355843.db2.gz SLPHQMVEZSFFTF-VXGBXAGGSA-N -1 3 347.864 2.997 20 30 EFEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000190670309 473356165 /nfs/dbraw/zinc/35/61/65/473356165.db2.gz SLPHQMVEZSFFTF-NEPJUHHUSA-N -1 3 347.864 2.997 20 30 EFEDHM CC#CCCCC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000185236299 473372663 /nfs/dbraw/zinc/37/26/63/473372663.db2.gz UDAZXDXYJLAZNE-UHFFFAOYSA-N -1 3 338.429 2.589 20 30 EFEDHM CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000619744191 479871916 /nfs/dbraw/zinc/87/19/16/479871916.db2.gz YYFQIIHYFSGCAE-LBPRGKRZSA-N -1 3 347.396 2.522 20 30 EFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000285002457 474858688 /nfs/dbraw/zinc/85/86/88/474858688.db2.gz GGXFOVGQEMOKOX-LLVKDONJSA-N -1 3 339.269 2.917 20 30 EFEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)c(F)c1)CC(F)(F)F ZINC000416601430 477235164 /nfs/dbraw/zinc/23/51/64/477235164.db2.gz RWWFKGVPTNAPCR-VIFPVBQESA-N -1 3 338.326 2.954 20 30 EFEDHM Cc1nc(C)c(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000416658920 477253381 /nfs/dbraw/zinc/25/33/81/477253381.db2.gz GSKWDDABDISBGW-HNNXBMFYSA-N -1 3 347.465 2.988 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c(F)c1 ZINC000616420856 479903457 /nfs/dbraw/zinc/90/34/57/479903457.db2.gz BXQPYSKHIXMIKB-LLVKDONJSA-N -1 3 334.372 2.745 20 30 EFEDHM CCn1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000616482614 479922319 /nfs/dbraw/zinc/92/23/19/479922319.db2.gz GJTDFGUQNQLNLE-UHFFFAOYSA-N -1 3 340.427 2.688 20 30 EFEDHM CCOc1ccccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000005270091 471496784 /nfs/dbraw/zinc/49/67/84/471496784.db2.gz GGHZBRBTZMPAHU-UHFFFAOYSA-N -1 3 339.395 2.833 20 30 EFEDHM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000005291498 471497556 /nfs/dbraw/zinc/49/75/56/471497556.db2.gz PLJVYIZVKSPUJH-YDDPGSGASA-N -1 3 325.368 2.994 20 30 EFEDHM C=CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000008316832 471680630 /nfs/dbraw/zinc/68/06/30/471680630.db2.gz VMZVSVAPNOVCNV-UHFFFAOYSA-N -1 3 334.372 2.542 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)CCc1ccco1 ZINC000012946539 471808445 /nfs/dbraw/zinc/80/84/45/471808445.db2.gz CGJDHLDZGLSCPN-LBPRGKRZSA-N -1 3 341.411 2.527 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)c1ccccc1 ZINC000015534172 471908185 /nfs/dbraw/zinc/90/81/85/471908185.db2.gz WJGGFAMBBFNHLP-ZDUSSCGKSA-N -1 3 337.423 2.716 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000016597299 471943016 /nfs/dbraw/zinc/94/30/16/471943016.db2.gz ZTQDXODFNGGNCT-UHFFFAOYSA-N -1 3 338.411 2.501 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc(N2CCCC2=O)c1 ZINC000053525258 472017050 /nfs/dbraw/zinc/01/70/50/472017050.db2.gz WRNUXWAROSEDKY-UHFFFAOYSA-N -1 3 348.366 2.630 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(N2CCCC2=O)c1 ZINC000053525258 472017055 /nfs/dbraw/zinc/01/70/55/472017055.db2.gz WRNUXWAROSEDKY-UHFFFAOYSA-N -1 3 348.366 2.630 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc(N2CCCC2=O)c1 ZINC000053525258 472017059 /nfs/dbraw/zinc/01/70/59/472017059.db2.gz WRNUXWAROSEDKY-UHFFFAOYSA-N -1 3 348.366 2.630 20 30 EFEDHM Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000023450738 472033230 /nfs/dbraw/zinc/03/32/30/472033230.db2.gz AYUNTVUADRIGLX-UHFFFAOYSA-N -1 3 349.434 2.920 20 30 EFEDHM N#CCCCSc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1 ZINC000023561082 472034636 /nfs/dbraw/zinc/03/46/36/472034636.db2.gz PQOZVBPDXIXOQG-UHFFFAOYSA-N -1 3 343.412 2.500 20 30 EFEDHM C[S@](=O)Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041495208 472066574 /nfs/dbraw/zinc/06/65/74/472066574.db2.gz MHLKUAGZZABBEX-LFPIHBKWSA-N -1 3 337.404 2.931 20 30 EFEDHM COc1cc(OC)c(C([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000041519676 472067665 /nfs/dbraw/zinc/06/76/65/472067665.db2.gz NUPLODUIEIVPJT-NSHDSACASA-N -1 3 332.381 2.967 20 30 EFEDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000067917004 472109842 /nfs/dbraw/zinc/10/98/42/472109842.db2.gz QGLZBYKWZGFAJP-NSHDSACASA-N -1 3 345.403 2.937 20 30 EFEDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000067917004 472109845 /nfs/dbraw/zinc/10/98/45/472109845.db2.gz QGLZBYKWZGFAJP-NSHDSACASA-N -1 3 345.403 2.937 20 30 EFEDHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000067917004 472109849 /nfs/dbraw/zinc/10/98/49/472109849.db2.gz QGLZBYKWZGFAJP-NSHDSACASA-N -1 3 345.403 2.937 20 30 EFEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000067949841 472114060 /nfs/dbraw/zinc/11/40/60/472114060.db2.gz ZTKWWXDPSPEDCO-SSDOTTSWSA-N -1 3 337.626 2.683 20 30 EFEDHM Cc1cc(C(C#N)=C([O-])c2cccc(NC(=O)NC3CC3)c2)nc(C)n1 ZINC000054809052 472117716 /nfs/dbraw/zinc/11/77/16/472117716.db2.gz FKNCNRFWFOWQAH-INIZCTEOSA-N -1 3 349.394 2.867 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2c(c1)CCC2 ZINC000075602092 472166150 /nfs/dbraw/zinc/16/61/50/472166150.db2.gz GZPIXVUGIYYGEB-UHFFFAOYSA-N -1 3 349.434 2.601 20 30 EFEDHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000055676866 472223233 /nfs/dbraw/zinc/22/32/33/472223233.db2.gz HUNJRPPJEJWGNV-UHFFFAOYSA-N -1 3 349.799 2.971 20 30 EFEDHM O=C(Nc1nc(-c2cccnc2)cs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000029241655 472261933 /nfs/dbraw/zinc/26/19/33/472261933.db2.gz ZNVFWNABLHUJCD-UHFFFAOYSA-N -1 3 343.324 2.850 20 30 EFEDHM CC(=O)Nc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000029389053 472273054 /nfs/dbraw/zinc/27/30/54/472273054.db2.gz YWAHIOYHNAQSMZ-UHFFFAOYSA-N -1 3 327.266 2.613 20 30 EFEDHM CC(=O)Nc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000029389053 472273059 /nfs/dbraw/zinc/27/30/59/472273059.db2.gz YWAHIOYHNAQSMZ-UHFFFAOYSA-N -1 3 327.266 2.613 20 30 EFEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1ccc(C#N)cc1 ZINC000056049274 472276258 /nfs/dbraw/zinc/27/62/58/472276258.db2.gz WOYHNMMUAJNSGF-LBPRGKRZSA-N -1 3 345.380 2.814 20 30 EFEDHM O=C(CCCCc1ccc(Br)cc1)N=C1[N-]C(=O)CN1 ZINC000056214198 472294340 /nfs/dbraw/zinc/29/43/40/472294340.db2.gz RHDYXNPWJZCACN-UHFFFAOYSA-N -1 3 338.205 2.604 20 30 EFEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(N2CCOC2=O)c1 ZINC000076462170 472350209 /nfs/dbraw/zinc/35/02/09/472350209.db2.gz HYUZKAXYDBYVDX-UHFFFAOYSA-N -1 3 339.311 2.658 20 30 EFEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(N2CCOC2=O)c1 ZINC000076462170 472350212 /nfs/dbraw/zinc/35/02/12/472350212.db2.gz HYUZKAXYDBYVDX-UHFFFAOYSA-N -1 3 339.311 2.658 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(N2CCOC2=O)c1 ZINC000076462170 472350216 /nfs/dbraw/zinc/35/02/16/472350216.db2.gz HYUZKAXYDBYVDX-UHFFFAOYSA-N -1 3 339.311 2.658 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000045082267 472371998 /nfs/dbraw/zinc/37/19/98/472371998.db2.gz PZMQGQBNLIUBTD-YVEFUNNKSA-N -1 3 329.444 2.833 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCC)CCC)ccc1F ZINC000045357998 472396794 /nfs/dbraw/zinc/39/67/94/472396794.db2.gz RLDVANZXLIVCIR-UHFFFAOYSA-N -1 3 342.436 2.552 20 30 EFEDHM CNC(=O)c1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000076768189 472399928 /nfs/dbraw/zinc/39/99/28/472399928.db2.gz DFUMREDKAWPANE-CYBMUJFWSA-N -1 3 347.296 2.950 20 30 EFEDHM Cc1csc(C(C#N)=C([O-])c2cccc(N3CCNC3=O)c2C)n1 ZINC000076763106 472400063 /nfs/dbraw/zinc/40/00/63/472400063.db2.gz KXHNKKIXUPPYDC-CYBMUJFWSA-N -1 3 340.408 2.780 20 30 EFEDHM C=C(C)CNC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000154339100 472420732 /nfs/dbraw/zinc/42/07/32/472420732.db2.gz NJUOTCCEQWMOSY-UHFFFAOYSA-N -1 3 345.424 2.644 20 30 EFEDHM C=CC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000116859433 472444503 /nfs/dbraw/zinc/44/45/03/472444503.db2.gz FIPHZXYJEZLKLK-LLVKDONJSA-N -1 3 342.436 2.597 20 30 EFEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1n[n-]c(-c2ccccn2)n1 ZINC000117112889 472455608 /nfs/dbraw/zinc/45/56/08/472455608.db2.gz HEWQABKQGQPMLS-GFCCVEGCSA-N -1 3 331.445 2.772 20 30 EFEDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(Cl)c1 ZINC000057785576 472474573 /nfs/dbraw/zinc/47/45/73/472474573.db2.gz QQRJLURFYRGLOF-UHFFFAOYSA-N -1 3 349.799 2.971 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1CC(C)C ZINC000128654629 472479593 /nfs/dbraw/zinc/47/95/93/472479593.db2.gz NSJSAJBBWUIAAQ-HNNXBMFYSA-N -1 3 329.444 2.833 20 30 EFEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1C1CCOCC1 ZINC000155511856 472559529 /nfs/dbraw/zinc/55/95/29/472559529.db2.gz KELBEOFIGSQIRC-CQSZACIVSA-N -1 3 349.394 2.909 20 30 EFEDHM C=CCN(C(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccccc1 ZINC000071846342 472582490 /nfs/dbraw/zinc/58/24/90/472582490.db2.gz AENBMSABWGZTEQ-UHFFFAOYSA-N -1 3 349.390 2.711 20 30 EFEDHM O=C(Cc1ccc(-n2cccn2)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000046812251 472604036 /nfs/dbraw/zinc/60/40/36/472604036.db2.gz FMSBCJPLOSLMTO-UHFFFAOYSA-N -1 3 336.277 2.840 20 30 EFEDHM O=C(Cc1ccc(-n2cccn2)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000046812251 472604039 /nfs/dbraw/zinc/60/40/39/472604039.db2.gz FMSBCJPLOSLMTO-UHFFFAOYSA-N -1 3 336.277 2.840 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cnn(-c2ccccc2F)c1 ZINC000058827662 472604728 /nfs/dbraw/zinc/60/47/28/472604728.db2.gz CBSFUWLBLLPBJW-UHFFFAOYSA-N -1 3 349.329 2.828 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cnn(-c2ccccc2F)c1 ZINC000058827662 472604735 /nfs/dbraw/zinc/60/47/35/472604735.db2.gz CBSFUWLBLLPBJW-UHFFFAOYSA-N -1 3 349.329 2.828 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cnn(-c2ccccc2F)c1 ZINC000058827662 472604742 /nfs/dbraw/zinc/60/47/42/472604742.db2.gz CBSFUWLBLLPBJW-UHFFFAOYSA-N -1 3 349.329 2.828 20 30 EFEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1COc2ccc(F)cc2C1 ZINC000090394649 472612357 /nfs/dbraw/zinc/61/23/57/472612357.db2.gz VLTLGDFXMNRJCM-LLVKDONJSA-N -1 3 339.330 2.845 20 30 EFEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1COc2ccc(F)cc2C1 ZINC000090394649 472612361 /nfs/dbraw/zinc/61/23/61/472612361.db2.gz VLTLGDFXMNRJCM-LLVKDONJSA-N -1 3 339.330 2.845 20 30 EFEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1COc2ccc(F)cc2C1 ZINC000090394649 472612365 /nfs/dbraw/zinc/61/23/65/472612365.db2.gz VLTLGDFXMNRJCM-LLVKDONJSA-N -1 3 339.330 2.845 20 30 EFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000120114326 472633379 /nfs/dbraw/zinc/63/33/79/472633379.db2.gz WUGHTGBEKDWXMX-AWEZNQCLSA-N -1 3 325.430 2.871 20 30 EFEDHM C=CCCS(=O)(=O)[N-]c1ccc(C)cc1OC[C@H]1CCCO1 ZINC000120114463 472633637 /nfs/dbraw/zinc/63/36/37/472633637.db2.gz WUGHTGBEKDWXMX-CQSZACIVSA-N -1 3 325.430 2.871 20 30 EFEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)cc1OC ZINC000103504041 472639073 /nfs/dbraw/zinc/63/90/73/472639073.db2.gz GCXNPQKUHBSTEB-HNNXBMFYSA-N -1 3 338.363 2.973 20 30 EFEDHM C=CCCCCCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000156077309 472662597 /nfs/dbraw/zinc/66/25/97/472662597.db2.gz WCHIPJKOTYZVMR-UHFFFAOYSA-N -1 3 340.445 2.582 20 30 EFEDHM COc1cccc(COCC(=O)Nc2nnc(-c3ccco3)[n-]2)c1 ZINC000060615280 472671786 /nfs/dbraw/zinc/67/17/86/472671786.db2.gz UTQPHNOAYXUEQH-UHFFFAOYSA-N -1 3 328.328 2.878 20 30 EFEDHM COc1cccc(COCC(=O)Nc2nc(-c3ccco3)n[n-]2)c1 ZINC000060615280 472671792 /nfs/dbraw/zinc/67/17/92/472671792.db2.gz UTQPHNOAYXUEQH-UHFFFAOYSA-N -1 3 328.328 2.878 20 30 EFEDHM COc1cccc(COCC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000060615280 472671798 /nfs/dbraw/zinc/67/17/98/472671798.db2.gz UTQPHNOAYXUEQH-UHFFFAOYSA-N -1 3 328.328 2.878 20 30 EFEDHM CSc1nc(C2CC2)cc(C(=O)[N-]c2nnc(C)s2)c1C#N ZINC000078233225 472678233 /nfs/dbraw/zinc/67/82/33/472678233.db2.gz PHZFGVJRGZFMIW-UHFFFAOYSA-N -1 3 331.426 2.965 20 30 EFEDHM CC(C)COCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000156239154 472680658 /nfs/dbraw/zinc/68/06/58/472680658.db2.gz CRMNKZBCFYZMCT-UHFFFAOYSA-N -1 3 330.837 2.553 20 30 EFEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(F)cc1 ZINC000060961754 472684939 /nfs/dbraw/zinc/68/49/39/472684939.db2.gz SSRCRXLVUPGHEP-UHFFFAOYSA-N -1 3 341.386 2.988 20 30 EFEDHM CCc1cccc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1[O-] ZINC000131945970 472703562 /nfs/dbraw/zinc/70/35/62/472703562.db2.gz HZCYLXDVOAASBF-LJQANCHMSA-N -1 3 349.434 2.977 20 30 EFEDHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156515238 472717169 /nfs/dbraw/zinc/71/71/69/472717169.db2.gz LYHYAFPSTHVORR-IUODEOHRSA-N -1 3 340.420 2.571 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC[N-]C(=O)C(F)(F)F ZINC000091588169 472779491 /nfs/dbraw/zinc/77/94/91/472779491.db2.gz ZPKJSGQUKCHSRT-CABCVRRESA-N -1 3 339.361 2.827 20 30 EFEDHM C=CCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000121113171 472800367 /nfs/dbraw/zinc/80/03/67/472800367.db2.gz VYDKKTHUCBBFJA-SNVBAGLBSA-N -1 3 341.820 2.947 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000157328386 472809338 /nfs/dbraw/zinc/80/93/38/472809338.db2.gz PCFDLZWOKSQHQI-HNNXBMFYSA-N -1 3 334.347 2.802 20 30 EFEDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)cs1 ZINC000157477329 472826480 /nfs/dbraw/zinc/82/64/80/472826480.db2.gz IUAMHGUBPVKSCB-SECBINFHSA-N -1 3 339.417 2.756 20 30 EFEDHM CCCCc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]1 ZINC000064078689 472833193 /nfs/dbraw/zinc/83/31/93/472833193.db2.gz ZBHDDDPBFMQUNX-UHFFFAOYSA-N -1 3 341.415 2.500 20 30 EFEDHM C=CCN(C)[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000121327029 472836576 /nfs/dbraw/zinc/83/65/76/472836576.db2.gz BUZGPJPUJCVGOW-SNVBAGLBSA-N -1 3 335.429 2.649 20 30 EFEDHM N#C[C@H]1CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CCO1 ZINC000106292044 472838535 /nfs/dbraw/zinc/83/85/35/472838535.db2.gz MDYVTDHQIREUGY-KRWDZBQOSA-N -1 3 336.391 2.542 20 30 EFEDHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1ccccc1C#N)C(C)C ZINC000157608496 472839669 /nfs/dbraw/zinc/83/96/69/472839669.db2.gz KDRORJFUMWYHQX-MRXNPFEDSA-N -1 3 329.425 2.937 20 30 EFEDHM Cc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1C ZINC000048368248 472867387 /nfs/dbraw/zinc/86/73/87/472867387.db2.gz XUGHEOWLOKSGPQ-UHFFFAOYSA-N -1 3 349.434 2.839 20 30 EFEDHM O=C(CSCc1cccnc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000065060864 472895476 /nfs/dbraw/zinc/89/54/76/472895476.db2.gz MZFKZRAGHCPKJS-UHFFFAOYSA-N -1 3 326.385 2.783 20 30 EFEDHM O=C(CSCc1cccnc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000065060864 472895482 /nfs/dbraw/zinc/89/54/82/472895482.db2.gz MZFKZRAGHCPKJS-UHFFFAOYSA-N -1 3 326.385 2.783 20 30 EFEDHM O=C(CSCc1cccnc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000065060864 472895487 /nfs/dbraw/zinc/89/54/87/472895487.db2.gz MZFKZRAGHCPKJS-UHFFFAOYSA-N -1 3 326.385 2.783 20 30 EFEDHM O=C(Cc1ccc2c(c1)OCCO2)Nc1nnc(-c2ccco2)[n-]1 ZINC000073973084 472913586 /nfs/dbraw/zinc/91/35/86/472913586.db2.gz SDCBWRQRYJKOOG-UHFFFAOYSA-N -1 3 326.312 2.667 20 30 EFEDHM O=C(Cc1ccc2c(c1)OCCO2)Nc1nc(-c2ccco2)n[n-]1 ZINC000073973084 472913589 /nfs/dbraw/zinc/91/35/89/472913589.db2.gz SDCBWRQRYJKOOG-UHFFFAOYSA-N -1 3 326.312 2.667 20 30 EFEDHM O=C(Cc1ccc2c(c1)OCCO2)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973084 472913592 /nfs/dbraw/zinc/91/35/92/472913592.db2.gz SDCBWRQRYJKOOG-UHFFFAOYSA-N -1 3 326.312 2.667 20 30 EFEDHM N#CC(=C([O-])c1ccccc1OCC(N)=O)c1ccc2ccccc2n1 ZINC000048855187 472915236 /nfs/dbraw/zinc/91/52/36/472915236.db2.gz SABPCSHXFHLQRS-HNNXBMFYSA-N -1 3 345.358 2.589 20 30 EFEDHM C=CC[C@H](C)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000080098409 472975088 /nfs/dbraw/zinc/97/50/88/472975088.db2.gz PGTZEUJHCFTOFV-NSHDSACASA-N -1 3 345.424 2.724 20 30 EFEDHM N#Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000135054325 473012951 /nfs/dbraw/zinc/01/29/51/473012951.db2.gz DLVKPOUANFGLCE-UHFFFAOYSA-N -1 3 349.390 2.755 20 30 EFEDHM O=C(COCCOc1ccccc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051265993 473035880 /nfs/dbraw/zinc/03/58/80/473035880.db2.gz GAPHLFBTYCSQKC-UHFFFAOYSA-N -1 3 330.266 2.507 20 30 EFEDHM O=C(COCCOc1ccccc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051265993 473035882 /nfs/dbraw/zinc/03/58/82/473035882.db2.gz GAPHLFBTYCSQKC-UHFFFAOYSA-N -1 3 330.266 2.507 20 30 EFEDHM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000135362801 473062649 /nfs/dbraw/zinc/06/26/49/473062649.db2.gz ZDIBNUWPTXUKRY-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccccc2)no1 ZINC000109494516 473105021 /nfs/dbraw/zinc/10/50/21/473105021.db2.gz JOBCZOHWGHHXHA-UHFFFAOYSA-N -1 3 334.379 2.622 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc2ccccc2o1 ZINC000075117692 473129906 /nfs/dbraw/zinc/12/99/06/473129906.db2.gz POEWEJDUSDFXHM-UHFFFAOYSA-N -1 3 349.390 2.859 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)Cc1ccsc1 ZINC000075121862 473131320 /nfs/dbraw/zinc/13/13/20/473131320.db2.gz PMJFMRUTLAVADT-LLVKDONJSA-N -1 3 343.452 2.605 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)Cc1ccsc1 ZINC000075121860 473131412 /nfs/dbraw/zinc/13/14/12/473131412.db2.gz PMJFMRUTLAVADT-NSHDSACASA-N -1 3 343.452 2.605 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2ccn(C)c2c1 ZINC000075142135 473138303 /nfs/dbraw/zinc/13/83/03/473138303.db2.gz LMJUPLBTYHFSAQ-UHFFFAOYSA-N -1 3 348.406 2.926 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000075276774 473159338 /nfs/dbraw/zinc/15/93/38/473159338.db2.gz BMMJEFXKRZVWBQ-CYBMUJFWSA-N -1 3 348.406 2.545 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000075276773 473159745 /nfs/dbraw/zinc/15/97/45/473159745.db2.gz BMMJEFXKRZVWBQ-ZDUSSCGKSA-N -1 3 348.406 2.545 20 30 EFEDHM N#Cc1ccc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)c(F)c1 ZINC000150988513 473393076 /nfs/dbraw/zinc/39/30/76/473393076.db2.gz DKDCFWHBBJPQCT-UHFFFAOYSA-N -1 3 334.416 2.944 20 30 EFEDHM COc1cc(C#N)ccc1OCCCC(=O)[N-]OCCC(F)(F)F ZINC000162953648 473399855 /nfs/dbraw/zinc/39/98/55/473399855.db2.gz IEHRZQQOUAQUMH-UHFFFAOYSA-N -1 3 346.305 2.726 20 30 EFEDHM N#CC(=C([O-])c1ccc(-n2ccnn2)cc1)c1cnc2ccccc2n1 ZINC000190945542 473435991 /nfs/dbraw/zinc/43/59/91/473435991.db2.gz BRBYQZIRRZTDRV-OAHLLOKOSA-N -1 3 340.346 2.701 20 30 EFEDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cccc(C)c2C#N)s1 ZINC000125840660 473462388 /nfs/dbraw/zinc/46/23/88/473462388.db2.gz AHTQFLQINCWFLY-UHFFFAOYSA-N -1 3 335.454 2.845 20 30 EFEDHM C=CCOCCCC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151648894 473480868 /nfs/dbraw/zinc/48/08/68/473480868.db2.gz TVLRSWQLJUQMJR-UHFFFAOYSA-N -1 3 328.206 2.754 20 30 EFEDHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c([O-])c1C ZINC000114558104 473481421 /nfs/dbraw/zinc/48/14/21/473481421.db2.gz XHCOGXSNOONCFJ-SFHVURJKSA-N -1 3 349.434 2.859 20 30 EFEDHM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673325 473490983 /nfs/dbraw/zinc/49/09/83/473490983.db2.gz FYODIZXZCHMBFL-UHFFFAOYSA-N -1 3 348.355 2.593 20 30 EFEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000114736259 473500302 /nfs/dbraw/zinc/50/03/02/473500302.db2.gz JWMDNCXIFHLBAI-UHFFFAOYSA-N -1 3 338.392 2.853 20 30 EFEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000178507009 473523823 /nfs/dbraw/zinc/52/38/23/473523823.db2.gz FPFIOIVPERHQBZ-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccc(Cl)s1 ZINC000178514319 473524213 /nfs/dbraw/zinc/52/42/13/473524213.db2.gz PKTGYHIIYHALDO-UHFFFAOYSA-N -1 3 344.820 2.933 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c1 ZINC000185852990 473530840 /nfs/dbraw/zinc/53/08/40/473530840.db2.gz IBGDQMPTANBJAI-ZDUSSCGKSA-N -1 3 342.848 2.839 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c1 ZINC000185853009 473531125 /nfs/dbraw/zinc/53/11/25/473531125.db2.gz IBGDQMPTANBJAI-CYBMUJFWSA-N -1 3 342.848 2.839 20 30 EFEDHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)CO2 ZINC000126747357 473542026 /nfs/dbraw/zinc/54/20/26/473542026.db2.gz FVOKOWWSJCEVCR-CQSZACIVSA-N -1 3 348.811 2.932 20 30 EFEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000178670188 473543996 /nfs/dbraw/zinc/54/39/96/473543996.db2.gz BIXDLRQSSAMKJB-ZETCQYMHSA-N -1 3 337.626 2.683 20 30 EFEDHM N#CCCCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000178686580 473545320 /nfs/dbraw/zinc/54/53/20/473545320.db2.gz MWUHLWCXBKGPOF-UHFFFAOYSA-N -1 3 326.194 2.648 20 30 EFEDHM N#Cc1cc(F)c(N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(F)c1 ZINC000170604896 473562445 /nfs/dbraw/zinc/56/24/45/473562445.db2.gz MUIFATRZMUYGBD-UHFFFAOYSA-N -1 3 343.333 2.504 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000127288797 473596399 /nfs/dbraw/zinc/59/63/99/473596399.db2.gz KKUOLVUUUZWNJF-JZXOWHBKSA-N -1 3 342.395 2.562 20 30 EFEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000186436419 473674079 /nfs/dbraw/zinc/67/40/79/473674079.db2.gz BGWKDEDQDPGHFU-MRVPVSSYSA-N -1 3 337.228 2.973 20 30 EFEDHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000192573861 473693536 /nfs/dbraw/zinc/69/35/36/473693536.db2.gz JHAKORQCJUHVNX-AWEZNQCLSA-N -1 3 338.411 2.967 20 30 EFEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nccs1 ZINC000186682114 473727340 /nfs/dbraw/zinc/72/73/40/473727340.db2.gz CVIMTEJJBYEZEQ-VIFPVBQESA-N -1 3 341.845 2.750 20 30 EFEDHM COc1ccc2c(c1)[C@@H](/N=C/c1c([O-])c(C)ncc1CO)CCO2 ZINC000274360671 473792728 /nfs/dbraw/zinc/79/27/28/473792728.db2.gz WEOJWUFQYAQSRE-FCASDWRQSA-N -1 3 328.368 2.539 20 30 EFEDHM C=CCN1CCC(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180522388 473897426 /nfs/dbraw/zinc/89/74/26/473897426.db2.gz SJOPQAVOOSTNCG-UHFFFAOYSA-N -1 3 328.334 2.791 20 30 EFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000173740379 473922290 /nfs/dbraw/zinc/92/22/90/473922290.db2.gz NSMQGCBKRHREDZ-UHFFFAOYSA-N -1 3 344.289 2.593 20 30 EFEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1F ZINC000187831923 473928115 /nfs/dbraw/zinc/92/81/15/473928115.db2.gz VOWJLKSAYFKAAG-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM CCCCCCCCNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000270028910 473959710 /nfs/dbraw/zinc/95/97/10/473959710.db2.gz GRVRCVJLPSTAKY-LJQANCHMSA-N -1 3 345.443 2.832 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000180845299 473975515 /nfs/dbraw/zinc/97/55/15/473975515.db2.gz SHDDMKDXEJDLFG-LLVKDONJSA-N -1 3 331.409 2.866 20 30 EFEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000180850376 473976197 /nfs/dbraw/zinc/97/61/97/473976197.db2.gz AVVISZLYUSFQFZ-NSHDSACASA-N -1 3 328.390 2.627 20 30 EFEDHM CCCCCCCCNC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000270079215 473981533 /nfs/dbraw/zinc/98/15/33/473981533.db2.gz WULVHVVYLDMBNS-LJQANCHMSA-N -1 3 345.443 2.832 20 30 EFEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000288650763 474011983 /nfs/dbraw/zinc/01/19/83/474011983.db2.gz UMLFTLISCCCDCB-LLVKDONJSA-N -1 3 339.269 2.917 20 30 EFEDHM CC(C)(C)OC(=O)N1CCC[C@@H]1C/N=C/c1ccc(O)c([O-])c1O ZINC000264504171 474016387 /nfs/dbraw/zinc/01/63/87/474016387.db2.gz HEBVIQJVUGMJOG-KBSHCFNASA-N -1 3 336.388 2.622 20 30 EFEDHM C=CCCC[C@H](C)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000181418944 474034038 /nfs/dbraw/zinc/03/40/38/474034038.db2.gz COKZYCGFZAFOKN-HNNXBMFYSA-N -1 3 345.443 2.604 20 30 EFEDHM C=C[C@@](C)(CC)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000288950550 474100574 /nfs/dbraw/zinc/10/05/74/474100574.db2.gz PCGNCHJMLPYAGP-ROUUACIJSA-N -1 3 340.383 2.645 20 30 EFEDHM C=C[C@@](C)(CCOC)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000188556836 474128162 /nfs/dbraw/zinc/12/81/62/474128162.db2.gz HCDHZXHQFQVXGN-HNNXBMFYSA-N -1 3 342.233 3.000 20 30 EFEDHM CC(C)Oc1ccc([C@H](O)C/N=C/c2ccc(O)c([O-])c2O)cc1 ZINC000265226878 474170553 /nfs/dbraw/zinc/17/05/53/474170553.db2.gz UKFJGHAEWHTVGS-LEKRSAHOSA-N -1 3 331.368 2.743 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC000188922556 474235455 /nfs/dbraw/zinc/23/54/55/474235455.db2.gz RWWSPQJQUSFGAJ-SWLSCSKDSA-N -1 3 329.444 2.881 20 30 EFEDHM CCSCC[C@H](C)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000175597214 474258758 /nfs/dbraw/zinc/25/87/58/474258758.db2.gz XFGZGUYSJAMBRA-LBPRGKRZSA-N -1 3 349.500 2.786 20 30 EFEDHM N#Cc1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(F)c1 ZINC000289608152 474343751 /nfs/dbraw/zinc/34/37/51/474343751.db2.gz YDKYXTQGNSIKGK-LBPRGKRZSA-N -1 3 343.324 2.588 20 30 EFEDHM C=CCN(C(=O)C(=O)[N-]c1scc(C2CC2)c1C(=O)OC)C1CC1 ZINC000276210067 474453634 /nfs/dbraw/zinc/45/36/34/474453634.db2.gz WDQHALPWWDJEFB-UHFFFAOYSA-N -1 3 348.424 2.528 20 30 EFEDHM CC[C@]1(C/N=C\c2c([O-])c(C)ncc2CO)OCCc2ccccc21 ZINC000290539880 474576305 /nfs/dbraw/zinc/57/63/05/474576305.db2.gz LMOILMFPGDQLQZ-PBMUUGLVSA-N -1 3 340.423 2.885 20 30 EFEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N(CCC#N)CCC#N)c2=O ZINC000277285794 474581805 /nfs/dbraw/zinc/58/18/05/474581805.db2.gz CLSPLUJUXUGZOF-UHFFFAOYSA-N -1 3 326.331 2.657 20 30 EFEDHM C=CC[C@@H]1N(C(=O)CNC(=O)c2cccc([O-])c2)CCCC1(C)C ZINC000278181421 474602048 /nfs/dbraw/zinc/60/20/48/474602048.db2.gz QXGIBDQYLPIFSH-INIZCTEOSA-N -1 3 330.428 2.715 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2cc(F)cc(Cl)c2)c1[O-] ZINC000278317409 474607400 /nfs/dbraw/zinc/60/74/00/474607400.db2.gz SYLFXZKQTPTYBJ-CVWJYHMUSA-N -1 3 338.766 2.533 20 30 EFEDHM C=CCN(CCc1ccco1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000272426616 474610526 /nfs/dbraw/zinc/61/05/26/474610526.db2.gz IOVMIYUAIBAOEQ-UHFFFAOYSA-N -1 3 331.368 2.873 20 30 EFEDHM Cc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)ccc1[O-] ZINC000272437255 474612088 /nfs/dbraw/zinc/61/20/88/474612088.db2.gz MEMNTFIKUDNALJ-GOSISDBHSA-N -1 3 335.407 2.723 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2c(F)cccc2OC(F)F)c1[O-] ZINC000267706264 474679192 /nfs/dbraw/zinc/67/91/92/474679192.db2.gz SCNBNXOSYVPARL-CGOBSMCZSA-N -1 3 340.301 2.948 20 30 EFEDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(Cl)cc2C#N)s1 ZINC000609149779 480119687 /nfs/dbraw/zinc/11/96/87/480119687.db2.gz JXMJYBHVPHUHPD-UHFFFAOYSA-N -1 3 341.845 2.793 20 30 EFEDHM 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CC(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C)nn3)sc2C1 ZINC000297910811 475923546 /nfs/dbraw/zinc/92/35/46/475923546.db2.gz XIIFLMYLWMYFEO-SNVBAGLBSA-N -1 3 329.429 2.761 20 30 EFEDHM N#CC(=C([O-])c1ccnc(NC(=O)C2CC2)c1)c1nc2ccccc2[nH]1 ZINC000353418504 475952619 /nfs/dbraw/zinc/95/26/19/475952619.db2.gz FAEYRCMRZAXABB-ZDUSSCGKSA-N -1 3 345.362 2.796 20 30 EFEDHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F)OCO2 ZINC000358884590 476011972 /nfs/dbraw/zinc/01/19/72/476011972.db2.gz HGTZTVNKBPGJCP-UHFFFAOYSA-N -1 3 334.328 2.535 20 30 EFEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000353503870 476026531 /nfs/dbraw/zinc/02/65/31/476026531.db2.gz ARMRZQQRKHDRAZ-UHFFFAOYSA-N -1 3 348.374 2.905 20 30 EFEDHM N#Cc1cnccc1[N-]C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000356819324 476132680 /nfs/dbraw/zinc/13/26/80/476132680.db2.gz CXEMPDVYMNRDCY-UHFFFAOYSA-N -1 3 338.367 2.814 20 30 EFEDHM C=CCC[C@@H](NC(=O)NCc1cnc(C)[n-]c1=O)c1ccccc1 ZINC000343940924 476136465 /nfs/dbraw/zinc/13/64/65/476136465.db2.gz 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N#Cc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)c(Cl)c1 ZINC000362857688 476446116 /nfs/dbraw/zinc/44/61/16/476446116.db2.gz XEFUVXJPVPSCRA-UHFFFAOYSA-N -1 3 332.772 2.889 20 30 EFEDHM COc1ccccc1-c1nc([N-]C(=O)c2ccc(C#N)s2)n[nH]1 ZINC000362903315 476470981 /nfs/dbraw/zinc/47/09/81/476470981.db2.gz BYPZPLTWAPCMDE-UHFFFAOYSA-N -1 3 325.353 2.666 20 30 EFEDHM CC[C@@H](C)[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)OC ZINC000362975154 476511800 /nfs/dbraw/zinc/51/18/00/476511800.db2.gz DGTXWNDSHYPMPS-MFKMUULPSA-N -1 3 330.837 2.551 20 30 EFEDHM C=CCCC[C@@H](C)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000352078232 476521219 /nfs/dbraw/zinc/52/12/19/476521219.db2.gz WOJFJPPRLDWSEH-LLVKDONJSA-N -1 3 343.424 2.600 20 30 EFEDHM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000352199744 476545931 /nfs/dbraw/zinc/54/59/31/476545931.db2.gz DBFXMOOMXRJTGX-CHWSQXEVSA-N -1 3 337.445 2.592 20 30 EFEDHM Cc1cc(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)[n-]c(=O)n1 ZINC000354398287 476636428 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C=CCC1(CNC(=O)NCc2nc(C(F)(F)F)n[n-]2)CCCC1 ZINC000458645298 477525830 /nfs/dbraw/zinc/52/58/30/477525830.db2.gz CWQFQWMMTQXSLQ-UHFFFAOYSA-N -1 3 331.342 2.759 20 30 EFEDHM COC(=O)c1ccc(C)c(NC(=O)c2ccc(F)c(C#N)c2)c1[O-] ZINC000436587639 477525950 /nfs/dbraw/zinc/52/59/50/477525950.db2.gz YZEGJGNRLYCKQR-UHFFFAOYSA-N -1 3 328.299 2.750 20 30 EFEDHM N#Cc1c(NCc2cccc([O-])c2Br)n[nH]c1C1CC1 ZINC000419774444 477567209 /nfs/dbraw/zinc/56/72/09/477567209.db2.gz IOLABCBUWQNXIG-UHFFFAOYSA-N -1 3 333.189 2.661 20 30 EFEDHM CCCCOc1ccc(C(=O)N2CCC(C#N)(COC)CC2)c([O-])c1 ZINC000436731104 477574323 /nfs/dbraw/zinc/57/43/23/477574323.db2.gz ZTGXBPYFLRGKCP-UHFFFAOYSA-N -1 3 346.427 2.963 20 30 EFEDHM COc1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)c([O-])c1 ZINC000436847689 477611458 /nfs/dbraw/zinc/61/14/58/477611458.db2.gz KXYFFXICLZAEGS-UHFFFAOYSA-N -1 3 340.379 2.561 20 30 EFEDHM C=CCc1cc(CNC(=O)c2ccc(O)cc2[O-])cc(OC)c1OC ZINC000436984352 477656664 /nfs/dbraw/zinc/65/66/64/477656664.db2.gz 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477808418 /nfs/dbraw/zinc/80/84/18/477808418.db2.gz AIEIXHNQLUCYNO-ZETCQYMHSA-N -1 3 342.289 2.899 20 30 EFEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)F ZINC000451088588 477817579 /nfs/dbraw/zinc/81/75/79/477817579.db2.gz WOYHWFBQZILSRJ-JTQLQIEISA-N -1 3 342.289 2.899 20 30 EFEDHM COCCCO[N-]C(=O)/C=C\c1cn(CCC#N)c2ccccc12 ZINC000493781334 477820232 /nfs/dbraw/zinc/82/02/32/477820232.db2.gz FEMXAZRBEDFSGD-HJWRWDBZSA-N -1 3 327.384 2.652 20 30 EFEDHM CC(C)[C@H](CO)O[N-]C(=O)/C=C\c1cn(CCC#N)c2ccccc12 ZINC000493828813 477848050 /nfs/dbraw/zinc/84/80/50/477848050.db2.gz VYRKPFUPACORPW-GIFJBRJJSA-N -1 3 341.411 2.633 20 30 EFEDHM CC(C)(C)c1ccc(CC[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428237488 477848080 /nfs/dbraw/zinc/84/80/80/477848080.db2.gz JGNARTJSELDDSD-UHFFFAOYSA-N -1 3 343.452 2.772 20 30 EFEDHM CC(C)[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000428238448 477849744 /nfs/dbraw/zinc/84/97/44/477849744.db2.gz DKFGGUYBDBNEKT-HNNXBMFYSA-N -1 3 329.425 2.671 20 30 EFEDHM CC(C)c1ccc(CCC[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428245862 477850251 /nfs/dbraw/zinc/85/02/51/477850251.db2.gz KICIYHYXGVSTFR-UHFFFAOYSA-N -1 3 343.452 2.988 20 30 EFEDHM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cccnc1C#N ZINC000428247580 477851453 /nfs/dbraw/zinc/85/14/53/477851453.db2.gz UHPMTZZXXOZALW-UHFFFAOYSA-N -1 3 329.425 2.518 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(c2ccc(Cl)cc2)CC1 ZINC000428248761 477852524 /nfs/dbraw/zinc/85/25/24/477852524.db2.gz QYLQVLGBMSQGJH-UHFFFAOYSA-N -1 3 347.827 2.617 20 30 EFEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc2ccccc2o1 ZINC000428258186 477853853 /nfs/dbraw/zinc/85/38/53/477853853.db2.gz DGQWMNOPYUKIEW-NSHDSACASA-N -1 3 327.365 2.739 20 30 EFEDHM C[C@@H]1CCCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000428371231 477878036 /nfs/dbraw/zinc/87/80/36/477878036.db2.gz DHWIPVZKNYNPBR-ACJLOTCBSA-N -1 3 341.436 2.945 20 30 EFEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000428389946 477884364 /nfs/dbraw/zinc/88/43/64/477884364.db2.gz 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Cn1nc(C(F)(F)F)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000516541713 477945937 /nfs/dbraw/zinc/94/59/37/477945937.db2.gz YVQWPPCVIQLITR-VIFPVBQESA-N -1 3 347.300 2.816 20 30 EFEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C)c1ncc(Br)cn1 ZINC000439259207 477951371 /nfs/dbraw/zinc/95/13/71/477951371.db2.gz GNGDNRNTAXLNFD-ZETCQYMHSA-N -1 3 342.222 2.576 20 30 EFEDHM CC(F)(F)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000559132197 477960181 /nfs/dbraw/zinc/96/01/81/477960181.db2.gz IHHFYXJXCFHGLD-UHFFFAOYSA-N -1 3 328.262 2.511 20 30 EFEDHM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1cn[n-]c(=O)c1Cl ZINC000494591460 478019686 /nfs/dbraw/zinc/01/96/86/478019686.db2.gz WUCSFOHOMQTIPZ-MRVPVSSYSA-N -1 3 341.799 2.681 20 30 EFEDHM CC(C)(C)OC(=O)N[C@H]1CCCC1N=Nc1cn[n-]c(=O)c1Cl ZINC000494591461 478019834 /nfs/dbraw/zinc/01/98/34/478019834.db2.gz WUCSFOHOMQTIPZ-QMMMGPOBSA-N -1 3 341.799 2.681 20 30 EFEDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)CC1(CC#N)CC1 ZINC000451460090 478030118 /nfs/dbraw/zinc/03/01/18/478030118.db2.gz 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/nfs/dbraw/zinc/20/01/76/478200176.db2.gz PQXKKHQEKWQLMO-ONEGZZNKSA-N -1 3 329.219 2.565 20 30 EFEDHM CC1(C)CCCc2cc(C#N)c(N3CCc4nc[n-]c(=O)c4C3)nc21 ZINC000562245361 478221741 /nfs/dbraw/zinc/22/17/41/478221741.db2.gz BNBMYQYFBZSHMM-UHFFFAOYSA-N -1 3 335.411 2.625 20 30 EFEDHM C=CCn1c(=O)[n-]nc1SCCC(=O)Nc1cccc(F)c1C ZINC000489645761 478262160 /nfs/dbraw/zinc/26/21/60/478262160.db2.gz HSUBPYKLFATCMU-UHFFFAOYSA-N -1 3 336.392 2.738 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3nn[n-]c32)ccc1OC(F)(F)F ZINC000562526683 478262388 /nfs/dbraw/zinc/26/23/88/478262388.db2.gz YABFIHLVKMBKEW-UHFFFAOYSA-N -1 3 347.256 2.980 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3[n-]nnc32)ccc1OC(F)(F)F ZINC000562526683 478262392 /nfs/dbraw/zinc/26/23/92/478262392.db2.gz YABFIHLVKMBKEW-UHFFFAOYSA-N -1 3 347.256 2.980 20 30 EFEDHM N#Cc1cc(NC(=O)c2cccc3n[n-]nc32)ccc1OC(F)(F)F ZINC000562526683 478262395 /nfs/dbraw/zinc/26/23/95/478262395.db2.gz YABFIHLVKMBKEW-UHFFFAOYSA-N -1 3 347.256 2.980 20 30 EFEDHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000489723086 478265626 /nfs/dbraw/zinc/26/56/26/478265626.db2.gz ICADCTJBVHSNIO-HNNXBMFYSA-N -1 3 339.457 2.955 20 30 EFEDHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000489772949 478269950 /nfs/dbraw/zinc/26/99/50/478269950.db2.gz FDKIPEGKEZETPF-LBPRGKRZSA-N -1 3 338.326 2.953 20 30 EFEDHM C=CCCCS(=O)(=O)[N-][C@@H](CO)c1c(Cl)cccc1Cl ZINC000489825679 478274426 /nfs/dbraw/zinc/27/44/26/478274426.db2.gz YSPZORBAUGWYFM-LBPRGKRZSA-N -1 3 338.256 2.912 20 30 EFEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000594230064 478287692 /nfs/dbraw/zinc/28/76/92/478287692.db2.gz LNPRTJBCAKZRFP-UHFFFAOYSA-N -1 3 336.395 2.984 20 30 EFEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C2CC2)s1 ZINC000590748143 478316243 /nfs/dbraw/zinc/31/62/43/478316243.db2.gz UJWFZWJBJWKPHR-LBPRGKRZSA-N -1 3 327.475 2.762 20 30 EFEDHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000590749560 478317719 /nfs/dbraw/zinc/31/77/19/478317719.db2.gz 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COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)c(OC)c2)cc1 ZINC000591351446 478533788 /nfs/dbraw/zinc/53/37/88/478533788.db2.gz HMBXQHLFUKZSSS-QGZVFWFLSA-N -1 3 340.379 2.881 20 30 EFEDHM COCC1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594764814 478536189 /nfs/dbraw/zinc/53/61/89/478536189.db2.gz SLAODXMUWXXZHD-UHFFFAOYSA-N -1 3 336.438 2.539 20 30 EFEDHM C=CCCSCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594814954 478549224 /nfs/dbraw/zinc/54/92/24/478549224.db2.gz HAWUEMNLFJSHAJ-UHFFFAOYSA-N -1 3 344.458 2.799 20 30 EFEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000594815597 478549538 /nfs/dbraw/zinc/54/95/38/478549538.db2.gz YDNPNFGIWNTZLS-UHFFFAOYSA-N -1 3 335.878 2.936 20 30 EFEDHM C=CCC1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCOCC1 ZINC000594846808 478560474 /nfs/dbraw/zinc/56/04/74/478560474.db2.gz UIBIFUIUMWTOLP-UHFFFAOYSA-N -1 3 340.832 2.615 20 30 EFEDHM C=CCn1c2ccccc2nc1SCCCOC([O-])=NC(N)=O ZINC000491489530 478565031 /nfs/dbraw/zinc/56/50/31/478565031.db2.gz ZIZWNKRBORQOQR-UHFFFAOYSA-N 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EFEDHM CCc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2C)n1 ZINC000601442936 478834347 /nfs/dbraw/zinc/83/43/47/478834347.db2.gz LKJNMPITVQCBJC-NSHDSACASA-N -1 3 335.454 2.925 20 30 EFEDHM Cc1n[nH]c(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000601439185 478834724 /nfs/dbraw/zinc/83/47/24/478834724.db2.gz NVDGPTWGYFOPSV-SNVBAGLBSA-N -1 3 338.820 2.591 20 30 EFEDHM N#CC1(C[N-]S(=O)(=O)c2csnc2-c2ccccc2)CCC1 ZINC000601444115 478835928 /nfs/dbraw/zinc/83/59/28/478835928.db2.gz OGMQWDVWZACMLH-UHFFFAOYSA-N -1 3 333.438 2.782 20 30 EFEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C1(CF)CCC1 ZINC000564906083 478855462 /nfs/dbraw/zinc/85/54/62/478855462.db2.gz HWKBTBPHTAYXAQ-UHFFFAOYSA-N -1 3 336.310 2.748 20 30 EFEDHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000592382065 478874933 /nfs/dbraw/zinc/87/49/33/478874933.db2.gz FZAJDLORBZJKJF-NHYWBVRUSA-N -1 3 326.393 2.585 20 30 EFEDHM COc1ccc(F)cc1S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000592382064 478875293 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COc1cc(C#N)ccc1OCC(=O)Nc1c([O-])cccc1Cl ZINC000584260884 479069681 /nfs/dbraw/zinc/06/96/81/479069681.db2.gz BDEXVDCBSKMCEY-UHFFFAOYSA-N -1 3 332.743 2.943 20 30 EFEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3csnc3C)sc2C1 ZINC000598890088 479075137 /nfs/dbraw/zinc/07/51/37/479075137.db2.gz FQSPHSFDHVUULC-UHFFFAOYSA-N -1 3 346.437 2.542 20 30 EFEDHM CC[C@]1(C)CC(=O)[N-]N(c2ccc(C#N)cc2C(F)(F)F)C1=O ZINC000601948020 479088414 /nfs/dbraw/zinc/08/84/14/479088414.db2.gz IAPDSJKKWIMGRV-CQSZACIVSA-N -1 3 325.290 2.761 20 30 EFEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC000601962215 479096380 /nfs/dbraw/zinc/09/63/80/479096380.db2.gz IENHMUIDUVHTDB-CQSZACIVSA-N -1 3 349.387 2.839 20 30 EFEDHM C=CC[C@@H]1N(C(=O)CNC(=O)c2ccc([O-])cc2)CCCC1(C)C ZINC000567439006 479107232 /nfs/dbraw/zinc/10/72/32/479107232.db2.gz YYXRBCVEEYSPAX-INIZCTEOSA-N -1 3 330.428 2.715 20 30 EFEDHM Cc1ncc(Br)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000567903277 479117120 /nfs/dbraw/zinc/11/71/20/479117120.db2.gz 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C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000556816335 479213743 /nfs/dbraw/zinc/21/37/43/479213743.db2.gz IJGDGMHVUPWWLP-ZETCQYMHSA-N -1 3 326.727 2.797 20 30 EFEDHM N#CCCN(CC1CC1)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000603045476 479217303 /nfs/dbraw/zinc/21/73/03/479217303.db2.gz TYZSHATZCVLXJR-UHFFFAOYSA-N -1 3 349.744 2.678 20 30 EFEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C)(C)C#N ZINC000599270654 479228661 /nfs/dbraw/zinc/22/86/61/479228661.db2.gz ARDCSQWWPQYBPI-UHFFFAOYSA-N -1 3 349.225 2.725 20 30 EFEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(F)c(Br)cc1C ZINC000599281941 479234004 /nfs/dbraw/zinc/23/40/04/479234004.db2.gz XFBSGNCVIXLTDE-VIFPVBQESA-N -1 3 349.225 2.867 20 30 EFEDHM CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccccn1 ZINC000611017109 479264419 /nfs/dbraw/zinc/26/44/19/479264419.db2.gz YRBYQDWNJIHRFK-HNNXBMFYSA-N -1 3 333.388 2.912 20 30 EFEDHM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000611024903 479265439 /nfs/dbraw/zinc/26/54/39/479265439.db2.gz 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N#CCn1cc(NC(=O)c2c[n-]nc2-c2cccc(Cl)c2)cn1 ZINC000755259774 575567014 /nfs/dbraw/zinc/56/70/14/575567014.db2.gz NJBHCFSVYXZGCU-UHFFFAOYSA-N -1 3 326.747 2.702 20 30 EFEDHM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)cc1[N+](=O)[O-] ZINC000755441750 575586705 /nfs/dbraw/zinc/58/67/05/575586705.db2.gz IZXCPIIJBZMRKA-SNVBAGLBSA-N -1 3 345.808 2.773 20 30 EFEDHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C#N)CC(C)C)c1 ZINC000755442807 575587181 /nfs/dbraw/zinc/58/71/81/575587181.db2.gz MAFMMVNDTCRCRX-LBPRGKRZSA-N -1 3 328.821 2.759 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1coc(-c2ccccc2)n1 ZINC000755660981 575614681 /nfs/dbraw/zinc/61/46/81/575614681.db2.gz AUONQWMXJSECHZ-UHFFFAOYSA-N -1 3 341.392 2.795 20 30 EFEDHM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC)c(C#N)c2)cc1 ZINC000756332624 575719179 /nfs/dbraw/zinc/71/91/79/575719179.db2.gz KLLJPODEASXCGQ-KRWDZBQOSA-N -1 3 340.379 2.881 20 30 EFEDHM C=CCNC(=S)NN=C(C)c1ccc(Br)cc1[O-] ZINC000756818822 575789432 /nfs/dbraw/zinc/78/94/32/575789432.db2.gz CKSWKXXDXHULKM-UHFFFAOYSA-N -1 3 328.235 2.529 20 30 EFEDHM C#CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000756973435 575806620 /nfs/dbraw/zinc/80/66/20/575806620.db2.gz BKDBBDJITXURMI-HNNXBMFYSA-N -1 3 344.392 2.946 20 30 EFEDHM C#CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000756973436 575806745 /nfs/dbraw/zinc/80/67/45/575806745.db2.gz BKDBBDJITXURMI-OAHLLOKOSA-N -1 3 344.392 2.946 20 30 EFEDHM CCOc1ccc(/C=N/Cc2ccc3c(c2)CCS3(=O)=O)c([O-])c1 ZINC000757530771 575841616 /nfs/dbraw/zinc/84/16/16/575841616.db2.gz XTGDJYKYHYQDFT-XDHOZWIPSA-N -1 3 345.420 2.740 20 30 EFEDHM O=c1[n-]c(N=NC2CCN(c3ccccn3)CC2)nc2ccccc21 ZINC000757584412 575843505 /nfs/dbraw/zinc/84/35/05/575843505.db2.gz TZBUCIFYDAYMJQ-UHFFFAOYSA-N -1 3 334.383 2.799 20 30 EFEDHM O=c1[n-]c(N=NCc2ccc(-n3cccn3)cc2)nc2ccccc12 ZINC000757588434 575843604 /nfs/dbraw/zinc/84/36/04/575843604.db2.gz DFBSFUIXUSVNIM-UHFFFAOYSA-N -1 3 330.351 2.967 20 30 EFEDHM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cccnc1C#N ZINC000758081502 575859547 /nfs/dbraw/zinc/85/95/47/575859547.db2.gz SSKFKTVTJIJKQS-LLVKDONJSA-N -1 3 335.816 2.516 20 30 EFEDHM COc1cc(Cl)cc(C=NNC(=S)NCC2CCC2)c1[O-] ZINC000758873205 575879163 /nfs/dbraw/zinc/87/91/63/575879163.db2.gz FIZPXCPJJPSEPV-UHFFFAOYSA-N -1 3 327.837 2.652 20 30 EFEDHM COc1cc(Cl)cc(C=NNC(=S)Nc2cccnc2)c1[O-] ZINC000758885220 575879465 /nfs/dbraw/zinc/87/94/65/575879465.db2.gz IELYIUQTJRHFJG-UHFFFAOYSA-N -1 3 336.804 2.770 20 30 EFEDHM COc1cccc([O-])c1/C=N\C[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000759034868 575883202 /nfs/dbraw/zinc/88/32/02/575883202.db2.gz HDMDDYKCNTYRAF-YQODDJSKSA-N -1 3 338.407 2.868 20 30 EFEDHM C#CC[N-]C(=S)C(C(=O)c1cccc(Cl)c1)[n+]1cccc([O-])c1 ZINC000759055189 575883725 /nfs/dbraw/zinc/88/37/25/575883725.db2.gz TYQIKSXAWHRIRC-UHFFFAOYSA-O -1 3 345.831 2.767 20 30 EFEDHM CCOc1cc(C(=O)[N-]c2ncc(C#N)s2)c([N+](=O)[O-])cc1OC ZINC000759631680 575913171 /nfs/dbraw/zinc/91/31/71/575913171.db2.gz KMRJSVJDKDMGNQ-UHFFFAOYSA-N -1 3 348.340 2.583 20 30 EFEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(Cl)n1 ZINC000760319578 576004876 /nfs/dbraw/zinc/00/48/76/576004876.db2.gz SFVCAHPHLBEMPU-UHFFFAOYSA-N -1 3 337.788 2.725 20 30 EFEDHM N#CC(=C([O-])c1cc(Cl)nc(N2CCCC2)c1)c1ccncn1 ZINC000760337719 576007590 /nfs/dbraw/zinc/00/75/90/576007590.db2.gz AZNQYBSFQJABKU-GFCCVEGCSA-N -1 3 327.775 2.615 20 30 EFEDHM COc1ccc(/C=C/C(=O)c2cnccn2)c(Br)c1[O-] ZINC000761013068 576100936 /nfs/dbraw/zinc/10/09/36/576100936.db2.gz UTNWVWQEDYNOTR-DUXPYHPUSA-N -1 3 335.157 2.849 20 30 EFEDHM COc1ccc(CN=Nc2cc(C)ncn2)c(Br)c1[O-] ZINC000761013888 576101343 /nfs/dbraw/zinc/10/13/43/576101343.db2.gz UUIDETPLDZCZGQ-UHFFFAOYSA-N -1 3 337.177 2.708 20 30 EFEDHM COC(=O)[C@@H](CC(F)F)/N=C/c1cc(Br)ccc1[O-] ZINC000761181141 576126362 /nfs/dbraw/zinc/12/63/62/576126362.db2.gz OANCTFNRGFKIPG-JPEBENEDSA-N -1 3 336.132 2.770 20 30 EFEDHM COC(=O)[C@@H](CC(F)F)/N=C\c1cc(Br)ccc1[O-] ZINC000761181137 576126566 /nfs/dbraw/zinc/12/65/66/576126566.db2.gz OANCTFNRGFKIPG-DYCBTQOFSA-N -1 3 336.132 2.770 20 30 EFEDHM CCC(N=Nc1ccc(-n2ccnc2)nn1)c1ccc([O-])c(F)c1 ZINC000761835631 576217226 /nfs/dbraw/zinc/21/72/26/576217226.db2.gz MZLYYIMQGOTVPD-UHFFFAOYSA-N -1 3 326.335 2.733 20 30 EFEDHM COC(=O)c1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)o1 ZINC000763104860 576361677 /nfs/dbraw/zinc/36/16/77/576361677.db2.gz HBBZQWONFSGHRX-GQCTYLIASA-N -1 3 332.308 2.685 20 30 EFEDHM C=CC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccncc1 ZINC000764279330 576445719 /nfs/dbraw/zinc/44/57/19/576445719.db2.gz KHZPQWITEOVDMG-AWEZNQCLSA-N -1 3 328.368 2.852 20 30 EFEDHM C#CC[C@]1(C(=O)Nc2ncccc2[O-])CCCN1C(=O)OC(C)(C)C ZINC000764663446 576486897 /nfs/dbraw/zinc/48/68/97/576486897.db2.gz HLCLRYRCGLFHCH-GOSISDBHSA-N -1 3 345.399 2.519 20 30 EFEDHM CCCOc1ccc(C(C)=N[N-]S(C)(=O)=O)cc1OCCC ZINC000764698438 576489813 /nfs/dbraw/zinc/48/98/13/576489813.db2.gz GDJIBBYTEFFNHL-UHFFFAOYSA-N -1 3 328.434 2.537 20 30 EFEDHM CC(=N[N-]S(C)(=O)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000764699115 576490236 /nfs/dbraw/zinc/49/02/36/576490236.db2.gz JLECUIXNTISUQK-UHFFFAOYSA-N -1 3 339.398 2.597 20 30 EFEDHM N#CC(=C([O-])c1ccccc1NCc1cccnc1)c1ccncn1 ZINC000765639618 577062190 /nfs/dbraw/zinc/06/21/90/577062190.db2.gz QEDRTBZEJWESHI-MRXNPFEDSA-N -1 3 329.363 2.974 20 30 EFEDHM N#Cc1ccc(OCCCOC(=O)c2ccc3c(C=O)n[n-]c3c2)cc1 ZINC000766178485 577117153 /nfs/dbraw/zinc/11/71/53/577117153.db2.gz UVQWPQUTZKKAEE-UHFFFAOYSA-N -1 3 349.346 2.873 20 30 EFEDHM N#Cc1ccc(OCCCOC(=O)c2ccc3c(C=O)[n-]nc3c2)cc1 ZINC000766178485 577117155 /nfs/dbraw/zinc/11/71/55/577117155.db2.gz UVQWPQUTZKKAEE-UHFFFAOYSA-N -1 3 349.346 2.873 20 30 EFEDHM COC(=O)c1coc(C(=O)/C=C\c2cc(OC)c([O-])c(OC)c2)c1 ZINC000766501792 577158981 /nfs/dbraw/zinc/15/89/81/577158981.db2.gz IZNRPDOJFXLZBC-PLNGDYQASA-N -1 3 332.308 2.685 20 30 EFEDHM COc1cc(C=NN=c2[nH]c3ccccc3[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000767062265 577194764 /nfs/dbraw/zinc/19/47/64/577194764.db2.gz KGARTIMRSYVYEB-UHFFFAOYSA-N -1 3 327.300 2.631 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(C(C)(C)O)cc1 ZINC000767378889 577206859 /nfs/dbraw/zinc/20/68/59/577206859.db2.gz HRKHKOCUDHQNRL-UHFFFAOYSA-N -1 3 346.452 2.758 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(F)cc1Cl ZINC000767779363 577233758 /nfs/dbraw/zinc/23/37/58/577233758.db2.gz JROZMXBCYLLXMA-UHFFFAOYSA-N -1 3 326.780 2.933 20 30 EFEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ccc(F)cc1Cl ZINC000767788290 577233982 /nfs/dbraw/zinc/23/39/82/577233982.db2.gz KVAVKSJQAZYLBC-UHFFFAOYSA-N -1 3 340.807 2.975 20 30 EFEDHM C[C@@H]1CCC[C@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000768364547 577268707 /nfs/dbraw/zinc/26/87/07/577268707.db2.gz KCSIKQKPZFNEPP-OCCSQVGLSA-N -1 3 339.417 2.826 20 30 EFEDHM COC(=O)N1CCC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000726428849 577364452 /nfs/dbraw/zinc/36/44/52/577364452.db2.gz HOPLQDPVWLYWMO-WIJRQFRKSA-N -1 3 341.205 2.804 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)cc3c[nH]nc32)cc1 ZINC000726732824 577382353 /nfs/dbraw/zinc/38/23/53/577382353.db2.gz KZLJWKFBXVRGBO-MRXNPFEDSA-N -1 3 348.362 2.841 20 30 EFEDHM CCCCOc1ccc(CN=Nc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000769808217 577386922 /nfs/dbraw/zinc/38/69/22/577386922.db2.gz DEHDSJZXXCMXSQ-UHFFFAOYSA-N -1 3 340.387 2.694 20 30 EFEDHM CC(C)(C)n1ncc2c1nc(N=NCc1cccc(C#N)c1)[n-]c2=O ZINC000769809647 577387093 /nfs/dbraw/zinc/38/70/93/577387093.db2.gz GMPDIVAABJIHAV-UHFFFAOYSA-N -1 3 335.371 2.605 20 30 EFEDHM C[C@H](NC(=S)NN=Cc1cc([O-])ccc1Br)C1CC1 ZINC000769821220 577387801 /nfs/dbraw/zinc/38/78/01/577387801.db2.gz URIQDBIXRSUJAA-QMMMGPOBSA-N -1 3 342.262 2.751 20 30 EFEDHM N#Cc1ccsc1[N-]C(=O)c1nccn2c(Br)cnc12 ZINC000770264411 577409039 /nfs/dbraw/zinc/40/90/39/577409039.db2.gz AGZMGVSQRKVUJY-UHFFFAOYSA-N -1 3 348.185 2.677 20 30 EFEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000770378769 577413937 /nfs/dbraw/zinc/41/39/37/577413937.db2.gz GRTNPZWPSQOEEX-NSHDSACASA-N -1 3 346.246 2.538 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000770390998 577414937 /nfs/dbraw/zinc/41/49/37/577414937.db2.gz QDSDOBNQCPDSJF-VIFPVBQESA-N -1 3 336.276 2.899 20 30 EFEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770569244 581111538 /nfs/dbraw/zinc/11/15/38/581111538.db2.gz TWRDKOPVRAYQBN-XBGHGCBESA-N -1 3 340.217 2.912 20 30 EFEDHM COc1ccc(C#N)cc1CO[N-]C(=O)CCOc1ccccc1 ZINC000770691747 581126331 /nfs/dbraw/zinc/12/63/31/581126331.db2.gz ATEOKEXSQTVMPM-UHFFFAOYSA-N -1 3 326.352 2.584 20 30 EFEDHM CN1CCN(c2ccc(/C=C3\Oc4cc([O-])ccc4C3=O)cc2)CC1 ZINC000771518057 581220012 /nfs/dbraw/zinc/22/00/12/581220012.db2.gz MVBVXTRMIIUNOJ-UNOMPAQXSA-N -1 3 336.391 2.760 20 30 EFEDHM CN1CCN(c2ccc(/C=C\C(=O)c3ccc(O)cc3[O-])cc2)CC1 ZINC000771526150 581220519 /nfs/dbraw/zinc/22/05/19/581220519.db2.gz UNOHPUVUKMOSQD-WTKPLQERSA-N -1 3 338.407 2.746 20 30 EFEDHM N#CCc1ccc(OCc2ccccc2NC(=O)c2nc[n-]n2)cc1 ZINC000772779758 581367613 /nfs/dbraw/zinc/36/76/13/581367613.db2.gz YRUZDUGPIHBMNU-UHFFFAOYSA-N -1 3 333.351 2.702 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCNc2ccccc2)c1 ZINC000772838628 581373761 /nfs/dbraw/zinc/37/37/61/581373761.db2.gz IZUNJDVOQPWCMP-UHFFFAOYSA-N -1 3 335.816 2.602 20 30 EFEDHM NS(=O)(=O)c1ccccc1NN=Cc1c([O-])ccc2ccccc21 ZINC000773120221 581398123 /nfs/dbraw/zinc/39/81/23/581398123.db2.gz FXJZSCDPMMPSHY-UHFFFAOYSA-N -1 3 341.392 2.639 20 30 EFEDHM Cc1nc(C)c(CC(=O)OCC#Cc2cccc(Cl)c2)c(=O)[n-]1 ZINC000773133074 581399547 /nfs/dbraw/zinc/39/95/47/581399547.db2.gz ZBNSGWXDQULXLD-UHFFFAOYSA-N -1 3 330.771 2.590 20 30 EFEDHM CN(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)ccn1 ZINC000773980234 581476690 /nfs/dbraw/zinc/47/66/90/581476690.db2.gz PDPPALGLUBQIQK-GFCCVEGCSA-N -1 3 342.786 2.762 20 30 EFEDHM N#Cc1cc(NC(=O)CCCc2cccs2)ccc1-c1nnn[n-]1 ZINC000737705849 598921621 /nfs/dbraw/zinc/92/16/21/598921621.db2.gz RLCILNATQFVXMJ-UHFFFAOYSA-N -1 3 338.396 2.761 20 30 EFEDHM N#Cc1cc(NC(=O)CCCc2cccs2)ccc1-c1nn[n-]n1 ZINC000737705849 598921622 /nfs/dbraw/zinc/92/16/22/598921622.db2.gz RLCILNATQFVXMJ-UHFFFAOYSA-N 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CKPZEFVGUOXHCQ-UHFFFAOYSA-N -1 3 348.362 2.626 20 30 EFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735561480 599191369 /nfs/dbraw/zinc/19/13/69/599191369.db2.gz ZBIBLXFADCRNMC-JTQLQIEISA-N -1 3 336.330 2.620 20 30 EFEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735561480 599191372 /nfs/dbraw/zinc/19/13/72/599191372.db2.gz ZBIBLXFADCRNMC-JTQLQIEISA-N -1 3 336.330 2.620 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2CSc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737703896 599191642 /nfs/dbraw/zinc/19/16/42/599191642.db2.gz GHEQYAKZCKNTEJ-AWEZNQCLSA-N -1 3 348.391 2.566 20 30 EFEDHM N#Cc1cc(NC(=O)[C@H]2CSc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737703896 599191645 /nfs/dbraw/zinc/19/16/45/599191645.db2.gz GHEQYAKZCKNTEJ-AWEZNQCLSA-N -1 3 348.391 2.566 20 30 EFEDHM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735671358 599195487 /nfs/dbraw/zinc/19/54/87/599195487.db2.gz VNOAPDAOXIWCNY-UHFFFAOYSA-N -1 3 346.394 2.946 20 30 EFEDHM CC(C)(Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735671358 599195489 /nfs/dbraw/zinc/19/54/89/599195489.db2.gz VNOAPDAOXIWCNY-UHFFFAOYSA-N -1 3 346.394 2.946 20 30 EFEDHM C=CCOc1ccc(OC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000819758680 599201182 /nfs/dbraw/zinc/20/11/82/599201182.db2.gz FSXNDKXDSKWDCP-UHFFFAOYSA-N -1 3 328.353 2.712 20 30 EFEDHM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000817733513 597085355 /nfs/dbraw/zinc/08/53/55/597085355.db2.gz DTYVJMGJABGKQP-CVEARBPZSA-N -1 3 343.427 2.508 20 30 EFEDHM Cc1c(NC(=O)c2c(F)cc(C#N)cc2F)cccc1-c1nnn[n-]1 ZINC000822105682 607296974 /nfs/dbraw/zinc/29/69/74/607296974.db2.gz WNVZLNRVUSGFHY-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM Cc1c(NC(=O)c2c(F)cc(C#N)cc2F)cccc1-c1nn[n-]n1 ZINC000822105682 607296975 /nfs/dbraw/zinc/29/69/75/607296975.db2.gz WNVZLNRVUSGFHY-UHFFFAOYSA-N -1 3 340.293 2.577 20 30 EFEDHM CC(C)(C)CN(CCC#N)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735601990 598241972 /nfs/dbraw/zinc/24/19/72/598241972.db2.gz JGZVXPFQHSJACX-KTKRTIGZSA-N -1 3 338.415 2.668 20 30 EFEDHM CC(C)(C)CN(CCC#N)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735601990 598241974 /nfs/dbraw/zinc/24/19/74/598241974.db2.gz JGZVXPFQHSJACX-KTKRTIGZSA-N -1 3 338.415 2.668 20 30 EFEDHM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737589212 598377691 /nfs/dbraw/zinc/37/76/91/598377691.db2.gz AWGRTYWXHRDKSC-AATRIKPKSA-N -1 3 349.181 2.803 20 30 EFEDHM Cn1c(Cl)nc(Cl)c1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737589212 598377692 /nfs/dbraw/zinc/37/76/92/598377692.db2.gz AWGRTYWXHRDKSC-AATRIKPKSA-N -1 3 349.181 2.803 20 30 EFEDHM C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000736136581 598391952 /nfs/dbraw/zinc/39/19/52/598391952.db2.gz HCUPWHAAWKBWEX-VIFPVBQESA-N -1 3 325.763 2.960 20 30 EFEDHM C[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136581 598391954 /nfs/dbraw/zinc/39/19/54/598391954.db2.gz HCUPWHAAWKBWEX-VIFPVBQESA-N -1 3 325.763 2.960 20 30 EFEDHM CC(=NNCc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450775 598413631 /nfs/dbraw/zinc/41/36/31/598413631.db2.gz DCCRVVBJZOLZOT-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM CC(=NNCc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450775 598413632 /nfs/dbraw/zinc/41/36/32/598413632.db2.gz DCCRVVBJZOLZOT-UHFFFAOYSA-N -1 3 328.326 2.659 20 30 EFEDHM O=[N+]([O-])c1ccc(NN=Cc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000738371850 598495381 /nfs/dbraw/zinc/49/53/81/598495381.db2.gz XVTYEHZAJPFBMM-UHFFFAOYSA-N -1 3 343.734 2.874 20 30 EFEDHM N#Cc1ccc(OCCCOc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000737722609 598548247 /nfs/dbraw/zinc/54/82/47/598548247.db2.gz XEKKCNOVGFEPJD-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM N#Cc1ccc(OCCCOc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000737722609 598548249 /nfs/dbraw/zinc/54/82/49/598548249.db2.gz XEKKCNOVGFEPJD-UHFFFAOYSA-N -1 3 339.330 2.725 20 30 EFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735503984 598625238 /nfs/dbraw/zinc/62/52/38/598625238.db2.gz LKHKYEXSWWDYJR-IBGZPJMESA-N -1 3 346.394 2.512 20 30 EFEDHM C[C@@](C#N)(CCc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735503984 598625240 /nfs/dbraw/zinc/62/52/40/598625240.db2.gz LKHKYEXSWWDYJR-IBGZPJMESA-N -1 3 346.394 2.512 20 30 EFEDHM N#Cc1ccc(-c2ccn(Cc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000737708687 598723281 /nfs/dbraw/zinc/72/32/81/598723281.db2.gz FPKLKUXHIVVSEF-UHFFFAOYSA-N -1 3 345.341 2.789 20 30 EFEDHM N#Cc1ccc(-c2ccn(Cc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000737708687 598723282 /nfs/dbraw/zinc/72/32/82/598723282.db2.gz FPKLKUXHIVVSEF-UHFFFAOYSA-N -1 3 345.341 2.789 20 30 EFEDHM C=CCOc1ccccc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819759279 599501134 /nfs/dbraw/zinc/50/11/34/599501134.db2.gz RPWRFZHEZLNLFA-CYBMUJFWSA-N -1 3 349.394 2.923 20 30 EFEDHM C=CCOc1ccccc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819759279 599501136 /nfs/dbraw/zinc/50/11/36/599501136.db2.gz RPWRFZHEZLNLFA-CYBMUJFWSA-N -1 3 349.394 2.923 20 30 EFEDHM C[C@H](NC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820322449 599538950 /nfs/dbraw/zinc/53/89/50/599538950.db2.gz STIKCSNMJJTCEI-LXKVQUBZSA-N -1 3 344.378 2.629 20 30 EFEDHM C[C@H](NC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820322449 599538953 /nfs/dbraw/zinc/53/89/53/599538953.db2.gz STIKCSNMJJTCEI-LXKVQUBZSA-N -1 3 344.378 2.629 20 30 EFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)[O-])cc1 ZINC000736890415 599798481 /nfs/dbraw/zinc/79/84/81/599798481.db2.gz APHBDLJVDITYHT-DOMZBBRYSA-N -1 3 345.399 2.895 20 30 EFEDHM N#CCOc1ccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739089227 599928542 /nfs/dbraw/zinc/92/85/42/599928542.db2.gz ZPSCZRYLMMYSQV-UHFFFAOYSA-N -1 3 346.333 2.954 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000736095411 599995638 /nfs/dbraw/zinc/99/56/38/599995638.db2.gz VCCAYNVVFYRTKN-UHFFFAOYSA-N -1 3 331.416 2.855 20 30 EFEDHM C=CCN1CCC(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736106395 599999133 /nfs/dbraw/zinc/99/91/33/599999133.db2.gz CHTQDSGCCGAHJA-GQCTYLIASA-N -1 3 331.372 2.755 20 30 EFEDHM Cc1cc(C)cc(N(CCC#N)C(=O)CN(CCC(=O)[O-])C(C)C)c1 ZINC000738363611 600223761 /nfs/dbraw/zinc/22/37/61/600223761.db2.gz GTJQKBWOLLQDNW-UHFFFAOYSA-N -1 3 345.443 2.735 20 30 EFEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000736094956 600387670 /nfs/dbraw/zinc/38/76/70/600387670.db2.gz AVPNSWJRZXODKM-UHFFFAOYSA-N -1 3 335.379 2.686 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)OCCO2 ZINC000736663454 600591135 /nfs/dbraw/zinc/59/11/35/600591135.db2.gz YYBFSHMGHZBYND-KPZWWZAWSA-N -1 3 338.363 2.806 20 30 EFEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736662722 600594157 /nfs/dbraw/zinc/59/41/57/600594157.db2.gz SIOJWVRYZOIQKE-MEDUHNTESA-N -1 3 325.324 2.943 20 30 EFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000736662285 600594255 /nfs/dbraw/zinc/59/42/55/600594255.db2.gz NHKWGNZKTLTFTD-CWTRNNRKSA-N -1 3 349.390 2.919 20 30 EFEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc2c(c1)OCCO2 ZINC000827718116 601297404 /nfs/dbraw/zinc/29/74/04/601297404.db2.gz OWVLVBWJRQGOQT-KZULUSFZSA-N -1 3 338.363 2.806 20 30 EFEDHM N#Cc1cccc([C@@H](NCc2cccc(Cn3cccn3)c2)C(=O)[O-])c1 ZINC000833074536 601302009 /nfs/dbraw/zinc/30/20/09/601302009.db2.gz ADAAPWZTJRBYLW-LJQANCHMSA-N -1 3 346.390 2.719 20 30 EFEDHM N#Cc1cccc([C@H](NCc2cccc(Cn3cccn3)c2)C(=O)[O-])c1 ZINC000833074535 601302022 /nfs/dbraw/zinc/30/20/22/601302022.db2.gz ADAAPWZTJRBYLW-IBGZPJMESA-N -1 3 346.390 2.719 20 30 EFEDHM N#Cc1cccc([C@H](NCc2ccc3c(c2)OCCCO3)C(=O)[O-])c1 ZINC000833074858 601304550 /nfs/dbraw/zinc/30/45/50/601304550.db2.gz FNOCTGGSULSFOM-SFHVURJKSA-N -1 3 338.363 2.635 20 30 EFEDHM COc1ccc(CN(C)[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000832311150 601309501 /nfs/dbraw/zinc/30/95/01/601309501.db2.gz QWFGTSUGHLWESW-SFHVURJKSA-N -1 3 340.379 2.833 20 30 EFEDHM COc1cc(CN(C)[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1 ZINC000831989433 601312559 /nfs/dbraw/zinc/31/25/59/601312559.db2.gz ASXXJXIXWQADRM-GOSISDBHSA-N -1 3 340.379 2.833 20 30 EFEDHM COc1ccc(-c2nnn[n-]2)cc1NCC#Cc1ccccc1Cl ZINC000826186436 607549202 /nfs/dbraw/zinc/54/92/02/607549202.db2.gz SBXMSVBPYSFJGK-UHFFFAOYSA-N -1 3 339.786 2.992 20 30 EFEDHM COc1ccc(-c2nn[n-]n2)cc1NCC#Cc1ccccc1Cl ZINC000826186436 607549203 /nfs/dbraw/zinc/54/92/03/607549203.db2.gz SBXMSVBPYSFJGK-UHFFFAOYSA-N -1 3 339.786 2.992 20 30 EFEDHM C=CCC(CC=C)C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823888366 607613102 /nfs/dbraw/zinc/61/31/02/607613102.db2.gz KJIWEWVIHZGZDY-UHFFFAOYSA-N -1 3 328.372 2.687 20 30 EFEDHM C=CCC(CC=C)C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823888366 607613103 /nfs/dbraw/zinc/61/31/03/607613103.db2.gz KJIWEWVIHZGZDY-UHFFFAOYSA-N -1 3 328.372 2.687 20 30 EFEDHM C[C@H]1CC(C)(C)C[C@@](CO)(NCc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833589136 604615679 /nfs/dbraw/zinc/61/56/79/604615679.db2.gz KVNALCIKBZIDFP-DJJJIMSYSA-N -1 3 330.428 2.923 20 30 EFEDHM CC(=O)N1CC[C@H](N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c2ccccc21 ZINC000833393172 604631600 /nfs/dbraw/zinc/63/16/00/604631600.db2.gz HKVQOTBOILQGSF-HKUYNNGSSA-N -1 3 349.390 2.771 20 30 EFEDHM C=CCOc1ccc(CN2CCC3(C[C@H]3C(=O)[O-])CC2)cc1OC ZINC000833377677 604649186 /nfs/dbraw/zinc/64/91/86/604649186.db2.gz IGGNRHKXHJWLLZ-HNNXBMFYSA-N -1 3 331.412 2.947 20 30 EFEDHM C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833409932 604945264 /nfs/dbraw/zinc/94/52/64/604945264.db2.gz TUDWRXFUJCNAEM-UKRRQHHQSA-N -1 3 343.427 2.708 20 30 EFEDHM CC[C@@H](C#N)Oc1cc(CNCc2ccc(C(=O)[O-])[nH]2)ccc1OC ZINC000833636042 605116211 /nfs/dbraw/zinc/11/62/11/605116211.db2.gz FLHWEWILFUHQOQ-AWEZNQCLSA-N -1 3 343.383 2.692 20 30 EFEDHM FC(F)Oc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822736527 606206314 /nfs/dbraw/zinc/20/63/14/606206314.db2.gz FWCPUDZFEVEMGJ-UHFFFAOYSA-N -1 3 336.327 2.976 20 30 EFEDHM FC(F)Oc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822736527 606206315 /nfs/dbraw/zinc/20/63/15/606206315.db2.gz FWCPUDZFEVEMGJ-UHFFFAOYSA-N -1 3 336.327 2.976 20 30 EFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821343555 606306961 /nfs/dbraw/zinc/30/69/61/606306961.db2.gz PKKDWSRFNMVXHR-VQHVLOKHSA-N -1 3 338.323 2.533 20 30 EFEDHM CCOC(=O)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821343555 606306963 /nfs/dbraw/zinc/30/69/63/606306963.db2.gz PKKDWSRFNMVXHR-VQHVLOKHSA-N -1 3 338.323 2.533 20 30 EFEDHM C[C@@H](OC(=O)C1(C#N)CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488513 606344259 /nfs/dbraw/zinc/34/42/59/606344259.db2.gz OYAIUJPDVIQGGC-GFCCVEGCSA-N -1 3 325.372 2.945 20 30 EFEDHM C[C@@H](OC(=O)C1(C#N)CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488513 606344261 /nfs/dbraw/zinc/34/42/61/606344261.db2.gz OYAIUJPDVIQGGC-GFCCVEGCSA-N -1 3 325.372 2.945 20 30 EFEDHM C#CCOc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819710025 606345195 /nfs/dbraw/zinc/34/51/95/606345195.db2.gz WAWLVJSNFHPQKG-CYBMUJFWSA-N -1 3 348.362 2.797 20 30 EFEDHM C#CCOc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819710025 606345197 /nfs/dbraw/zinc/34/51/97/606345197.db2.gz WAWLVJSNFHPQKG-CYBMUJFWSA-N -1 3 348.362 2.797 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC000822800901 606420336 /nfs/dbraw/zinc/42/03/36/606420336.db2.gz APZHJRIIUAWMGR-CVEARBPZSA-N -1 3 331.383 2.538 20 30 EFEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC000822800901 606420338 /nfs/dbraw/zinc/42/03/38/606420338.db2.gz APZHJRIIUAWMGR-CVEARBPZSA-N -1 3 331.383 2.538 20 30 EFEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823396975 606436690 /nfs/dbraw/zinc/43/66/90/606436690.db2.gz PUVNTHSEZJQIAH-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823396975 606436693 /nfs/dbraw/zinc/43/66/93/606436693.db2.gz PUVNTHSEZJQIAH-UHFFFAOYSA-N -1 3 338.754 2.729 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000822016275 606763405 /nfs/dbraw/zinc/76/34/05/606763405.db2.gz WRQCCAMCYLMGRK-YFHOEESVSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822016275 606763407 /nfs/dbraw/zinc/76/34/07/606763407.db2.gz WRQCCAMCYLMGRK-YFHOEESVSA-N -1 3 335.323 2.979 20 30 EFEDHM Cc1ccc(-c2nnn[n-]2)cc1OCCCOc1cccc(C#N)c1 ZINC000822221363 606839319 /nfs/dbraw/zinc/83/93/19/606839319.db2.gz LPKUEJDMPFHCQX-UHFFFAOYSA-N -1 3 335.367 2.895 20 30 EFEDHM Cc1ccc(-c2nn[n-]n2)cc1OCCCOc1cccc(C#N)c1 ZINC000822221363 606839321 /nfs/dbraw/zinc/83/93/21/606839321.db2.gz LPKUEJDMPFHCQX-UHFFFAOYSA-N -1 3 335.367 2.895 20 30 EFEDHM CCCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821148961 607111467 /nfs/dbraw/zinc/11/14/67/607111467.db2.gz QXGRSYAYEZGGNF-MDZDMXLPSA-N -1 3 336.399 2.986 20 30 EFEDHM CCCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821148961 607111469 /nfs/dbraw/zinc/11/14/69/607111469.db2.gz QXGRSYAYEZGGNF-MDZDMXLPSA-N -1 3 336.399 2.986 20 30 EFEDHM O=C(C=Cc1cccc(-n2cccn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000822928521 607149179 /nfs/dbraw/zinc/14/91/79/607149179.db2.gz IYRNILIAWWIHSL-HJWRWDBZSA-N -1 3 342.362 2.949 20 30 EFEDHM O=C(C=Cc1cccc(-n2cccn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000822928521 607149181 /nfs/dbraw/zinc/14/91/81/607149181.db2.gz IYRNILIAWWIHSL-HJWRWDBZSA-N -1 3 342.362 2.949 20 30 EFEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000820001223 607234979 /nfs/dbraw/zinc/23/49/79/607234979.db2.gz FMDDRQACBXTGJN-UHFFFAOYSA-N -1 3 348.366 2.534 20 30 EFEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000820001223 607234980 /nfs/dbraw/zinc/23/49/80/607234980.db2.gz FMDDRQACBXTGJN-UHFFFAOYSA-N -1 3 348.366 2.534 20 30 EFEDHM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826217278 607812763 /nfs/dbraw/zinc/81/27/63/607812763.db2.gz GFKBVAGRTQDMIW-KHPPLWFESA-N -1 3 336.351 2.780 20 30 EFEDHM COc1cccc(OC)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826217278 607812764 /nfs/dbraw/zinc/81/27/64/607812764.db2.gz GFKBVAGRTQDMIW-KHPPLWFESA-N -1 3 336.351 2.780 20 30 EFEDHM C[C@@H](C#N)CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000824033999 607835585 /nfs/dbraw/zinc/83/55/85/607835585.db2.gz FDXWXYQDQSGIEB-VIFPVBQESA-N -1 3 345.794 2.676 20 30 EFEDHM C[C@@H](C#N)CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000824033999 607835586 /nfs/dbraw/zinc/83/55/86/607835586.db2.gz FDXWXYQDQSGIEB-VIFPVBQESA-N -1 3 345.794 2.676 20 30 EFEDHM CC(C)n1ncc2cc(C=NNc3cccc(-c4nnn[n-]4)c3)cnc21 ZINC000824377552 607886034 /nfs/dbraw/zinc/88/60/34/607886034.db2.gz GZZTZHPDWRSCGL-UHFFFAOYSA-N -1 3 347.386 2.638 20 30 EFEDHM CC(C)n1ncc2cc(C=NNc3cccc(-c4nn[n-]n4)c3)cnc21 ZINC000824377552 607886035 /nfs/dbraw/zinc/88/60/35/607886035.db2.gz GZZTZHPDWRSCGL-UHFFFAOYSA-N -1 3 347.386 2.638 20 30 EFEDHM C=C(C)[C@@H](CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)OCC ZINC000823872788 607921250 /nfs/dbraw/zinc/92/12/50/607921250.db2.gz DOWFPEPUEBOSGC-LLVKDONJSA-N -1 3 335.433 2.855 20 30 EFEDHM C=C(C)[C@@H](CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)OCC ZINC000823872788 607921251 /nfs/dbraw/zinc/92/12/51/607921251.db2.gz DOWFPEPUEBOSGC-LLVKDONJSA-N -1 3 335.433 2.855 20 30 EFEDHM C#CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838646 607932248 /nfs/dbraw/zinc/93/22/48/607932248.db2.gz SIONNFICZBVGPQ-INIZCTEOSA-N -1 3 332.367 2.753 20 30 EFEDHM C#CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838646 607932249 /nfs/dbraw/zinc/93/22/49/607932249.db2.gz SIONNFICZBVGPQ-INIZCTEOSA-N -1 3 332.367 2.753 20 30 EFEDHM CCn1c2ccc(C#N)cc2nc1-c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825783123 607975730 /nfs/dbraw/zinc/97/57/30/607975730.db2.gz ZFCWKYAATLJSEK-UHFFFAOYSA-N -1 3 345.366 2.784 20 30 EFEDHM CCn1c2ccc(C#N)cc2nc1-c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825783123 607975731 /nfs/dbraw/zinc/97/57/31/607975731.db2.gz ZFCWKYAATLJSEK-UHFFFAOYSA-N -1 3 345.366 2.784 20 30 EFEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000825626683 607978773 /nfs/dbraw/zinc/97/87/73/607978773.db2.gz OZCMBPSIULYAEL-UHFFFAOYSA-N -1 3 348.366 2.584 20 30 EFEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000825626683 607978774 /nfs/dbraw/zinc/97/87/74/607978774.db2.gz OZCMBPSIULYAEL-UHFFFAOYSA-N -1 3 348.366 2.584 20 30 EFEDHM CC(=NNCc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823953622 608094337 /nfs/dbraw/zinc/09/43/37/608094337.db2.gz JCQUFKXPWBNFHQ-UHFFFAOYSA-N -1 3 349.423 2.990 20 30 EFEDHM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCCC ZINC000823838266 608307630 /nfs/dbraw/zinc/30/76/30/608307630.db2.gz NBOKYIPUWNLTNU-UHFFFAOYSA-N -1 3 326.404 2.821 20 30 EFEDHM COc1c(C)cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC000826166903 608342558 /nfs/dbraw/zinc/34/25/58/608342558.db2.gz GYNAPARRMYPLQM-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM COc1c(C)cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C ZINC000826166903 608342560 /nfs/dbraw/zinc/34/25/60/608342560.db2.gz GYNAPARRMYPLQM-UHFFFAOYSA-N -1 3 348.366 2.616 20 30 EFEDHM Cc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(C)c1 ZINC000826286214 608537635 /nfs/dbraw/zinc/53/76/35/608537635.db2.gz VUVNEBAEGWIIFU-UHFFFAOYSA-N -1 3 327.779 2.978 20 30 EFEDHM Cc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)c1 ZINC000826286214 608537637 /nfs/dbraw/zinc/53/76/37/608537637.db2.gz VUVNEBAEGWIIFU-UHFFFAOYSA-N -1 3 327.779 2.978 20 30 EFEDHM CCO[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1(C)C ZINC000825576406 608538634 /nfs/dbraw/zinc/53/86/34/608538634.db2.gz FXSCECYHCWODSJ-JTQLQIEISA-N -1 3 335.799 2.518 20 30 EFEDHM CCO[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1(C)C ZINC000825576406 608538636 /nfs/dbraw/zinc/53/86/36/608538636.db2.gz FXSCECYHCWODSJ-JTQLQIEISA-N -1 3 335.799 2.518 20 30 EFEDHM Cc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1C ZINC000826285654 608542901 /nfs/dbraw/zinc/54/29/01/608542901.db2.gz GBRWENJZBVEWRI-UHFFFAOYSA-N -1 3 327.779 2.978 20 30 EFEDHM Cc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1C ZINC000826285654 608542902 /nfs/dbraw/zinc/54/29/02/608542902.db2.gz GBRWENJZBVEWRI-UHFFFAOYSA-N -1 3 327.779 2.978 20 30 EFEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCCOc1cccc(C#N)c1 ZINC000825481034 609178202 /nfs/dbraw/zinc/17/82/02/609178202.db2.gz RXWAFMYFTLZTJV-UHFFFAOYSA-N -1 3 349.398 2.661 20 30 EFEDHM CCCCCCCCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271830 609191853 /nfs/dbraw/zinc/19/18/53/609191853.db2.gz OSNRRFUJDPDFRC-MRXNPFEDSA-N -1 3 345.447 2.767 20 30 EFEDHM CCCCCCCCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271830 609191854 /nfs/dbraw/zinc/19/18/54/609191854.db2.gz OSNRRFUJDPDFRC-MRXNPFEDSA-N -1 3 345.447 2.767 20 30 EFEDHM C[C@H](OC(=O)Cc1ccccc1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824712976 609233485 /nfs/dbraw/zinc/23/34/85/609233485.db2.gz FVQAVPPTWPPXRZ-ZDUSSCGKSA-N -1 3 347.378 2.780 20 30 EFEDHM C[C@H](OC(=O)Cc1ccccc1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824712976 609233486 /nfs/dbraw/zinc/23/34/86/609233486.db2.gz FVQAVPPTWPPXRZ-ZDUSSCGKSA-N -1 3 347.378 2.780 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)CCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401088 609271127 /nfs/dbraw/zinc/27/11/27/609271127.db2.gz PEVYYFBMGWUBRG-KTAJNNJTSA-N -1 3 336.326 2.837 20 30 EFEDHM O=C(C=Cc1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401088 609271128 /nfs/dbraw/zinc/27/11/28/609271128.db2.gz PEVYYFBMGWUBRG-KTAJNNJTSA-N -1 3 336.326 2.837 20 30 EFEDHM COc1cccc(NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826217123 609276369 /nfs/dbraw/zinc/27/63/69/609276369.db2.gz ZHZFVRWGJNETFX-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM COc1cccc(NN=C(C)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826217123 609276370 /nfs/dbraw/zinc/27/63/70/609276370.db2.gz ZHZFVRWGJNETFX-UHFFFAOYSA-N -1 3 326.335 2.851 20 30 EFEDHM CC#CCOC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823943126 609350476 /nfs/dbraw/zinc/35/04/76/609350476.db2.gz OCTKWSFARLEGDH-UHFFFAOYSA-N -1 3 334.335 2.839 20 30 EFEDHM CC#CCOC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823943126 609350478 /nfs/dbraw/zinc/35/04/78/609350478.db2.gz OCTKWSFARLEGDH-UHFFFAOYSA-N -1 3 334.335 2.839 20 30 EFEDHM C[C@@H]1CCC[C@H](CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)C1 ZINC000824929734 609378305 /nfs/dbraw/zinc/37/83/05/609378305.db2.gz YFXBVRALRFVCEY-ZJUUUORDSA-N -1 3 329.433 2.634 20 30 EFEDHM C[C@@H]1CCC[C@H](CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC000824929734 609378306 /nfs/dbraw/zinc/37/83/06/609378306.db2.gz YFXBVRALRFVCEY-ZJUUUORDSA-N -1 3 329.433 2.634 20 30 EFEDHM N#Cc1ccc(N2CC=C(CCNC(=O)c3ccccc3[O-])CC2)nc1 ZINC001089812797 1252782688 /nfs/dbraw/zinc/78/26/88/1252782688.db2.gz ZTXYIPBZJLNGDJ-UHFFFAOYSA-N -1 3 348.406 2.615 20 30 EFEDHM C=C1CC(C)(C(=O)N[C@@H]2CCCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC000943512890 1253083995 /nfs/dbraw/zinc/08/39/95/1253083995.db2.gz VLFPDTXBDQZTLP-OAHLLOKOSA-N -1 3 342.439 2.859 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC000945439072 1253338627 /nfs/dbraw/zinc/33/86/27/1253338627.db2.gz PJJCXTIPUXQZQZ-DZGCQCFKSA-N -1 3 330.428 2.571 20 30 EFEDHM C[C@@H](Nc1ccc(C#N)cn1)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001065656759 1265913289 /nfs/dbraw/zinc/91/32/89/1265913289.db2.gz JXXSDOCASBAIQF-HIFRSBDPSA-N -1 3 336.395 2.622 20 30 EFEDHM Cc1nsc(NC[C@H]2CCN(C(=O)c3ccccc3[O-])C2)c1C#N ZINC001060810994 1257165700 /nfs/dbraw/zinc/16/57/00/1257165700.db2.gz MLEUOBTWKYDQOQ-GFCCVEGCSA-N -1 3 342.424 2.603 20 30 EFEDHM Cc1nsc(NC[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)c1C#N ZINC001060810995 1257165972 /nfs/dbraw/zinc/16/59/72/1257165972.db2.gz MLEUOBTWKYDQOQ-LBPRGKRZSA-N -1 3 342.424 2.603 20 30 EFEDHM C=C(C)CN1CC2(CCC1=O)CCN(Cc1ccc(C(=O)[O-])o1)CC2 ZINC001272764193 1257666886 /nfs/dbraw/zinc/66/68/86/1257666886.db2.gz PHWOEKRNAFPMAS-UHFFFAOYSA-N -1 3 346.427 2.759 20 30 EFEDHM Cc1ncc(CO)c(/C=N/CCc2nc3ccccc3s2)c1[O-] ZINC000005111162 1258151551 /nfs/dbraw/zinc/15/15/51/1258151551.db2.gz AKSBRWRHBOSOFI-GIJQJNRQSA-N -1 3 327.409 2.859 20 30 EFEDHM CC(C)(C)C#CC(=O)NC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001062015010 1260015859 /nfs/dbraw/zinc/01/58/59/1260015859.db2.gz ICIBMZUNQGDQPC-OAHLLOKOSA-N -1 3 342.439 2.553 20 30 EFEDHM C=CCCCC(=O)N1CCC2(CN(C(=O)c3ccccc3[O-])C2)CC1 ZINC001060905254 1261096529 /nfs/dbraw/zinc/09/65/29/1261096529.db2.gz JXWXGPFVFHURAT-UHFFFAOYSA-N -1 3 342.439 2.813 20 30 EFEDHM C=CCCC1(C(=O)NCC[C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001078217217 1261520403 /nfs/dbraw/zinc/52/04/03/1261520403.db2.gz VLYQPMFIRBNKFA-AWEZNQCLSA-N -1 3 330.428 2.763 20 30 EFEDHM CC[C@H](C#N)Oc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000733748915 1265401455 /nfs/dbraw/zinc/40/14/55/1265401455.db2.gz NJTLFEZHFVEMDS-BTZNOAQDSA-N -1 3 339.395 2.888 20 30 EFEDHM CC[C@@H](C#N)Oc1cccc(C/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000733748917 1265401703 /nfs/dbraw/zinc/40/17/03/1265401703.db2.gz NJTLFEZHFVEMDS-SJJOQSKNSA-N -1 3 339.395 2.888 20 30 EFEDHM CN(C(=O)c1ccccc1[O-])[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001032922959 1265408482 /nfs/dbraw/zinc/40/84/82/1265408482.db2.gz ZEACCLOUKVHIHW-KRWDZBQOSA-N -1 3 335.407 2.610 20 30 EFEDHM N#Cc1cnccc1N1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1[O-] ZINC001066109134 1266587834 /nfs/dbraw/zinc/58/78/34/1266587834.db2.gz CYEAPAPJOIQKNX-QZTJIDSGSA-N -1 3 348.406 2.542 20 30 EFEDHM COc1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc2ccccc21 ZINC000734079558 1266864316 /nfs/dbraw/zinc/86/43/16/1266864316.db2.gz CKFIVRLWYIXZMM-AWEZNQCLSA-N -1 3 346.346 2.600 20 30 EFEDHM C#CCOc1ccccc1CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000734159574 1266898390 /nfs/dbraw/zinc/89/83/90/1266898390.db2.gz QWFVTMCJTMFGAS-UHFFFAOYSA-N -1 3 342.351 2.611 20 30 EFEDHM C=CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000734502380 1266993040 /nfs/dbraw/zinc/99/30/40/1266993040.db2.gz AFQKNPNZCNOKHV-ZDUSSCGKSA-N -1 3 333.369 2.586 20 30 EFEDHM CCc1nc(C)c(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000735229482 1267232776 /nfs/dbraw/zinc/23/27/76/1267232776.db2.gz FTHQMHYWRGMUSH-UHFFFAOYSA-N -1 3 337.470 2.858 20 30 EFEDHM COc1ccnc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000735911111 1267453573 /nfs/dbraw/zinc/45/35/73/1267453573.db2.gz JEAPXYMAZRFOAF-ZDUSSCGKSA-N -1 3 329.743 2.705 20 30 EFEDHM COC(=O)c1cc(Cl)cc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000735979167 1267463267 /nfs/dbraw/zinc/46/32/67/1267463267.db2.gz ZZARYYSSMWROBT-UHFFFAOYSA-N -1 3 334.759 2.779 20 30 EFEDHM O=c1nc(C=N[O-])ccn1CC/C=C\c1ccc(Br)cc1 ZINC000736303394 1267573903 /nfs/dbraw/zinc/57/39/03/1267573903.db2.gz ZSSHIPWLNAAOSK-XLSHDFRZSA-N -1 3 348.200 2.917 20 30 EFEDHM C=C(C)CN1CC[C@]2(CCCN2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273374415 1269143545 /nfs/dbraw/zinc/14/35/45/1269143545.db2.gz MTTRQIGHSDKLHQ-GOSISDBHSA-N -1 3 336.382 2.813 20 30 EFEDHM COC(=O)C(C)(C)c1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000741463330 1269540367 /nfs/dbraw/zinc/54/03/67/1269540367.db2.gz DEPFAQAGXFXJBE-UHFFFAOYSA-N -1 3 342.395 2.789 20 30 EFEDHM N#Cc1ccc2c(c1)CCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000743436163 1270588862 /nfs/dbraw/zinc/58/88/62/1270588862.db2.gz SBRVGPOWSUJKSN-UHFFFAOYSA-N -1 3 339.420 2.718 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000743436130 1270588944 /nfs/dbraw/zinc/58/89/44/1270588944.db2.gz RUBDYHXEZOKBSM-UHFFFAOYSA-N -1 3 330.409 2.560 20 30 EFEDHM CCOC(=O)c1nc2cc(NC(=NO)c3ccc(C)cn3)ccc2[n-]1 ZINC001169411191 1272913733 /nfs/dbraw/zinc/91/37/33/1272913733.db2.gz JOVLRZVQHMAOEF-UHFFFAOYSA-N -1 3 339.355 2.691 20 30 EFEDHM N#Cc1ccc(Oc2nc(NCc3ncccc3[O-])ncc2F)cc1 ZINC001169730829 1273140463 /nfs/dbraw/zinc/14/04/63/1273140463.db2.gz JJWPCNAYNSZWOF-UHFFFAOYSA-N -1 3 337.314 2.992 20 30 EFEDHM N#Cc1cc2nc(Cl)c(NCc3ncccc3[O-])nc2cc1C#N ZINC001169730471 1273141088 /nfs/dbraw/zinc/14/10/88/1273141088.db2.gz AIDICBUGAILKFF-UHFFFAOYSA-N -1 3 336.742 2.739 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)cn1 ZINC000792486799 1278805021 /nfs/dbraw/zinc/80/50/21/1278805021.db2.gz RDYQQWGQOCYGKX-UHFFFAOYSA-N -1 3 329.319 2.847 20 30 EFEDHM C#Cc1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cn1 ZINC000792486799 1278805031 /nfs/dbraw/zinc/80/50/31/1278805031.db2.gz RDYQQWGQOCYGKX-UHFFFAOYSA-N -1 3 329.319 2.847 20 30 EFEDHM CCOC(=O)C[C@@H](C/N=C\c1c([O-])c(C)ncc1CO)CC(C)C ZINC000844269795 1278842165 /nfs/dbraw/zinc/84/21/65/1278842165.db2.gz DMWYJEZETRRRQO-VAODSVERSA-N -1 3 336.432 2.622 20 30 EFEDHM C=CCOc1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000804140441 1274565962 /nfs/dbraw/zinc/56/59/62/1274565962.db2.gz JGRXOXTVBLJLNT-UHFFFAOYSA-N -1 3 335.363 2.830 20 30 EFEDHM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1ccc([O-])cc1F ZINC001206044298 1278922275 /nfs/dbraw/zinc/92/22/75/1278922275.db2.gz IQWAMLQTBCZYIK-GFCCVEGCSA-N -1 3 329.331 2.937 20 30 EFEDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000786029913 1275280543 /nfs/dbraw/zinc/28/05/43/1275280543.db2.gz RPTBEZOGTFHNHC-LLVKDONJSA-N -1 3 329.356 2.649 20 30 EFEDHM CC(=NNC1CCCCC1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000786043789 1275285499 /nfs/dbraw/zinc/28/54/99/1275285499.db2.gz XYVWHTKTUXSXHC-UHFFFAOYSA-N -1 3 331.460 2.871 20 30 EFEDHM C[C@](C#N)(NC(=O)COC(=O)c1cc2sccc2c([O-])c1)C1CC1 ZINC000786131127 1275319985 /nfs/dbraw/zinc/31/99/85/1275319985.db2.gz LIVZEKYXLMNQLG-QGZVFWFLSA-N -1 3 344.392 2.572 20 30 EFEDHM C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)N(C)CCC#N ZINC000786131697 1275320086 /nfs/dbraw/zinc/32/00/86/1275320086.db2.gz PMEPKMOECVATRY-JTQLQIEISA-N -1 3 332.381 2.524 20 30 EFEDHM Cc1nc(C([O-])=C(C#N)C(=O)NCc2cccc(C)c2)c2ccccn12 ZINC000786547270 1275438169 /nfs/dbraw/zinc/43/81/69/1275438169.db2.gz PKSAZMKKORSFIK-MRXNPFEDSA-N -1 3 346.390 2.590 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cnn(C(C)C)c1C ZINC000787153612 1275687280 /nfs/dbraw/zinc/68/72/80/1275687280.db2.gz NFYJWVGXIZPVFT-UHFFFAOYSA-N -1 3 334.445 2.616 20 30 EFEDHM C#CCn1cc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000788219428 1276099470 /nfs/dbraw/zinc/09/94/70/1276099470.db2.gz UMKGSWVVMMXHMQ-UHFFFAOYSA-N -1 3 345.402 2.743 20 30 EFEDHM C=C1CCC(C(=O)NC2(CNC(=O)c3ccccc3[O-])CCC2)CC1 ZINC001062569892 1276272445 /nfs/dbraw/zinc/27/24/45/1276272445.db2.gz OKMTUIKHKOZGEW-UHFFFAOYSA-N -1 3 342.439 2.907 20 30 EFEDHM C=CCn1cc(CN[C@@H](C)c2cc(Br)ccc2[O-])nn1 ZINC000818345609 1276512766 /nfs/dbraw/zinc/51/27/66/1276512766.db2.gz FXEXTLOGBAZSSS-JTQLQIEISA-N -1 3 337.221 2.783 20 30 EFEDHM O=C(CSc1cc(Cl)ccc1Cl)N[C@H]1CCCN([O-])C1=O ZINC000820470559 1277185046 /nfs/dbraw/zinc/18/50/46/1277185046.db2.gz BRRJCPRNHQIWMZ-JTQLQIEISA-N -1 3 349.239 2.582 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2cccc(F)c2)CCCCC1 ZINC000820475900 1277188280 /nfs/dbraw/zinc/18/82/80/1277188280.db2.gz CFKNVQHMMKGJFH-OAHLLOKOSA-N -1 3 334.391 2.524 20 30 EFEDHM O=C(CCCc1ccc2ccccc2c1)N[C@H]1CCCN([O-])C1=O ZINC000820475995 1277189064 /nfs/dbraw/zinc/18/90/64/1277189064.db2.gz FHEHPGYMVUUZLJ-KRWDZBQOSA-N -1 3 326.396 2.659 20 30 EFEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000820482228 1277191663 /nfs/dbraw/zinc/19/16/63/1277191663.db2.gz GNJOLWYLGLATKW-CQSZACIVSA-N -1 3 336.819 2.648 20 30 EFEDHM CCOC([O-])=NC(=S)Nc1ncccc1NCC(C)(C)S ZINC001170308877 1279030074 /nfs/dbraw/zinc/03/00/74/1279030074.db2.gz HNNBAJZWGSMJFB-UHFFFAOYSA-N -1 3 328.463 2.645 20 30 EFEDHM CCOC(=O)[N-]C(=S)Nc1ncccc1NCC(C)(C)S ZINC001170308877 1279030081 /nfs/dbraw/zinc/03/00/81/1279030081.db2.gz HNNBAJZWGSMJFB-UHFFFAOYSA-N -1 3 328.463 2.645 20 30 EFEDHM C=CCc1cc(CNC(=O)c2cccc(O)c2[O-])cc(OC)c1OC ZINC000790600819 1277672929 /nfs/dbraw/zinc/67/29/29/1277672929.db2.gz HEOZQQDDYUULOK-UHFFFAOYSA-N -1 3 343.379 2.774 20 30 EFEDHM C=CCN1CC[C@@]2(CCCN(Cc3c(F)cc([O-])cc3F)C2)C1=O ZINC001144550257 1279815061 /nfs/dbraw/zinc/81/50/61/1279815061.db2.gz GCPMZBVTYGFAJW-GOSISDBHSA-N -1 3 336.382 2.671 20 30 EFEDHM C#Cc1nc(Br)cnc1Nc1c(F)ccc([O-])c1F ZINC001175262834 1287383844 /nfs/dbraw/zinc/38/38/44/1287383844.db2.gz NQDABNXJUBEGSL-UHFFFAOYSA-N -1 3 326.100 2.948 20 30 EFEDHM C#CCCCC[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000845901138 1279924046 /nfs/dbraw/zinc/92/40/46/1279924046.db2.gz ZKEPUNXSHUKQHQ-UHFFFAOYSA-N -1 3 336.276 2.901 20 30 EFEDHM C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144654402 1279959725 /nfs/dbraw/zinc/95/97/25/1279959725.db2.gz KEJKSDLSBGDBDD-RDTXWAMCSA-N -1 3 339.382 2.997 20 30 EFEDHM C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(F)c([O-])cc1F)C2 ZINC001144654401 1279959882 /nfs/dbraw/zinc/95/98/82/1279959882.db2.gz KEJKSDLSBGDBDD-KSSFIOAISA-N -1 3 339.382 2.997 20 30 EFEDHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)ccc21 ZINC000794016593 1280000277 /nfs/dbraw/zinc/00/02/77/1280000277.db2.gz DJNHDFLGTSWVPD-UHFFFAOYSA-N -1 3 345.399 2.881 20 30 EFEDHM C#C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccc(Cl)cc1 ZINC000794059697 1280016872 /nfs/dbraw/zinc/01/68/72/1280016872.db2.gz JHSWLAMWIQPIDJ-CYBMUJFWSA-N -1 3 328.734 2.855 20 30 EFEDHM C#C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(Cl)cc1F ZINC000804414835 1280210895 /nfs/dbraw/zinc/21/08/95/1280210895.db2.gz RMQBTYSQHOFNNZ-ZDUSSCGKSA-N -1 3 328.734 2.855 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)CCc1nc(-c2ccc(OCC)cc2)no1 ZINC000846543044 1280237214 /nfs/dbraw/zinc/23/72/14/1280237214.db2.gz FVMMMRKWKMNFLP-LBPRGKRZSA-N -1 3 331.372 2.690 20 30 EFEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000846545520 1280240229 /nfs/dbraw/zinc/24/02/29/1280240229.db2.gz HDBAFMHSQQFWKU-NWDGAFQWSA-N -1 3 332.429 2.530 20 30 EFEDHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000846548619 1280242634 /nfs/dbraw/zinc/24/26/34/1280242634.db2.gz FZZJLSDSXUBAMT-OLZOCXBDSA-N -1 3 335.379 2.692 20 30 EFEDHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001145044793 1280711249 /nfs/dbraw/zinc/71/12/49/1280711249.db2.gz QCMZPRDBTRLVBT-AWEZNQCLSA-N -1 3 333.388 2.752 20 30 EFEDHM CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001146210610 1280836013 /nfs/dbraw/zinc/83/60/13/1280836013.db2.gz RDPOPPLIVCDYRP-HONMWMINSA-N -1 3 343.383 2.600 20 30 EFEDHM Cc1nc(C#N)c([N-]C(=O)c2sc(-c3ccccn3)nc2C)o1 ZINC001147943103 1281372975 /nfs/dbraw/zinc/37/29/75/1281372975.db2.gz XCJNTVYEGUZWNM-UHFFFAOYSA-N -1 3 325.353 2.934 20 30 EFEDHM COc1ccc2c(c1F)CCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000807966334 1281472676 /nfs/dbraw/zinc/47/26/76/1281472676.db2.gz IIPGCPJOUPXGJH-UHFFFAOYSA-N -1 3 348.399 2.604 20 30 EFEDHM O=C1C(=N[N-]c2nccnc2C2CCC2)CCN1Cc1ccccc1 ZINC000807993993 1281487106 /nfs/dbraw/zinc/48/71/06/1281487106.db2.gz KDALOMMWYUHUKT-UHFFFAOYSA-N -1 3 335.411 2.945 20 30 EFEDHM COc1cc(C=NN[C@H]2CCSC2)cc(Br)c1[O-] ZINC000808000166 1281489953 /nfs/dbraw/zinc/48/99/53/1281489953.db2.gz GANQJRXFSTWHSK-VIFPVBQESA-N -1 3 331.235 2.592 20 30 EFEDHM C=CCOc1ccc(C(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC001148463919 1281562804 /nfs/dbraw/zinc/56/28/04/1281562804.db2.gz RLJIQZJUDUUSIR-UHFFFAOYSA-N -1 3 337.335 2.858 20 30 EFEDHM CC(C)(CCC#N)c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001148909014 1281804533 /nfs/dbraw/zinc/80/45/33/1281804533.db2.gz LAPWUKXCWIFQBX-OAHLLOKOSA-N -1 3 340.427 2.510 20 30 EFEDHM COc1cccc2c(C(=O)OCc3ccc(F)c(C#N)c3)n[n-]c21 ZINC000808675346 1281859576 /nfs/dbraw/zinc/85/95/76/1281859576.db2.gz DGQSLMUFNFNCSK-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM COc1cccc2c(C(=O)OCc3ccc(F)c(C#N)c3)[n-]nc21 ZINC000808675346 1281859585 /nfs/dbraw/zinc/85/95/85/1281859585.db2.gz DGQSLMUFNFNCSK-UHFFFAOYSA-N -1 3 325.299 2.939 20 30 EFEDHM Cc1csc([N-]C(=O)c2cnn(-c3ccc(F)cc3)n2)c1C#N ZINC000809006086 1282001305 /nfs/dbraw/zinc/00/13/05/1282001305.db2.gz 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ZINC000747632122 1283688249 /nfs/dbraw/zinc/68/82/49/1283688249.db2.gz ICNYMLSMARDMDC-UHFFFAOYSA-N -1 3 344.436 2.508 20 30 EFEDHM CCN(CCCOC(=O)c1cc([O-])cc(C#N)c1)CC(F)(F)F ZINC000811184598 1284091523 /nfs/dbraw/zinc/09/15/23/1284091523.db2.gz AQNZDJFWTITMBX-UHFFFAOYSA-N -1 3 330.306 2.695 20 30 EFEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000811184223 1284091577 /nfs/dbraw/zinc/09/15/77/1284091577.db2.gz JLNDZUMTOZPIDF-GFCCVEGCSA-N -1 3 334.335 2.763 20 30 EFEDHM N#Cc1cccc(-c2nnc(COC(=O)c3cc([O-])cc(C#N)c3)o2)c1 ZINC000811185577 1284093271 /nfs/dbraw/zinc/09/32/71/1284093271.db2.gz OQXAVCPICCABCX-UHFFFAOYSA-N -1 3 346.302 2.543 20 30 EFEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccn(-c3ccccc3F)n2)c1 ZINC000811185857 1284094652 /nfs/dbraw/zinc/09/46/52/1284094652.db2.gz VGYNZNNHOURORK-UHFFFAOYSA-N -1 3 337.310 2.946 20 30 EFEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccc(F)cc1F ZINC000811186528 1284095275 /nfs/dbraw/zinc/09/52/75/1284095275.db2.gz QFIQIWSFWVMVHK-VIFPVBQESA-N -1 3 331.274 2.970 20 30 EFEDHM CCCCN(CCCC)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186215 1284096381 /nfs/dbraw/zinc/09/63/81/1284096381.db2.gz HAODVULYUPJHRH-UHFFFAOYSA-N -1 3 332.400 2.849 20 30 EFEDHM CC(C)[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCCC[C@@H]1C ZINC000811187271 1284098680 /nfs/dbraw/zinc/09/86/80/1284098680.db2.gz DNDQUSSULYHDJD-SUMWQHHRSA-N -1 3 344.411 2.846 20 30 EFEDHM COC(=O)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1cccc(Cl)c1 ZINC000811188576 1284099385 /nfs/dbraw/zinc/09/93/85/1284099385.db2.gz PJNDKNGGUOSOOQ-OAHLLOKOSA-N -1 3 345.738 2.988 20 30 EFEDHM N#Cc1c(Cl)nsc1NCCCNC(=O)c1ccccc1[O-] ZINC001094338526 1284943066 /nfs/dbraw/zinc/94/30/66/1284943066.db2.gz MDFBLNMPZYGBDB-UHFFFAOYSA-N -1 3 336.804 2.606 20 30 EFEDHM Cc1ncc(CO)c(C=NNc2ccccc2Br)c1[O-] ZINC000812462306 1285157605 /nfs/dbraw/zinc/15/76/05/1285157605.db2.gz LUJJPBGKUDWBSP-UHFFFAOYSA-N -1 3 336.189 2.796 20 30 EFEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000813699578 1286054839 /nfs/dbraw/zinc/05/48/39/1286054839.db2.gz IWANJLMRUILYCU-VIFPVBQESA-N -1 3 339.310 2.805 20 30 EFEDHM N#Cc1ccccc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001095188507 1286643909 /nfs/dbraw/zinc/64/39/09/1286643909.db2.gz JPEVPMWWUPLPMC-NEWSRXKRSA-N -1 3 347.418 2.799 20 30 EFEDHM CC(C)NS(=O)(=O)c1ccc(Nc2cc(C#N)ccc2[O-])cc1 ZINC001174286405 1286957939 /nfs/dbraw/zinc/95/79/39/1286957939.db2.gz AAGUNXGFLDMYRD-UHFFFAOYSA-N -1 3 331.397 2.694 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1COc2c1cccc2Cl ZINC000814815729 1287048658 /nfs/dbraw/zinc/04/86/58/1287048658.db2.gz BHRVXWGKGFCUSE-UHFFFAOYSA-N -1 3 336.800 2.556 20 30 EFEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CC[C@H]2CNc3cccc1c32 ZINC000814815897 1287048690 /nfs/dbraw/zinc/04/86/90/1287048690.db2.gz FFHKXWJIAPCLOA-AWEZNQCLSA-N -1 3 341.436 2.813 20 30 EFEDHM Cc1ncc(CO)c(/C=N/Cc2noc3c2CC(C)(C)CC3)c1[O-] ZINC000871598005 1287165552 /nfs/dbraw/zinc/16/55/52/1287165552.db2.gz ZHNPNEIPHJQDBK-UFWORHAWSA-N -1 3 329.400 2.710 20 30 EFEDHM C=CCC(F)(F)C(=O)[N-]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000815809192 1287831991 /nfs/dbraw/zinc/83/19/91/1287831991.db2.gz JOPAYOOCMADANA-NSHDSACASA-N -1 3 339.260 2.946 20 30 EFEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ncc(C#N)cc1C ZINC000815908612 1287877788 /nfs/dbraw/zinc/87/77/88/1287877788.db2.gz FYBVCHGKFQZZCL-AWEZNQCLSA-N -1 3 348.362 2.622 20 30 EFEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnnn2CC)cc1 ZINC000815909867 1287879024 /nfs/dbraw/zinc/87/90/24/1287879024.db2.gz KLOLEGHSRFQDTR-DOMZBBRYSA-N -1 3 339.399 2.773 20 30 EFEDHM CC(C)(C)Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nc1 ZINC000815915396 1287906429 /nfs/dbraw/zinc/90/64/29/1287906429.db2.gz NKQWDBOACRCMHY-ZDUSSCGKSA-N -1 3 338.367 2.615 20 30 EFEDHM COc1cc(Cl)cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1 ZINC000815915688 1287906803 /nfs/dbraw/zinc/90/68/03/1287906803.db2.gz WPKBDEYHTJDLCB-ZDUSSCGKSA-N -1 3 329.743 2.705 20 30 EFEDHM C#C[C@@H](C)Oc1ccc(COC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000816044855 1287952924 /nfs/dbraw/zinc/95/29/24/1287952924.db2.gz SIEPNYLDJUCLEB-GFCCVEGCSA-N -1 3 327.336 2.559 20 30 EFEDHM C#C[C@H](CC)Oc1ccc(COC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000816048850 1287967752 /nfs/dbraw/zinc/96/77/52/1287967752.db2.gz RFZUHMHMYVTACU-OAHLLOKOSA-N -1 3 341.363 2.949 20 30 EFEDHM O=C(CCCCc1nc2ccccc2s1)N[C@@H]1CCCN([O-])C1=O ZINC000816755708 1288263250 /nfs/dbraw/zinc/26/32/50/1288263250.db2.gz HHBMTWMJLXKNKE-CYBMUJFWSA-N -1 3 347.440 2.506 20 30 EFEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)n1-c1ccccc1C ZINC000816754451 1288263578 /nfs/dbraw/zinc/26/35/78/1288263578.db2.gz DWYSNYMEIXTSKU-MRXNPFEDSA-N -1 3 341.411 2.513 20 30 EFEDHM C[C@@H](CC(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(C(F)(F)F)cc1 ZINC000816754125 1288263945 /nfs/dbraw/zinc/26/39/45/1288263945.db2.gz XIANYKKOZUKHGI-GXFFZTMASA-N -1 3 344.333 2.695 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2csc(C(F)(F)F)n2)ccc1[O-] ZINC001177281567 1288376757 /nfs/dbraw/zinc/37/67/57/1288376757.db2.gz QHALUQMOQBYTRP-UHFFFAOYSA-N -1 3 327.287 2.920 20 30 EFEDHM CCCCCCCCCCS(=O)(=O)NCCCc1c[n-][nH]c1=O ZINC001201838770 1297123184 /nfs/dbraw/zinc/12/31/84/1297123184.db2.gz PHYOSGSJUULKBI-HNNXBMFYSA-N -1 3 345.509 2.559 20 30 EFEDHM CCCN1C[C@H](C/N=C/c2cc(Br)ccc2[O-])CC1=O ZINC000817706350 1288708980 /nfs/dbraw/zinc/70/89/80/1288708980.db2.gz BTSRJYKZYHJYPI-DTQASYIRSA-N -1 3 339.233 2.832 20 30 EFEDHM N#Cc1ccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)nc1Cl ZINC000753000230 1288830406 /nfs/dbraw/zinc/83/04/06/1288830406.db2.gz KCRJXBLHGHJSLK-UHFFFAOYSA-N -1 3 342.771 2.772 20 30 EFEDHM Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc([O-])c(C#N)c2)CC1=O ZINC001180673196 1289585919 /nfs/dbraw/zinc/58/59/19/1289585919.db2.gz OTTBWJULQUVDED-HNNXBMFYSA-N -1 3 349.390 2.872 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=O)C(C)(C)OCC)c(C)c1[O-] ZINC001181151025 1289721552 /nfs/dbraw/zinc/72/15/52/1289721552.db2.gz BMUSMSHWFVFEQA-UHFFFAOYSA-N -1 3 334.372 2.503 20 30 EFEDHM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nnc2n1CCCCC2 ZINC000091440895 1290071892 /nfs/dbraw/zinc/07/18/92/1290071892.db2.gz XWPJRXHTVVMLKB-IYNGYCSASA-N -1 3 341.802 2.943 20 30 EFEDHM Cc1cc(C=C([O-])NC(=NC#N)c2ccncc2)cc(C(F)(F)F)c1 ZINC001182673420 1290237130 /nfs/dbraw/zinc/23/71/30/1290237130.db2.gz OTNJGUFSZUOIBY-UHFFFAOYSA-N -1 3 346.312 2.995 20 30 EFEDHM C[C@]1(C#N)CCN(Cc2ccc([O-])c(I)c2)C1 ZINC001232875082 1312800685 /nfs/dbraw/zinc/80/06/85/1312800685.db2.gz VZTBDFQBUGQCBF-CYBMUJFWSA-N -1 3 342.180 2.732 20 30 EFEDHM Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C#N)c1 ZINC001232968890 1312821366 /nfs/dbraw/zinc/82/13/66/1312821366.db2.gz QFSJNZLORJPPEE-UHFFFAOYSA-N -1 3 335.407 2.530 20 30 EFEDHM COc1c([O-])c(CNCc2cc(C#N)ccc2F)ccc1[N+](=O)[O-] ZINC000775031238 1290979356 /nfs/dbraw/zinc/97/93/56/1290979356.db2.gz ZRHORJOWXNJTOU-UHFFFAOYSA-N -1 3 331.303 2.610 20 30 EFEDHM N#Cc1nc2ccc(NC(=O)c3ccccc3-c3nnn[n-]3)cc2s1 ZINC001187009377 1291071080 /nfs/dbraw/zinc/07/10/80/1291071080.db2.gz PVIOENARLLNKNK-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM N#Cc1nc2ccc(NC(=O)c3ccccc3-c3nn[n-]n3)cc2s1 ZINC001187009377 1291071090 /nfs/dbraw/zinc/07/10/90/1291071090.db2.gz PVIOENARLLNKNK-UHFFFAOYSA-N -1 3 347.363 2.600 20 30 EFEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CCC[C@@H](CC#N)C1 ZINC001166743783 1312832773 /nfs/dbraw/zinc/83/27/73/1312832773.db2.gz YOWKPTSEHDSYSU-VIFPVBQESA-N -1 3 333.779 2.528 20 30 EFEDHM CCCCCCCCS(=O)(=O)[N-][C@H](C(=O)OC)C1CCCC1 ZINC001188029551 1291300920 /nfs/dbraw/zinc/30/09/20/1291300920.db2.gz UNFIJNNTTNNKGL-HNNXBMFYSA-N -1 3 333.494 2.998 20 30 EFEDHM C#CCCCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000126660045 1291332907 /nfs/dbraw/zinc/33/29/07/1291332907.db2.gz JOCPUXKBGDKXAY-UHFFFAOYSA-N -1 3 336.276 2.901 20 30 EFEDHM COCc1oncc1C(=O)[N-]c1c(C#N)cccc1C(F)(F)F ZINC001188327078 1291370748 /nfs/dbraw/zinc/37/07/48/1291370748.db2.gz KRYJXGBJYKAHHT-UHFFFAOYSA-N -1 3 325.246 2.964 20 30 EFEDHM CC#CCCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795782000 1291416698 /nfs/dbraw/zinc/41/66/98/1291416698.db2.gz OJZMAGVVUVJVAL-UHFFFAOYSA-N -1 3 349.330 2.647 20 30 EFEDHM O=C(Nc1ccccc1N1CCCCCC1)N[C@@H]1CCCN([O-])C1=O ZINC000878120782 1291505748 /nfs/dbraw/zinc/50/57/48/1291505748.db2.gz BLGJWESFHMTNCH-OAHLLOKOSA-N -1 3 346.431 2.569 20 30 EFEDHM Cn1cc(C(=O)[N-]c2c(C#N)ccc(F)c2F)c(C(F)(F)F)n1 ZINC001188958650 1291529013 /nfs/dbraw/zinc/52/90/13/1291529013.db2.gz VLJCHUGMTZCEMW-UHFFFAOYSA-N -1 3 330.216 2.841 20 30 EFEDHM COc1cc([O-])c(CN2CCC(C#N)CC2)cc1Br ZINC001233135591 1312862868 /nfs/dbraw/zinc/86/28/68/1312862868.db2.gz VVBFLFBRGFXHEX-UHFFFAOYSA-N -1 3 325.206 2.899 20 30 EFEDHM COc1cc(C(=O)[N-]c2sc3ccccc3c2C#N)c(OC)nn1 ZINC001189061114 1291565934 /nfs/dbraw/zinc/56/59/34/1291565934.db2.gz DSFMQMKDYKOVEH-UHFFFAOYSA-N -1 3 340.364 2.832 20 30 EFEDHM Cc1cc(NC(=O)N[C@@H]2CCCN([O-])C2=O)ccc1C(F)(F)F ZINC000878831082 1291806406 /nfs/dbraw/zinc/80/64/06/1291806406.db2.gz YXCVZCMGMFYJRP-LLVKDONJSA-N -1 3 331.294 2.516 20 30 EFEDHM CC(C)(C)C(=O)Nc1cnccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001189767175 1291850072 /nfs/dbraw/zinc/85/00/72/1291850072.db2.gz JTUJRJRYOQLINZ-UHFFFAOYSA-N -1 3 338.367 2.896 20 30 EFEDHM COc1cc([O-])c(C(=O)NC(C)(C)c2ccc(C#N)cc2)c(OC)c1 ZINC001190145149 1292004561 /nfs/dbraw/zinc/00/45/61/1292004561.db2.gz JSDAIWUUVWHACD-UHFFFAOYSA-N -1 3 340.379 2.946 20 30 EFEDHM O=C1C=C([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCC1 ZINC001190328205 1292118419 /nfs/dbraw/zinc/11/84/19/1292118419.db2.gz IKJIADCOOXZJNL-UHFFFAOYSA-N -1 3 337.294 2.760 20 30 EFEDHM O=C(Nc1cc(Cl)c(Cl)cc1F)N[C@H]1CCCN([O-])C1=O ZINC000879467559 1292148714 /nfs/dbraw/zinc/14/87/14/1292148714.db2.gz GUGMXCLQOHWQHO-VIFPVBQESA-N -1 3 336.150 2.634 20 30 EFEDHM C=CCN1C(=O)CCC12CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333505 1312906695 /nfs/dbraw/zinc/90/66/95/1312906695.db2.gz XZSUNONCLFCUQS-UHFFFAOYSA-N -1 3 336.382 2.813 20 30 EFEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cccc(OCC(F)F)n1 ZINC000127835279 1292176406 /nfs/dbraw/zinc/17/64/06/1292176406.db2.gz BFCMSUAFIXZCPJ-LBPRGKRZSA-N -1 3 345.305 2.687 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc3ncccc23)c1 ZINC001190661270 1292250277 /nfs/dbraw/zinc/25/02/77/1292250277.db2.gz RBHVYMXBAWFGIV-UHFFFAOYSA-N -1 3 341.367 2.724 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)c(F)c2)c1 ZINC001190657809 1292270966 /nfs/dbraw/zinc/27/09/66/1292270966.db2.gz LBNAEEKTBQGJDP-UHFFFAOYSA-N -1 3 342.754 2.968 20 30 EFEDHM CCOc1ccc(C(=O)N([O-])C(=N)c2ccccc2N)c(F)c1F ZINC001190710146 1292275619 /nfs/dbraw/zinc/27/56/19/1292275619.db2.gz GBYYJMWGAKWEFX-UHFFFAOYSA-N -1 3 335.310 2.803 20 30 EFEDHM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C#N)ccc2F)n1 ZINC001190676755 1292282121 /nfs/dbraw/zinc/28/21/21/1292282121.db2.gz CCBBKILFLKDGIU-UHFFFAOYSA-N -1 3 347.415 2.657 20 30 EFEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCCCOc2ccccc2)c1 ZINC001190676413 1292282776 /nfs/dbraw/zinc/28/27/76/1292282776.db2.gz CLKFPAJHNPMNKI-UHFFFAOYSA-N -1 3 348.399 2.835 20 30 EFEDHM COc1cccc([C@@H](C)C[N-]S(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190681855 1292283659 /nfs/dbraw/zinc/28/36/59/1292283659.db2.gz OWUAXFWNAHIYSX-LBPRGKRZSA-N -1 3 348.399 2.788 20 30 EFEDHM CCOC[C@H]1CN(Cc2ccc(C#N)cc2[O-])Cc2cnn(CC)c21 ZINC001233384967 1312918264 /nfs/dbraw/zinc/91/82/64/1312918264.db2.gz PEEWFYUEHWRREV-QGZVFWFLSA-N -1 3 340.427 2.616 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2cnc(Br)c(F)c2)CC1 ZINC001190776806 1292309794 /nfs/dbraw/zinc/30/97/94/1292309794.db2.gz NOPZXXXKNPUZSD-UHFFFAOYSA-N -1 3 335.198 2.834 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3ccc(C#N)cc3[O-])[C@@H]2C1 ZINC001233384009 1312918144 /nfs/dbraw/zinc/91/81/44/1312918144.db2.gz DDKDCDMSZGXWIP-GDBMZVCRSA-N -1 3 343.427 2.705 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1ccc(C#N)cc1[O-] ZINC001233384528 1312918574 /nfs/dbraw/zinc/91/85/74/1312918574.db2.gz YQUJPVCMWHCZJZ-HOTGVXAUSA-N -1 3 343.427 2.848 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC)CC1 ZINC001190833525 1292334220 /nfs/dbraw/zinc/33/42/20/1292334220.db2.gz VLXZEPIAGJXHIB-STQMWFEESA-N -1 3 331.478 2.771 20 30 EFEDHM C=CCC1(S(=O)(=O)[N-]c2c(F)cc(C(=O)OC)c(F)c2C)CC1 ZINC001190814788 1292346305 /nfs/dbraw/zinc/34/63/05/1292346305.db2.gz ONCBMWLDZCGYPD-UHFFFAOYSA-N -1 3 345.367 2.910 20 30 EFEDHM CC(C)(C)OC(=O)N1CC(N(Cc2ccc(C#N)cc2[O-])C2CC2)C1 ZINC001233387074 1312920880 /nfs/dbraw/zinc/92/08/80/1312920880.db2.gz TWCBPNCTNYQRBK-UHFFFAOYSA-N -1 3 343.427 2.848 20 30 EFEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)[nH]c(=O)c2)c1 ZINC001190939158 1292377833 /nfs/dbraw/zinc/37/78/33/1292377833.db2.gz RAFJMGCMFGLTJU-UHFFFAOYSA-N -1 3 344.179 2.766 20 30 EFEDHM Cc1ccnc(F)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190937853 1292378925 /nfs/dbraw/zinc/37/89/25/1292378925.db2.gz ZLLGYLJYEVKENF-UHFFFAOYSA-N -1 3 325.752 2.855 20 30 EFEDHM Cc1ccc(C(F)(F)F)c(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000880111525 1292379216 /nfs/dbraw/zinc/37/92/16/1292379216.db2.gz RYGZSWULQZBTPO-SNVBAGLBSA-N -1 3 331.294 2.516 20 30 EFEDHM CCOC(=O)c1[n-]cnc1NC(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190912296 1292391512 /nfs/dbraw/zinc/39/15/12/1292391512.db2.gz JLUWBADFVSTZQW-UHFFFAOYSA-N -1 3 326.356 2.640 20 30 EFEDHM CCOC(=O)c1nc[n-]c1NC(=O)c1cccc(C(C)(C)C#N)c1 ZINC001190912296 1292391519 /nfs/dbraw/zinc/39/15/19/1292391519.db2.gz JLUWBADFVSTZQW-UHFFFAOYSA-N -1 3 326.356 2.640 20 30 EFEDHM N#Cc1ccc(N2CCN(Cc3c(F)ccc([O-])c3F)CC2)cc1 ZINC001233395781 1312924004 /nfs/dbraw/zinc/92/40/04/1312924004.db2.gz PAMGPWDXMQVFSZ-UHFFFAOYSA-N -1 3 329.350 2.864 20 30 EFEDHM C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000958549916 1292871711 /nfs/dbraw/zinc/87/17/11/1292871711.db2.gz JFMIBPOWXZUSSR-ZXYWRSMDSA-N -1 3 330.428 2.571 20 30 EFEDHM N#Cc1ccccc1CN1CC[C@H](Oc2ccc3occ([O-])c3c2)C1 ZINC001233681364 1312969447 /nfs/dbraw/zinc/96/94/47/1312969447.db2.gz WANYIBXQBQLOKR-KRWDZBQOSA-N -1 3 334.375 2.787 20 30 EFEDHM N#CC12CCC([N-]S(=O)(=O)c3cnccc3Cl)(CC1)CC2 ZINC001192912735 1293099537 /nfs/dbraw/zinc/09/95/37/1293099537.db2.gz JECIUCYNOKBLNG-UHFFFAOYSA-N -1 3 325.821 2.630 20 30 EFEDHM COc1cc([N-]S(=O)(=O)[C@@H](C)C#N)ccc1OCc1ccccc1 ZINC001193149080 1293185828 /nfs/dbraw/zinc/18/58/28/1293185828.db2.gz KIYFRIIPRBBHQG-ZDUSSCGKSA-N -1 3 346.408 2.928 20 30 EFEDHM Cc1cc(NC(=O)OC(C)(C)C)ccc1[N-]S(=O)(=O)[C@H](C)C#N ZINC001193157841 1293188952 /nfs/dbraw/zinc/18/89/52/1293188952.db2.gz IULIYHHQAWEZBF-LLVKDONJSA-N -1 3 339.417 2.996 20 30 EFEDHM Cc1c([N-]S(=O)(=O)[C@H](C)C#N)cccc1NC(=O)OC(C)(C)C ZINC001193160700 1293190013 /nfs/dbraw/zinc/19/00/13/1293190013.db2.gz HYZVACFFQJGGNZ-SNVBAGLBSA-N -1 3 339.417 2.996 20 30 EFEDHM COC(=O)[C@H](Cc1ccccc1)Oc1ccc(/C=N/[O-])cc1OC ZINC001233801123 1312995247 /nfs/dbraw/zinc/99/52/47/1312995247.db2.gz VWVYZHPWNRACHZ-DAQNXSASSA-N -1 3 329.352 2.666 20 30 EFEDHM C#C[C@@H](NCc1cc(Br)cc(F)c1[O-])[C@H]1CCCO1 ZINC000883091214 1293459045 /nfs/dbraw/zinc/45/90/45/1293459045.db2.gz HIAWMTDSMCKVFS-CHWSQXEVSA-N -1 3 328.181 2.564 20 30 EFEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])Nc1cccnc1 ZINC000131217138 1293505138 /nfs/dbraw/zinc/50/51/38/1293505138.db2.gz ZNWCUOFPNUFKFS-REZTVBANSA-N -1 3 334.173 2.607 20 30 EFEDHM N#C[C@H]([N-]S(=O)(=O)Cc1noc2ccccc21)c1ccccc1 ZINC001194044946 1293511598 /nfs/dbraw/zinc/51/15/98/1293511598.db2.gz UKBXQKIDSKOSRB-AWEZNQCLSA-N -1 3 327.365 2.512 20 30 EFEDHM C#CCN1CC[C@]2(CCCN(Cc3cc(F)c([O-])cc3F)CC2)C1=O ZINC001273676966 1293620326 /nfs/dbraw/zinc/62/03/26/1293620326.db2.gz DNGQYIOLJUOYPB-LJQANCHMSA-N -1 3 348.393 2.508 20 30 EFEDHM Cn1cncc1-c1cccc(C(=O)N([O-])C(=N)c2ccccc2N)c1 ZINC001194908281 1293743082 /nfs/dbraw/zinc/74/30/82/1293743082.db2.gz BVTUVFOUIITOCJ-UHFFFAOYSA-N -1 3 335.367 2.526 20 30 EFEDHM CCOc1cccc([C@@H]2C[C@H]2/N=C\c2c([O-])c(C)ncc2CO)c1 ZINC000775630313 1293784956 /nfs/dbraw/zinc/78/49/56/1293784956.db2.gz KRSUBIMCVCTVGG-WBQBYCQISA-N -1 3 326.396 2.962 20 30 EFEDHM CCOc1cccc([C@@H]2C[C@H]2/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000775630306 1293785462 /nfs/dbraw/zinc/78/54/62/1293785462.db2.gz KRSUBIMCVCTVGG-SUMBUIOXSA-N -1 3 326.396 2.962 20 30 EFEDHM CN(C)c1nccc(C/N=C/c2cc(Br)ccc2[O-])n1 ZINC000775633501 1293793346 /nfs/dbraw/zinc/79/33/46/1293793346.db2.gz KBSHTMNIPCQAAI-LZYBPNLTSA-N -1 3 335.205 2.630 20 30 EFEDHM Cc1cccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3)nn2)c1 ZINC000102119610 1294000849 /nfs/dbraw/zinc/00/08/49/1294000849.db2.gz HNKAQQYJHMJYCB-MRXNPFEDSA-N -1 3 345.362 2.537 20 30 EFEDHM C#CCN([C@@H]1CCc2ccccc21)S(=O)(=O)c1ccc([O-])cc1 ZINC001195784856 1294034052 /nfs/dbraw/zinc/03/40/52/1294034052.db2.gz ZQEDCMIFSBMZKV-GOSISDBHSA-N -1 3 327.405 2.704 20 30 EFEDHM N#Cc1ccccc1NC(=S)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001196322182 1294196968 /nfs/dbraw/zinc/19/69/68/1294196968.db2.gz COXQQPOTFTVFMW-UHFFFAOYSA-N -1 3 337.364 2.722 20 30 EFEDHM N#Cc1cc(NC(=O)c2ccn(Cc3ccccc3)c(=O)c2)ccc1[O-] ZINC001196572680 1294293471 /nfs/dbraw/zinc/29/34/71/1294293471.db2.gz CHZWYUJKIJCUAW-UHFFFAOYSA-N -1 3 345.358 2.726 20 30 EFEDHM N#Cc1cc([O-])cc(OC2CCN(c3cc(Cl)ncn3)CC2)c1 ZINC001234140969 1313066802 /nfs/dbraw/zinc/06/68/02/1313066802.db2.gz MVOIKWXIVSYFSB-UHFFFAOYSA-N -1 3 330.775 2.755 20 30 EFEDHM N#Cc1csc(C[N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1 ZINC001196713866 1294339837 /nfs/dbraw/zinc/33/98/37/1294339837.db2.gz PAIMJSOFXHDGCL-UHFFFAOYSA-N -1 3 337.813 2.623 20 30 EFEDHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](O)Oc1cc([O-])cc(C#N)c1 ZINC001234142713 1313068009 /nfs/dbraw/zinc/06/80/09/1313068009.db2.gz XGPUCXHXJNDCSB-QRVDHSFSSA-N -1 3 347.411 2.965 20 30 EFEDHM C[C@@H](Oc1cc([O-])cc(C#N)c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001234144833 1313068824 /nfs/dbraw/zinc/06/88/24/1313068824.db2.gz WEMOJTVJLPIZRD-FOIQADDNSA-N -1 3 338.407 2.932 20 30 EFEDHM COc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3C#N)c1 ZINC001196792880 1294367850 /nfs/dbraw/zinc/36/78/50/1294367850.db2.gz QAJXUYYUAAITQV-MRXNPFEDSA-N -1 3 346.383 2.672 20 30 EFEDHM CCOc1cc(OC)cc(C(=O)N([O-])C(=N)c2ccccc2N)c1 ZINC001197322555 1294513960 /nfs/dbraw/zinc/51/39/60/1294513960.db2.gz AKAZUDPZIZVTIA-UHFFFAOYSA-N -1 3 329.356 2.533 20 30 EFEDHM N#Cc1cccc(NC(=S)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c1 ZINC001197714418 1294687439 /nfs/dbraw/zinc/68/74/39/1294687439.db2.gz BOJWSKGKOQUOFI-UHFFFAOYSA-N -1 3 337.364 2.722 20 30 EFEDHM N#Cc1cccc2nc(=O)[n-]c(OC[C@@H]3CC[C@]4(CCCCO4)O3)c12 ZINC001234514505 1313142824 /nfs/dbraw/zinc/14/28/24/1313142824.db2.gz XAFOJDHFSKWVCK-UGSOOPFHSA-N -1 3 341.367 2.662 20 30 EFEDHM CCOC(=O)CN(CCC#N)Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234568865 1313160444 /nfs/dbraw/zinc/16/04/44/1313160444.db2.gz GCEROINKKOIQAA-UHFFFAOYSA-N -1 3 342.395 2.833 20 30 EFEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000867321737 1295550574 /nfs/dbraw/zinc/55/05/74/1295550574.db2.gz VKOXEBYONHABSM-CQSZACIVSA-N -1 3 346.811 2.518 20 30 EFEDHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000416338254 1295753633 /nfs/dbraw/zinc/75/36/33/1295753633.db2.gz CNWLNWRSFMPISJ-OAHLLOKOSA-N -1 3 336.347 2.800 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2nc3ccsc3[n-]2)C1 ZINC001234846432 1313198054 /nfs/dbraw/zinc/19/80/54/1313198054.db2.gz BVVRAHPXJJGLKA-ONGXEEELSA-N -1 3 334.401 2.762 20 30 EFEDHM CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2nc3sccc3[n-]2)C1 ZINC001234846432 1313198056 /nfs/dbraw/zinc/19/80/56/1313198056.db2.gz BVVRAHPXJJGLKA-ONGXEEELSA-N -1 3 334.401 2.762 20 30 EFEDHM CCOC(=O)c1cc(C#N)c(NC(=S)NC(C)(C)C)c(C)c1[O-] ZINC001200909674 1296492770 /nfs/dbraw/zinc/49/27/70/1296492770.db2.gz SSLWMFWOVAJTFM-UHFFFAOYSA-N -1 3 335.429 2.834 20 30 EFEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=S)Nc1cc(Cl)ccc1Cl ZINC001201092476 1296586616 /nfs/dbraw/zinc/58/66/16/1296586616.db2.gz VTEGQQISHHSVDE-WKEGUHRASA-N -1 3 334.228 2.516 20 30 EFEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)cc1C#N ZINC001201315909 1296722558 /nfs/dbraw/zinc/72/25/58/1296722558.db2.gz QGAQHZDXBRLVBG-UHFFFAOYSA-N -1 3 333.319 2.817 20 30 EFEDHM N#CCCCC[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201788407 1297102972 /nfs/dbraw/zinc/10/29/72/1297102972.db2.gz SJHWRRMFOFYCFM-UHFFFAOYSA-N -1 3 335.198 2.560 20 30 EFEDHM C#CC[C@H]([N-]S(=O)(=O)CCCCCCCCCC)C(=O)OC ZINC001201836844 1297121457 /nfs/dbraw/zinc/12/14/57/1297121457.db2.gz HBAWTFUYGCAMDA-HNNXBMFYSA-N -1 3 331.478 2.611 20 30 EFEDHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201901957 1297142540 /nfs/dbraw/zinc/14/25/40/1297142540.db2.gz HRFKHKQOQWYZAO-GOSISDBHSA-N -1 3 344.436 2.741 20 30 EFEDHM C=CCOC(=O)N1CCC2(CN(Cc3ccc(F)c([O-])c3)C2)CC1 ZINC001236701011 1313513723 /nfs/dbraw/zinc/51/37/23/1313513723.db2.gz AJUSADXHLOXTLW-UHFFFAOYSA-N -1 3 334.391 2.752 20 30 EFEDHM O=C1C=C2CN(Cc3cc(Cl)nc(Cl)c3[O-])CCC2S1 ZINC001237520213 1313660080 /nfs/dbraw/zinc/66/00/80/1313660080.db2.gz SYQPGMSTVYPMAG-SECBINFHSA-N -1 3 331.224 2.868 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCCO2 ZINC000853293822 1300078260 /nfs/dbraw/zinc/07/82/60/1300078260.db2.gz UAWWFZCDDBEWSS-UHFFFAOYSA-N -1 3 344.436 2.855 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC(N(C)C(=O)c3ccccc3[O-])CC2)C1 ZINC000953772243 1300257597 /nfs/dbraw/zinc/25/75/97/1300257597.db2.gz RJKUUZWBFYSTOM-UHFFFAOYSA-N -1 3 342.439 2.812 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccccc1[O-] ZINC000963436512 1300853844 /nfs/dbraw/zinc/85/38/44/1300853844.db2.gz UWSBYOORCXXWHZ-HZPDHXFCSA-N -1 3 342.439 2.810 20 30 EFEDHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1)c1ccccc1[O-] ZINC001096823728 1313728218 /nfs/dbraw/zinc/72/82/18/1313728218.db2.gz ODBQKQYFQZRHMO-RLLQIKCJSA-N -1 3 346.430 2.779 20 30 EFEDHM N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccccc2[O-])C3)c1 ZINC001096822439 1313727353 /nfs/dbraw/zinc/72/73/53/1313727353.db2.gz LUCOTUORFCKDDB-QRQLOZEOSA-N -1 3 347.418 2.799 20 30 EFEDHM CC(C)(C)OC(=O)C1(C([O-])=C(C#N)c2ccncn2)CCSCC1 ZINC000860655522 1301871611 /nfs/dbraw/zinc/87/16/11/1301871611.db2.gz PVYNIQWYJXMPRN-GFCCVEGCSA-N -1 3 347.440 2.508 20 30 EFEDHM C=CCC1(C(=O)N[C@H]2C[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)CCC1 ZINC001097098015 1313850731 /nfs/dbraw/zinc/85/07/31/1313850731.db2.gz DCJFPAHXJZOUCM-HAQNSBGRSA-N -1 3 346.387 2.501 20 30 EFEDHM C[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000965273124 1303099689 /nfs/dbraw/zinc/09/96/89/1303099689.db2.gz YPPDRTITIBZFAO-YLJYHZDGSA-N -1 3 348.446 2.884 20 30 EFEDHM C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001097221530 1313916483 /nfs/dbraw/zinc/91/64/83/1313916483.db2.gz NAGDNHYHOPJDKG-BETUJISGSA-N -1 3 346.387 2.523 20 30 EFEDHM C=C(C)CN(CC)C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000748480278 1313936438 /nfs/dbraw/zinc/93/64/38/1313936438.db2.gz XPPKPZDVZUVGTK-UHFFFAOYSA-N -1 3 329.755 2.766 20 30 EFEDHM CN1CCC(=N[N-]c2ccc(-c3cccc(C(F)(F)F)c3)nn2)C1=O ZINC000794981303 1304056513 /nfs/dbraw/zinc/05/65/13/1304056513.db2.gz LASLFLZUIALBOD-UHFFFAOYSA-N -1 3 349.316 2.792 20 30 EFEDHM O=C(CC(F)(F)C(F)(F)F)[N-]Cc1nccc(C(F)(F)F)n1 ZINC000868871151 1304513470 /nfs/dbraw/zinc/51/34/70/1304513470.db2.gz LJYGRRVRCPPDDH-UHFFFAOYSA-N -1 3 337.170 2.699 20 30 EFEDHM CCc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000870094901 1305129041 /nfs/dbraw/zinc/12/90/41/1305129041.db2.gz BUVLFGHNSBIZSY-UHFFFAOYSA-N 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ZINC001260381851 1316335837 /nfs/dbraw/zinc/33/58/37/1316335837.db2.gz VWSGHFVHAUPUHW-LBPRGKRZSA-N -1 3 349.225 2.949 20 30 EFEDHM CCn1c(=O)[nH]c2cc(C(=O)N([O-])Cc3ccc(F)cc3)ccc21 ZINC000900096007 1307655329 /nfs/dbraw/zinc/65/53/29/1307655329.db2.gz OBXWDIYOKUUQBM-UHFFFAOYSA-N -1 3 329.331 2.933 20 30 EFEDHM CC#Cc1cncc(-c2cccnc2NC(=S)[N-]C(=O)OCC)c1 ZINC001242942296 1314247213 /nfs/dbraw/zinc/24/72/13/1314247213.db2.gz AMNHTPWKRKVHJD-UHFFFAOYSA-N -1 3 340.408 2.958 20 30 EFEDHM CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1-c1cccc([O-])c1F ZINC001243547767 1314297286 /nfs/dbraw/zinc/29/72/86/1314297286.db2.gz ZNQLKAUYNGLUKP-LLVKDONJSA-N -1 3 329.331 2.937 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(C(=O)c1ccccc1[O-])C2 ZINC001019391414 1314309053 /nfs/dbraw/zinc/30/90/53/1314309053.db2.gz USAKFFPDEMGORI-IBGZPJMESA-N -1 3 342.439 2.669 20 30 EFEDHM Cc1ccc(CCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000117535286 1314363284 /nfs/dbraw/zinc/36/32/84/1314363284.db2.gz YAVXWFVDYHKCNC-UHFFFAOYSA-N -1 3 338.407 2.890 20 30 EFEDHM C=C1CCC(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C)CC1 ZINC001011516376 1310221891 /nfs/dbraw/zinc/22/18/91/1310221891.db2.gz ITRXBSQDWWKOHA-RHSMWYFYSA-N -1 3 342.439 2.858 20 30 EFEDHM O=C(Cc1ccccc1)NCC(=O)N([O-])Cc1cccc2ccccc21 ZINC000901367408 1310243842 /nfs/dbraw/zinc/24/38/42/1310243842.db2.gz DKTUZECEGIDQCP-UHFFFAOYSA-N -1 3 348.402 2.917 20 30 EFEDHM CS(=O)(=O)C1(C(=O)N([O-])Cc2cccc3ccccc32)CCC1 ZINC000901371100 1310253288 /nfs/dbraw/zinc/25/32/88/1310253288.db2.gz LWICQZCDSVCDOD-UHFFFAOYSA-N -1 3 333.409 2.525 20 30 EFEDHM O=C(CCN1C(=O)CCc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901372378 1310255148 /nfs/dbraw/zinc/25/51/48/1310255148.db2.gz XHBWEMKDBNJNDI-UHFFFAOYSA-N -1 3 342.370 2.913 20 30 EFEDHM COc1ccc2c(c1)C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)CO2 ZINC000901374762 1310263957 /nfs/dbraw/zinc/26/39/57/1310263957.db2.gz RHHHGNHPYISLGX-CQSZACIVSA-N -1 3 331.343 2.803 20 30 EFEDHM CCS(=O)(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901374910 1310264273 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C=CCOC[C@H](NCc1ccc(Br)cc1Cl)C(=O)[O-] ZINC000901811564 1311056636 /nfs/dbraw/zinc/05/66/36/1311056636.db2.gz UWGQZZQYVTZROZ-LBPRGKRZSA-N -1 3 348.624 2.848 20 30 EFEDHM C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccccc1[O-])C2 ZINC001047700725 1311091514 /nfs/dbraw/zinc/09/15/14/1311091514.db2.gz INUFJXHICJGGMP-XHSDSOJGSA-N -1 3 342.439 2.858 20 30 EFEDHM Cc1ccc(C#N)c(N[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C)n1 ZINC001067038903 1311140685 /nfs/dbraw/zinc/14/06/85/1311140685.db2.gz WZQRYQTVLXGTBH-WBMJQRKESA-N -1 3 336.395 2.540 20 30 EFEDHM C=C1CCC(C(=O)N2C[C@H](NC(=O)c3ccccc3[O-])C[C@@H]2C)CC1 ZINC001014025326 1311304790 /nfs/dbraw/zinc/30/47/90/1311304790.db2.gz LFHPHZKPPAROLR-GOEBONIOSA-N -1 3 342.439 2.858 20 30 EFEDHM C[C@H](O/C(=N\[O-])c1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001223978218 1311328475 /nfs/dbraw/zinc/32/84/75/1311328475.db2.gz QXTOMAORHMNEAK-RKYMTPKQSA-N -1 3 331.284 2.632 20 30 EFEDHM CC(C)(C)OC(=O)N1CC[C@H](O/C(=N\[O-])c2ccccn2)[C@H](F)C1 ZINC001223978425 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EFEDHM C=CCOc1ccccc1[C@H](C)Oc1nc[n-]c(=O)c1CC(=O)OC ZINC001230502010 1312249589 /nfs/dbraw/zinc/24/95/89/1312249589.db2.gz PBXYJBXRBQESGA-LBPRGKRZSA-N -1 3 344.367 2.603 20 30 EFEDHM Cc1cc(=O)[n-]c(CNc2nccc(Oc3cccc(C#N)c3)n2)n1 ZINC001163643629 1312352686 /nfs/dbraw/zinc/35/26/86/1312352686.db2.gz VXSGCBMCUIHJFI-UHFFFAOYSA-N -1 3 334.339 2.557 20 30 EFEDHM N=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC001163684474 1312362845 /nfs/dbraw/zinc/36/28/45/1312362845.db2.gz YZJTUUPFWUNVNL-UHFFFAOYSA-N -1 3 332.289 2.923 20 30 EFEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)C[C@]2(C)CC2(Cl)Cl)C1 ZINC000903108903 1312363694 /nfs/dbraw/zinc/36/36/94/1312363694.db2.gz WTIGJYNHEAFBIC-GRYCIOLGSA-N -1 3 339.288 2.962 20 30 EFEDHM CN(C)c1cnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)cn1 ZINC001163765612 1312380758 /nfs/dbraw/zinc/38/07/58/1312380758.db2.gz ILOAJHJKDVBKKH-UHFFFAOYSA-N -1 3 341.293 2.689 20 30 EFEDHM CO[C@@H](CS(=O)(=O)[N-]c1[nH]c2ccccc2c1C#N)C1CCCC1 ZINC000903179032 1312434764 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Cc1cc(C#N)cc(C)c1Nc1ccc(S(=O)(=O)N(C)C)cc1[O-] ZINC001215646696 1314863785 /nfs/dbraw/zinc/86/37/85/1314863785.db2.gz CZDRNCWFSIZLJW-UHFFFAOYSA-N -1 3 345.424 2.875 20 30 EFEDHM N#Cc1c(N)cc(=N)n(-c2c([O-])cccc2Cl)c1Br ZINC001215983822 1314897949 /nfs/dbraw/zinc/89/79/49/1314897949.db2.gz VEZVLOAZIGWNMZ-UHFFFAOYSA-N -1 3 339.580 2.532 20 30 EFEDHM Cc1cc(-c2noc(-c3ccccc3-c3nnn[n-]3)n2)ccc1C#N ZINC001216014681 1314901715 /nfs/dbraw/zinc/90/17/15/1314901715.db2.gz URCZMVRZEVXHPI-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM Cc1cc(-c2noc(-c3ccccc3-c3nn[n-]n3)n2)ccc1C#N ZINC001216014681 1314901720 /nfs/dbraw/zinc/90/17/20/1314901720.db2.gz URCZMVRZEVXHPI-UHFFFAOYSA-N -1 3 329.323 2.764 20 30 EFEDHM CCc1cc(Nc2cc(S(=O)(=O)N(C)C)ccc2[O-])ccc1C#N ZINC001216316791 1314939827 /nfs/dbraw/zinc/93/98/27/1314939827.db2.gz QPHZODLTKJOTSG-UHFFFAOYSA-N -1 3 345.424 2.820 20 30 EFEDHM Cc1ccc(C#N)c(Nc2cc(S(=O)(=O)N(C)C)ccc2[O-])c1 ZINC001249902928 1315152586 /nfs/dbraw/zinc/15/25/86/1315152586.db2.gz 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Cc1ccc(C#N)c(NC[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)n1 ZINC001068440572 1316111763 /nfs/dbraw/zinc/11/17/63/1316111763.db2.gz NMETVDCMMZKPNS-CTYIDZIISA-N -1 3 336.395 2.588 20 30 EFEDHM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-][C@H](C#N)c1ccccc1)C(=O)C2 ZINC001258966278 1316197784 /nfs/dbraw/zinc/19/77/84/1316197784.db2.gz AXMKISZFHQQWDI-DAYGRLMNSA-N -1 3 346.452 2.566 20 30 EFEDHM CC(C)C[C@](C)(C#N)[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC001258991958 1316199478 /nfs/dbraw/zinc/19/94/78/1316199478.db2.gz UBZONPIELLVRMS-KBRIMQKVSA-N -1 3 340.489 2.630 20 30 EFEDHM N#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001259061092 1316203097 /nfs/dbraw/zinc/20/30/97/1316203097.db2.gz PRCAMNVKIMSCMY-KYZUINATSA-N -1 3 349.275 2.871 20 30 EFEDHM C#Cc1cc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)ccc1F ZINC001259369796 1316234151 /nfs/dbraw/zinc/23/41/51/1316234151.db2.gz UWHBZWATECDPCK-UHFFFAOYSA-N -1 3 341.367 2.794 20 30 EFEDHM N#Cc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC001259471443 1316247611 /nfs/dbraw/zinc/24/76/11/1316247611.db2.gz XBYFZOCHXVCMEN-UHFFFAOYSA-N -1 3 338.791 2.872 20 30 EFEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC001259750748 1316272058 /nfs/dbraw/zinc/27/20/58/1316272058.db2.gz BZWMQQVVCZPTNH-INIZCTEOSA-N -1 3 339.457 2.558 20 30 EFEDHM N#Cc1cc(F)c([N-]S(=O)(=O)CCc2cccc(F)c2)cc1F ZINC001259773473 1316276103 /nfs/dbraw/zinc/27/61/03/1316276103.db2.gz JELVSYMLWYYUEM-UHFFFAOYSA-N -1 3 340.326 2.960 20 30 EFEDHM C=CCS(=O)(=O)[N-][C@@]1(c2ccccc2Cl)CCCCC1=O ZINC001259934327 1316299369 /nfs/dbraw/zinc/29/93/69/1316299369.db2.gz NBYJDURGHVQCCY-OAHLLOKOSA-N -1 3 327.833 2.784 20 30 EFEDHM C=CCS(=O)(=O)[N-][C@@H](C(=O)OCC)c1cccc2ccccc21 ZINC001259934425 1316299524 /nfs/dbraw/zinc/29/95/24/1316299524.db2.gz RBJNSAQKEGIKMK-MRXNPFEDSA-N -1 3 333.409 2.549 20 30 EFEDHM C=CCOC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1ccccc1C ZINC001260024487 1316308194 /nfs/dbraw/zinc/30/81/94/1316308194.db2.gz NQWJSQPIBAJZOX-INIZCTEOSA-N -1 3 339.457 2.558 20 30 EFEDHM N#Cc1cncc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)c1 ZINC001260027481 1316308846 /nfs/dbraw/zinc/30/88/46/1316308846.db2.gz KEUDGBWFYPVXSM-UHFFFAOYSA-N -1 3 341.314 2.914 20 30 EFEDHM Cc1cc2c([N-]S(=O)(=O)Cc3ccc(C#N)cc3)cccc2nn1 ZINC001260044491 1316310408 /nfs/dbraw/zinc/31/04/08/1316310408.db2.gz WONAEVCJRYNQMT-UHFFFAOYSA-N -1 3 338.392 2.752 20 30 EFEDHM N#Cc1ccc(CS(=O)(=O)[N-]c2cc(Cl)ccc2CO)cc1 ZINC001260045029 1316310859 /nfs/dbraw/zinc/31/08/59/1316310859.db2.gz WWLXWQBWKLCFFR-UHFFFAOYSA-N -1 3 336.800 2.646 20 30 EFEDHM O=C(/C=C/[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC001260314946 1316331793 /nfs/dbraw/zinc/33/17/93/1316331793.db2.gz KFPLOMFAMLLEOI-ONEGZZNKSA-N -1 3 348.129 2.917 20 30 EFEDHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)cc1C ZINC001260637525 1316351789 /nfs/dbraw/zinc/35/17/89/1316351789.db2.gz GHJRRTJFPWWDGU-UHFFFAOYSA-N -1 3 338.335 2.954 20 30 EFEDHM Cn1cc(N2CC[C@@H](/N=C\c3cc(Br)ccc3[O-])C2)cn1 ZINC001318566481 1328640277 /nfs/dbraw/zinc/64/02/77/1328640277.db2.gz KWBRYGBBEAFNJR-QDLULRBISA-N -1 3 349.232 2.586 20 30 EFEDHM C=CCCC1(C(=O)N2C[C@H](C)[C@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC001072685321 1316407949 /nfs/dbraw/zinc/40/79/49/1316407949.db2.gz RRILRYQQYSAIMJ-GOEBONIOSA-N -1 3 342.439 2.715 20 30 EFEDHM C#CCCCCC(=O)N1CCC(C)(NC(=O)c2ccccc2[O-])CC1 ZINC001072959134 1316425986 /nfs/dbraw/zinc/42/59/86/1316425986.db2.gz HZOQJQZXIXKKNZ-UHFFFAOYSA-N -1 3 342.439 2.697 20 30 EFEDHM C#CCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001073314773 1316447855 /nfs/dbraw/zinc/44/78/55/1316447855.db2.gz HVYDCXZRNUEXTR-KRWDZBQOSA-N -1 3 342.439 2.553 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)C[C@H]3CCOC3)n2C)c1[O-] ZINC001262918641 1316503056 /nfs/dbraw/zinc/50/30/56/1316503056.db2.gz UHNFDZQMHUZRKF-CQSZACIVSA-N -1 3 342.443 2.779 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001263285353 1316526832 /nfs/dbraw/zinc/52/68/32/1316526832.db2.gz FHKQGNCOCURRJH-IUODEOHRSA-N -1 3 342.447 2.950 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(C)(C)CC1 ZINC001263315785 1316529929 /nfs/dbraw/zinc/52/99/29/1316529929.db2.gz HBTNXFUNUYDTOH-UHFFFAOYSA-N -1 3 328.420 2.643 20 30 EFEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N(C)Cc1cnc(C)s1 ZINC001263323018 1316530630 /nfs/dbraw/zinc/53/06/30/1316530630.db2.gz DHQLJOCGTWIGAV-UHFFFAOYSA-N -1 3 346.416 2.616 20 30 EFEDHM C=CC[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(=O)[O-] ZINC001333125685 1321404373 /nfs/dbraw/zinc/40/43/73/1321404373.db2.gz VRJJXXKRYDXTNC-QMMMGPOBSA-N -1 3 335.179 2.538 20 30 EFEDHM CC(=NNC(=S)NC(C)C)c1cc(Br)ccc1[O-] ZINC001317671725 1328264707 /nfs/dbraw/zinc/26/47/07/1328264707.db2.gz NETAQQPTXDSNQO-UHFFFAOYSA-N -1 3 330.251 2.751 20 30 EFEDHM Cc1nc[n-]c(=O)c1CCC(=O)OCC#Cc1cccc(Cl)c1 ZINC001324205548 1329607693 /nfs/dbraw/zinc/60/76/93/1329607693.db2.gz YOYKFSDUHBCSNG-UHFFFAOYSA-N -1 3 330.771 2.672 20 30 EFEDHM C=CC[C@@H](NCc1cc(Br)ccc1[O-])C(=O)OCC ZINC001326382983 1329751883 /nfs/dbraw/zinc/75/18/83/1329751883.db2.gz UKRPFGLXERLCMW-GFCCVEGCSA-N -1 3 328.206 2.752 20 30 EFEDHM C=CCCn1cc(CNC[C@H](Cc2cccc(Cl)c2)C(=O)[O-])nn1 ZINC001327066257 1330408004 /nfs/dbraw/zinc/40/80/04/1330408004.db2.gz KPGUFEDGQWIENB-AWEZNQCLSA-N -1 3 348.834 2.541 20 30 EFEDHM C=C(C)C[C@@H](NCc1cn(-c2ccc(F)c(Cl)c2)nn1)C(=O)[O-] ZINC001329311974 1330693080 /nfs/dbraw/zinc/69/30/80/1330693080.db2.gz ZZDDRSBPAOIRBI-CQSZACIVSA-N -1 3 338.770 2.569 20 30 EFEDHM Cc1ccc([C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC001331420639 1330835180 /nfs/dbraw/zinc/83/51/80/1330835180.db2.gz ZQUADEREUREALW-LLVKDONJSA-N -1 3 345.380 2.703 20 30 EFEDHM CC(C)(C)C#CC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001336597740 1331486054 /nfs/dbraw/zinc/48/60/54/1331486054.db2.gz CGKBGXXIUJELOM-UHFFFAOYSA-N -1 3 348.204 2.617 20 30 EFEDHM CC(C)(C)C#CC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001336597740 1331486056 /nfs/dbraw/zinc/48/60/56/1331486056.db2.gz CGKBGXXIUJELOM-UHFFFAOYSA-N -1 3 348.204 2.617 20 30 EFEDHM C=CC[C@@H]1N(c2nnc(-c3cnc[n-]c3=O)n2C)CCCC1(C)C ZINC001338367765 1331699686 /nfs/dbraw/zinc/69/96/86/1331699686.db2.gz UGDLKIAZIQJWFS-ZDUSSCGKSA-N -1 3 328.420 2.549 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N3CCCOCC3)n2C)c1[O-] ZINC001338523806 1331713401 /nfs/dbraw/zinc/71/34/01/1331713401.db2.gz QVFZNMDWCYKMLS-UHFFFAOYSA-N -1 3 328.416 2.533 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CC2(CC2)c2ccccc21 ZINC001338833938 1331744170 /nfs/dbraw/zinc/74/41/70/1331744170.db2.gz HOBSLAPEDNNDLE-UHFFFAOYSA-N -1 3 346.394 2.810 20 30 EFEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001338883943 1331752795 /nfs/dbraw/zinc/75/27/95/1331752795.db2.gz HBAQDQQYIOHCJS-UHFFFAOYSA-N -1 3 347.419 2.609 20 30 EFEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(C)[C@H](C)c1ccco1 ZINC001339195861 1331813997 /nfs/dbraw/zinc/81/39/97/1331813997.db2.gz JMQJMKGUIDCOGX-LLVKDONJSA-N -1 3 340.387 2.726 20 30 EFEDHM C=C(C)Cc1cccc(-c2nnc(N(C)Cc3ccon3)n2C)c1[O-] ZINC001339317236 1331840901 /nfs/dbraw/zinc/84/09/01/1331840901.db2.gz RAPDFNPFUZCDNK-UHFFFAOYSA-N -1 3 339.399 2.931 20 30 EFEDHM C=CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC)C1 ZINC001339362475 1331848993 /nfs/dbraw/zinc/84/89/93/1331848993.db2.gz DNYWHMLRXJHJMJ-CYBMUJFWSA-N -1 3 328.420 2.562 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC(C)(C)C[C@@H]1C ZINC001341738457 1332280734 /nfs/dbraw/zinc/28/07/34/1332280734.db2.gz ARVFAZJALDYZSM-LBPRGKRZSA-N -1 3 342.447 2.950 20 30 EFEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC(C)(C)C[C@H]1C ZINC001341738455 1332281032 /nfs/dbraw/zinc/28/10/32/1332281032.db2.gz ARVFAZJALDYZSM-GFCCVEGCSA-N -1 3 342.447 2.950 20 30 EFEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1Cc2ccccc2[C@H](C)C1 ZINC001342149390 1332310446 /nfs/dbraw/zinc/31/04/46/1332310446.db2.gz GOBURGNEQQFJEH-CYBMUJFWSA-N -1 3 348.410 2.750 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001343581810 1332359893 /nfs/dbraw/zinc/35/98/93/1332359893.db2.gz VGTFNHADUGHRCE-ZFWWWQNUSA-N -1 3 340.431 2.786 20 30 EFEDHM C=C[C@@H](CC)CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC001345754391 1332571326 /nfs/dbraw/zinc/57/13/26/1332571326.db2.gz CBHVLWWPQDROBO-JXFKEZNVSA-N -1 3 344.455 2.824 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H](C)c1ccco1 ZINC001346354844 1332628037 /nfs/dbraw/zinc/62/80/37/1332628037.db2.gz GTSDNEPPCOVNES-LBPRGKRZSA-N -1 3 340.387 2.807 20 30 EFEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](C)CC(C)(C)C1 ZINC001346356475 1332629285 /nfs/dbraw/zinc/62/92/85/1332629285.db2.gz TUPDMCPSYKRKJB-CYBMUJFWSA-N -1 3 342.447 2.889 20 30 EFEDHM CC(C)c1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC001349811890 1333000557 /nfs/dbraw/zinc/00/05/57/1333000557.db2.gz OIHAIEUWIFIBCB-ZDUSSCGKSA-N -1 3 343.383 2.575 20 30 EFEDHM C=CCC[C@H]1CCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC ZINC001352305552 1333464139 /nfs/dbraw/zinc/46/41/39/1333464139.db2.gz CPOREPJVBCPRGG-ZDUSSCGKSA-N -1 3 328.420 2.704 20 30 EFEDHM CCCCOc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(Cl)c1 ZINC000848133804 1334345704 /nfs/dbraw/zinc/34/57/04/1334345704.db2.gz HMOXPHFWDDCRPW-CQSZACIVSA-N -1 3 340.807 2.629 20 30 EFEDHM CC(C)(CC(=O)N[C@@H]1CCCN([O-])C1=O)Cc1ccc(Cl)cc1 ZINC000848133544 1334346076 /nfs/dbraw/zinc/34/60/76/1334346076.db2.gz ARVRUPUKDKVFDS-CQSZACIVSA-N -1 3 338.835 2.795 20 30 EFEDHM C[C@@H]1CCC[C@H](OCCCCCC(=O)N[C@H]2CCCN([O-])C2=O)C1 ZINC000848134769 1334346625 /nfs/dbraw/zinc/34/66/25/1334346625.db2.gz DNLOJRCHVQTUDJ-PMPSAXMXSA-N -1 3 340.464 2.639 20 30 EFEDHM CC(C)Cc1ccc(CCCC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848134507 1334347243 /nfs/dbraw/zinc/34/72/43/1334347243.db2.gz AOKNVGYYNYDVBC-KRWDZBQOSA-N -1 3 332.444 2.704 20 30 EFEDHM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135896 1334348300 /nfs/dbraw/zinc/34/83/00/1334348300.db2.gz QSXIANKIHQRUBA-YXVBKTCISA-N -1 3 343.210 2.893 20 30 EFEDHM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135895 1334348329 /nfs/dbraw/zinc/34/83/29/1334348329.db2.gz QSXIANKIHQRUBA-XEHSLEBBSA-N -1 3 343.210 2.893 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2occ(C)c2C)cc1OC ZINC001356088391 1334951818 /nfs/dbraw/zinc/95/18/18/1334951818.db2.gz RKQZMCABSKBHJO-CYBMUJFWSA-N -1 3 342.351 2.875 20 30 EFEDHM C=CC[C@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2CC=C)C1 ZINC001356140535 1334969992 /nfs/dbraw/zinc/96/99/92/1334969992.db2.gz VCWCMAZTQBPAPL-AWEZNQCLSA-N -1 3 340.431 2.728 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C(C)C)n1 ZINC001356265501 1335005309 /nfs/dbraw/zinc/00/53/09/1335005309.db2.gz IZHWJWNUGYJYOJ-CYBMUJFWSA-N -1 3 340.383 2.742 20 30 EFEDHM Cc1ncc(CO)c(/C=N/C[C@@H](OC2CCCC2)C(F)(F)F)c1[O-] ZINC000849170081 1335563027 /nfs/dbraw/zinc/56/30/27/1335563027.db2.gz KUXATVAMNXRDHF-IERUQDSDSA-N -1 3 346.349 2.897 20 30 EFEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001362211871 1336555619 /nfs/dbraw/zinc/55/56/19/1336555619.db2.gz BFPVSMBQBLISPF-OAHLLOKOSA-N -1 3 343.452 2.913 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(CC2CC2)[nH]n1 ZINC001362794031 1336744804 /nfs/dbraw/zinc/74/48/04/1336744804.db2.gz DXUYJYHUFPPUSX-UHFFFAOYSA-N -1 3 339.399 2.523 20 30 EFEDHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(C#N)c1 ZINC001363805545 1337060061 /nfs/dbraw/zinc/06/00/61/1337060061.db2.gz HPWWNBSVBIJBLT-FZMZJTMJSA-N -1 3 325.334 2.590 20 30 EFEDHM C=C(Cl)CNC[C@H](NC(=O)c1ncccc1[O-])C1CCCCC1 ZINC001405947392 1366987764 /nfs/dbraw/zinc/98/77/64/1366987764.db2.gz MKWVUXKGDHKRPP-AWEZNQCLSA-N -1 3 337.851 2.808 20 30 EFEDHM CN(CCN(C)C(=O)c1ccccc1[O-])Cc1ccc(C#N)cc1F ZINC001438844520 1388860540 /nfs/dbraw/zinc/86/05/40/1388860540.db2.gz KNGQBAWKKSYJSF-UHFFFAOYSA-N -1 3 341.386 2.607 20 30 EFEDHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC001434551703 1387200109 /nfs/dbraw/zinc/20/01/09/1387200109.db2.gz CNSFCCSVXJNTIV-UHFFFAOYSA-N -1 3 330.793 2.891 20 30 EFEDHM CO[C@@H]1C[C@@H](C/N=C\c2cc(Cl)ccc2[O-])N(c2ccncn2)C1 ZINC001551948075 1414290457 /nfs/dbraw/zinc/29/04/57/1414290457.db2.gz NAZRJBKGRYASDF-VTEQUNKHSA-N -1 3 346.818 2.548 20 30 EFEDHM O=C(c1cnn(C[C@H]2CCCCO2)c1)N([O-])Cc1ccc(F)cc1 ZINC001553249425 1414750865 /nfs/dbraw/zinc/75/08/65/1414750865.db2.gz BTVOESLZQRFFGU-MRXNPFEDSA-N -1 3 333.363 2.623 20 30 EFEDHM C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735413762 1429846044 /nfs/dbraw/zinc/84/60/44/1429846044.db2.gz ZKPADFBDIOEBLT-NSHDSACASA-N -1 3 348.838 2.745 20 30 EFEDHM C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735413762 1429846053 /nfs/dbraw/zinc/84/60/53/1429846053.db2.gz ZKPADFBDIOEBLT-NSHDSACASA-N -1 3 348.838 2.745 20 30 EFEDHM C=C(C)CN(CC)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000819723122 1430171962 /nfs/dbraw/zinc/17/19/62/1430171962.db2.gz ZNQRVZAJTLZXBI-UHFFFAOYSA-N -1 3 337.431 2.759 20 30 EFEDHM C=C(C)CN(CC)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000819723122 1430171964 /nfs/dbraw/zinc/17/19/64/1430171964.db2.gz ZNQRVZAJTLZXBI-UHFFFAOYSA-N -1 3 337.431 2.759 20 30 EFEDHM C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735413761 1442260972 /nfs/dbraw/zinc/26/09/72/1442260972.db2.gz ZKPADFBDIOEBLT-LLVKDONJSA-N -1 3 348.838 2.745 20 30 EFEDHM C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735413761 1442260975 /nfs/dbraw/zinc/26/09/75/1442260975.db2.gz ZKPADFBDIOEBLT-LLVKDONJSA-N -1 3 348.838 2.745 20 30 EFEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc2ccsc2[n-]1 ZINC000023346333 712903509 /nfs/dbraw/zinc/90/35/09/712903509.db2.gz WFKFGJXZZWQWCJ-QFYYESIMSA-N -1 3 333.413 2.829 20 30 EFEDHM COC1(C/N=C/c2cc(Br)ccc2[O-])CCOCC1 ZINC000160184160 712914697 /nfs/dbraw/zinc/91/46/97/712914697.db2.gz JZXDQOJISKWBTO-CXUHLZMHSA-N -1 3 328.206 2.769 20 30 EFEDHM COc1cc(C=NOC2CCC2)cc(I)c1[O-] ZINC000812236506 713289644 /nfs/dbraw/zinc/28/96/44/713289644.db2.gz NYQKFQICHZWLNR-UHFFFAOYSA-N -1 3 347.152 2.908 20 30 EFEDHM C=C[C@@](C)(CC)C(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001021117360 713589799 /nfs/dbraw/zinc/58/97/99/713589799.db2.gz JMGHVWNHKHVPCL-NBQZKYEYSA-N -1 3 342.439 2.667 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccn(CC(C)C)n2)c1 ZINC000892491931 717952147 /nfs/dbraw/zinc/95/21/47/717952147.db2.gz PMELOPQZRNCHIV-OAHLLOKOSA-N -1 3 340.383 2.509 20 30 EFEDHM N#Cc1ccc(CN2CCN(Cc3ccc([O-])c(F)c3)CC2)cc1 ZINC000891495042 714784537 /nfs/dbraw/zinc/78/45/37/714784537.db2.gz JJGOWSHLMZXLDV-UHFFFAOYSA-N -1 3 325.387 2.721 20 30 EFEDHM C=C1CCC(C(=O)N(C)C[C@H]2CCN2C(=O)c2ccccc2[O-])CC1 ZINC000978319213 716977996 /nfs/dbraw/zinc/97/79/96/716977996.db2.gz FABKBFDDFZQPHP-MRXNPFEDSA-N -1 3 342.439 2.812 20 30 EFEDHM CC1(C)CN(CC#Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1[O-] ZINC000972815611 717356173 /nfs/dbraw/zinc/35/61/73/717356173.db2.gz VBPPAEKSONQEQD-HXUWFJFHSA-N -1 3 348.446 2.884 20 30 EFEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=Cc1ccc2ccccc2n1 ZINC000255680523 717402133 /nfs/dbraw/zinc/40/21/33/717402133.db2.gz DYXTZYQOYBKCIG-BLIJAFNYSA-N -1 3 342.358 2.991 20 30 EFEDHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2cccc(F)c2C#N)s1 ZINC000125842824 718108707 /nfs/dbraw/zinc/10/87/07/718108707.db2.gz FVMAYYBLATULJW-UHFFFAOYSA-N -1 3 339.417 2.676 20 30 EFEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)c1 ZINC000177597770 718119153 /nfs/dbraw/zinc/11/91/53/718119153.db2.gz SNKOSJKSMJKUSS-ZDUSSCGKSA-N -1 3 330.365 2.726 20 30 EFEDHM N#CCC[C@@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000255920825 718369925 /nfs/dbraw/zinc/36/99/25/718369925.db2.gz HYXQAVDOOMRRSZ-MTMYEVCSSA-N -1 3 331.375 2.932 20 30 EFEDHM CC(=O)Nc1ccccc1C(F)(F)C(=O)[N-][C@H](C#N)C1CCCC1 ZINC000893710798 719901348 /nfs/dbraw/zinc/90/13/48/719901348.db2.gz VVLUEXWUQNMDSX-OAHLLOKOSA-N -1 3 335.354 2.935 20 30 EFEDHM CCC#CCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000893840008 720119576 /nfs/dbraw/zinc/11/95/76/720119576.db2.gz GMXYGMLOOCFXBH-UHFFFAOYSA-N -1 3 349.330 2.647 20 30 EFEDHM C=CC1(OC(=O)c2cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c2)CC1 ZINC000893364435 721021668 /nfs/dbraw/zinc/02/16/68/721021668.db2.gz SZUPSQPUKKJYKL-UHFFFAOYSA-N -1 3 349.330 2.952 20 30 EFEDHM Cn1c(=O)c2ccccc2nc1NN=Cc1cc(Cl)ccc1[O-] ZINC000917596592 728763874 /nfs/dbraw/zinc/76/38/74/728763874.db2.gz UFTKAJFIUSXUKN-UHFFFAOYSA-N -1 3 328.759 2.739 20 30 EFEDHM C=C1CC(C)(C(=O)NCC[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001059196591 722887192 /nfs/dbraw/zinc/88/71/92/722887192.db2.gz YIBTUCAOAKKDCH-OAHLLOKOSA-N -1 3 342.439 2.717 20 30 EFEDHM C=C(C)C[C@H](C)C(=O)NCC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001059196555 722887324 /nfs/dbraw/zinc/88/73/24/722887324.db2.gz XWUNKNZEQOTJRX-HOTGVXAUSA-N -1 3 344.455 2.963 20 30 EFEDHM C=C1CC(C)(C(=O)N2CCC[C@@H](N(C)C(=O)c3ccccc3[O-])C2)C1 ZINC000984620923 723187283 /nfs/dbraw/zinc/18/72/83/723187283.db2.gz WBTJQNPUYCLZQV-OAHLLOKOSA-N -1 3 342.439 2.812 20 30 EFEDHM C=C[C@](C)(CCOC)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000191138929 723215897 /nfs/dbraw/zinc/21/58/97/723215897.db2.gz HVTCZAYHZSQKQL-LJQANCHMSA-N -1 3 346.427 2.568 20 30 EFEDHM Cc1ncc(CO)c(/C=N\CCc2cc(C(F)(F)F)ccn2)c1[O-] ZINC000840704410 723432356 /nfs/dbraw/zinc/43/23/56/723432356.db2.gz ABCLWLAYMZEQGB-ZBKNUEDVSA-N -1 3 339.317 2.663 20 30 EFEDHM O=C1[C@H](NCc2cnc(-c3ccc(Cl)cc3)s2)CCCN1[O-] ZINC000895159064 723487440 /nfs/dbraw/zinc/48/74/40/723487440.db2.gz RKHHCJXTCFPANO-CYBMUJFWSA-N -1 3 337.832 2.933 20 30 EFEDHM O=C1[C@@H](NCc2cc(Br)ccc2Cl)CCCN1[O-] ZINC000895165797 723508686 /nfs/dbraw/zinc/50/86/86/723508686.db2.gz MYGOWQUPPIVHDJ-NSHDSACASA-N -1 3 333.613 2.572 20 30 EFEDHM O=C1[C@@H](NCc2csc(-c3ccc(Cl)cc3)n2)CCCN1[O-] ZINC000895165762 723508722 /nfs/dbraw/zinc/50/87/22/723508722.db2.gz MPJKWIFNNRMUQA-ZDUSSCGKSA-N -1 3 337.832 2.933 20 30 EFEDHM CO[C@@H]1COCC[C@@H]1C/N=C\c1cc(Br)ccc1[O-] ZINC000840705002 723513339 /nfs/dbraw/zinc/51/33/39/723513339.db2.gz BJKLZBBICNXESE-LDQHGALPSA-N -1 3 328.206 2.625 20 30 EFEDHM O=C1[C@@H](NCc2ccc(Br)cc2Cl)CCCN1[O-] ZINC000895167251 723515324 /nfs/dbraw/zinc/51/53/24/723515324.db2.gz WCUBIVWXUPJTPV-NSHDSACASA-N -1 3 333.613 2.572 20 30 EFEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(C3CC(=C)C3)no2)ccc1F ZINC000896885493 723568446 /nfs/dbraw/zinc/56/84/46/723568446.db2.gz ZEADAISVCRMBCK-UHFFFAOYSA-N -1 3 349.387 2.774 20 30 EFEDHM COc1cc(F)cc(C[C@@H](C)/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000840708459 723848741 /nfs/dbraw/zinc/84/87/41/723848741.db2.gz BMDYDAMQIFZBDN-GXBAXFRPSA-N -1 3 332.375 2.786 20 30 EFEDHM CC(C)(C/N=C/c1cc(Cl)ccc1[O-])[C@H]1COCC12OCCO2 ZINC000840710436 723929752 /nfs/dbraw/zinc/92/97/52/723929752.db2.gz JKZJHZZIBBJHFQ-ODGHKMFZSA-N -1 3 339.819 2.880 20 30 EFEDHM CC(C)(C/N=C\c1cc(Cl)ccc1[O-])[C@H]1COCC12OCCO2 ZINC000840710442 723938862 /nfs/dbraw/zinc/93/88/62/723938862.db2.gz JKZJHZZIBBJHFQ-XXZGICNZSA-N -1 3 339.819 2.880 20 30 EFEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C1CC1)C(F)(F)F ZINC000126975529 724074025 /nfs/dbraw/zinc/07/40/25/724074025.db2.gz KMZJKCLFPBLNCI-CQSZACIVSA-N -1 3 342.317 2.680 20 30 EFEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccccc1 ZINC000918486792 728882143 /nfs/dbraw/zinc/88/21/43/728882143.db2.gz FWCYDTOXGCXJAR-INIZCTEOSA-N -1 3 345.362 2.537 20 30 EFEDHM COc1cccc(NC(=O)C(C#N)=C([O-])c2cccc3c[nH]nc32)c1 ZINC000127149284 724210944 /nfs/dbraw/zinc/21/09/44/724210944.db2.gz CKUIQRLASMAVRZ-HNNXBMFYSA-N -1 3 334.335 2.533 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737709970 724280656 /nfs/dbraw/zinc/28/06/56/724280656.db2.gz SPSZQXFJVVWKIK-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM N#Cc1cc(NC(=O)Cc2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737709970 724280660 /nfs/dbraw/zinc/28/06/60/724280660.db2.gz SPSZQXFJVVWKIK-UHFFFAOYSA-N -1 3 338.758 2.573 20 30 EFEDHM C=CCC(C)(C)C(=O)N1CC[C@@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001059653181 724901715 /nfs/dbraw/zinc/90/17/15/724901715.db2.gz ARVHIBVZEKSWKL-OAHLLOKOSA-N -1 3 344.455 2.963 20 30 EFEDHM C=CC(C)(C)C(=O)N1CCC([C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC000986944770 724976194 /nfs/dbraw/zinc/97/61/94/724976194.db2.gz CCXMKXHDUAECJH-CQSZACIVSA-N -1 3 344.455 2.961 20 30 EFEDHM COc1cc(C=NNCCCc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000729145735 725459275 /nfs/dbraw/zinc/45/92/75/725459275.db2.gz BWKULSOOIFJXNY-UHFFFAOYSA-N -1 3 329.356 2.865 20 30 EFEDHM C=CC(C)(C)C(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC000988187039 726110891 /nfs/dbraw/zinc/11/08/91/726110891.db2.gz JQWFZSHYHKYXJJ-CQSZACIVSA-N -1 3 330.428 2.525 20 30 EFEDHM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)c1 ZINC000914877366 726804229 /nfs/dbraw/zinc/80/42/29/726804229.db2.gz WPOJMGDMLBDDKM-UHFFFAOYSA-N -1 3 345.420 2.802 20 30 EFEDHM C=CCSc1ccccc1NC(=O)COC(=O)c1cncc([O-])c1 ZINC000732394208 727064982 /nfs/dbraw/zinc/06/49/82/727064982.db2.gz ZHUPCHLIFMJYCC-UHFFFAOYSA-N -1 3 344.392 2.861 20 30 EFEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccoc2C)cc1 ZINC000130402340 727110668 /nfs/dbraw/zinc/11/06/68/727110668.db2.gz NVAZZXPNCHFHKT-HNNXBMFYSA-N -1 3 340.335 2.726 20 30 EFEDHM C=CCC[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908751081 727256722 /nfs/dbraw/zinc/25/67/22/727256722.db2.gz ISCRQKKXDJSNTK-IAGOWNOFSA-N -1 3 345.443 2.542 20 30 EFEDHM C=CCC[C@H](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908884013 727281084 /nfs/dbraw/zinc/28/10/84/727281084.db2.gz GYKPKUVHKCOTPK-XIRDDKMYSA-N -1 3 345.443 2.541 20 30 EFEDHM C=CCCC[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)C(=O)[O-] ZINC000910914135 727471691 /nfs/dbraw/zinc/47/16/91/727471691.db2.gz CGOOILYRCKEPRV-QGZVFWFLSA-N -1 3 330.428 2.822 20 30 EFEDHM Cc1ccc(C(=O)C=CC(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)cc1 ZINC000911809635 727602434 /nfs/dbraw/zinc/60/24/34/727602434.db2.gz NPFIZQUAXBSYQU-KTKRTIGZSA-N -1 3 339.395 2.589 20 30 EFEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1[O-] ZINC000915981504 727645194 /nfs/dbraw/zinc/64/51/94/727645194.db2.gz DNZIULFQRVFTHQ-PQDFQZGZSA-N -1 3 339.395 2.653 20 30 EFEDHM O=C1OCCN1Cc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000915982264 727645449 /nfs/dbraw/zinc/64/54/49/727645449.db2.gz VCTDINQWHOQUAS-UHFFFAOYSA-N -1 3 328.324 2.506 20 30 EFEDHM COCCCNC(=S)NN=C(C)c1ccc2ccccc2c1[O-] ZINC000916279712 727673045 /nfs/dbraw/zinc/67/30/45/727673045.db2.gz GVHXNHZALJDILV-UHFFFAOYSA-N -1 3 331.441 2.770 20 30 EFEDHM CC(=NNC(=S)NC1CC1)c1cc(Br)ccc1[O-] ZINC000916282350 727673616 /nfs/dbraw/zinc/67/36/16/727673616.db2.gz PWVCACIWZJUYRX-UHFFFAOYSA-N -1 3 328.235 2.505 20 30 EFEDHM CC(=NNS(=O)(=O)c1cc(C)ccc1C)c1cc(F)ccc1[O-] ZINC000916288083 727674093 /nfs/dbraw/zinc/67/40/93/727674093.db2.gz LWCPFSOBYVZYPN-UHFFFAOYSA-N -1 3 336.388 2.851 20 30 EFEDHM COc1cc(CN=Nc2ncnc3sccc32)cc([N+](=O)[O-])c1[O-] ZINC000916368087 727679772 /nfs/dbraw/zinc/67/97/72/727679772.db2.gz GMLIIHVMMSQQQO-UHFFFAOYSA-N -1 3 345.340 2.760 20 30 EFEDHM C=CCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001060667228 727712653 /nfs/dbraw/zinc/71/26/53/727712653.db2.gz QVOJPMMHMDZZIP-SHTZXODSSA-N -1 3 330.428 2.763 20 30 EFEDHM C=CCCSCC[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000917233727 727788750 /nfs/dbraw/zinc/78/87/50/727788750.db2.gz QCQWURGEXLWASJ-UHFFFAOYSA-N -1 3 337.413 2.561 20 30 EFEDHM CN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccc(C)o1 ZINC000254702839 727906231 /nfs/dbraw/zinc/90/62/31/727906231.db2.gz CZDSRSWMHYFSKR-UHFFFAOYSA-N -1 3 329.381 2.942 20 30 EFEDHM O=C(NC1CN(CC#Cc2cccc(Cl)c2)C1)c1ccccc1[O-] ZINC001030112212 728079834 /nfs/dbraw/zinc/07/98/34/728079834.db2.gz IXHFRTRPNAQDAB-UHFFFAOYSA-N -1 3 340.810 2.511 20 30 EFEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C(C)(C)C)[nH]n1 ZINC000129988930 728537855 /nfs/dbraw/zinc/53/78/55/728537855.db2.gz WJBHXEMXYFEYPH-NSHDSACASA-N -1 3 340.383 2.677 20 30 EFEDHM N#Cc1ccc(CN(C(=O)c2nnc3ccccc3c2[O-])C2CC2)cc1 ZINC000171862549 728557901 /nfs/dbraw/zinc/55/79/01/728557901.db2.gz REWVBBIENKINKM-UHFFFAOYSA-N -1 3 344.374 2.600 20 30 EFEDHM O=C(Cc1ccn(-c2ccccc2)n1)N([O-])Cc1ccc(F)cc1 ZINC000901372798 729167665 /nfs/dbraw/zinc/16/76/65/729167665.db2.gz MOPJOAJXCYYFCD-UHFFFAOYSA-N -1 3 325.343 2.972 20 30 EFEDHM Cc1cccc2c1OCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920384419 729178238 /nfs/dbraw/zinc/17/82/38/729178238.db2.gz VMJJOKQKXLUYMK-UHFFFAOYSA-N -1 3 330.409 2.601 20 30 EFEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000920383107 729178297 /nfs/dbraw/zinc/17/82/97/729178297.db2.gz GERZVCMGGLOEIV-UHFFFAOYSA-N -1 3 331.441 2.596 20 30 EFEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1OC ZINC000175112096 729478335 /nfs/dbraw/zinc/47/83/35/729478335.db2.gz HUWDDWFQLJXLSJ-ZDUSSCGKSA-N -1 3 342.351 2.875 20 30 EFEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000180849706 729769756 /nfs/dbraw/zinc/76/97/56/729769756.db2.gz YMCUTYKNGXEHFG-SNVBAGLBSA-N -1 3 347.383 2.775 20 30 EFEDHM