smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(-c3ccncc3)s2)o1 ZINC000819965442 945320479 /nfs/dbraw/zinc/32/04/79/945320479.db2.gz HENXIMKQAILLFA-UHFFFAOYSA-N -1 1 395.452 3.117 20 30 GGEDMM C=CCn1c(Sc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccccc1C ZINC001573347598 947573547 /nfs/dbraw/zinc/57/35/47/947573547.db2.gz DQJQEQNGXAYYPF-UHFFFAOYSA-N -1 1 376.449 3.166 20 30 GGEDMM C=CCn1c(Sc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccccc1C ZINC001573347598 947573557 /nfs/dbraw/zinc/57/35/57/947573557.db2.gz DQJQEQNGXAYYPF-UHFFFAOYSA-N -1 1 376.449 3.166 20 30 GGEDMM CC(C)(C)C1CCC(C#N)(NC(=O)c2cc(F)c(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573825237 949867968 /nfs/dbraw/zinc/86/79/68/949867968.db2.gz OCZFZXFSEXXHEF-UHFFFAOYSA-N -1 1 388.422 3.373 20 30 GGEDMM CC(C)(C)C1CCC(C#N)(NC(=O)c2cc(F)c(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573825237 949867982 /nfs/dbraw/zinc/86/79/82/949867982.db2.gz OCZFZXFSEXXHEF-UHFFFAOYSA-N -1 1 388.422 3.373 20 30 GGEDMM CC(C)(C)Oc1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)s2)cc1C#N ZINC001573876114 950663071 /nfs/dbraw/zinc/66/30/71/950663071.db2.gz DKRCJFNTEDAFKI-UHFFFAOYSA-N -1 1 397.464 3.299 20 30 GGEDMM CC(C)(C)c1ccc(C(C)(C)CNc2cnc(C#N)c(-c3nn[n-]n3)n2)cc1 ZINC001573881254 950750588 /nfs/dbraw/zinc/75/05/88/950750588.db2.gz BKJLNTUIJVYLSB-UHFFFAOYSA-N -1 1 376.468 3.216 20 30 GGEDMM N#Cc1cc2c(n(Cc3cccc(C(=O)[O-])c3)c1=O)CCN(Cc1ccccc1)C2 ZINC001594617688 956253250 /nfs/dbraw/zinc/25/32/50/956253250.db2.gz SWSRHKCCQXMQPP-UHFFFAOYSA-N -1 1 399.450 3.025 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588989316 962796652 /nfs/dbraw/zinc/79/66/52/962796652.db2.gz DLYYUIFDRALWOU-QAPCUYQASA-N -1 1 397.500 3.305 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588989314 962796877 /nfs/dbraw/zinc/79/68/77/962796877.db2.gz DLYYUIFDRALWOU-CRAIPNDOSA-N -1 1 397.500 3.305 20 30 GGEDMM N#Cc1cccc(CN2CCC(NC(=O)C3(C(=O)[O-])CCCCCC3)CC2)c1 ZINC000595999065 968504559 /nfs/dbraw/zinc/50/45/59/968504559.db2.gz IZFDJOBQCVASIJ-UHFFFAOYSA-N -1 1 383.492 3.064 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H](CC(=O)[O-])C2)ccc1Cl ZINC001605187444 972905967 /nfs/dbraw/zinc/90/59/67/972905967.db2.gz XZSTUIPTBLJHKB-HNNXBMFYSA-N -1 1 377.872 3.082 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000603969875 975014468 /nfs/dbraw/zinc/01/44/68/975014468.db2.gz JDYXTSQFAAOZSX-UHFFFAOYSA-N -1 1 384.335 3.005 20 30 GGEDMM C[C@H](CN(CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CC1)C(=O)[O-] ZINC001592226477 977419385 /nfs/dbraw/zinc/41/93/85/977419385.db2.gz ZENIQNLHKUPVIT-KGLIPLIRSA-N -1 1 375.494 3.204 20 30 GGEDMM C[C@](CC(=O)[O-])(NCC#Cc1ccc(OC(F)(F)F)cc1)c1cccnc1 ZINC001592319787 977712365 /nfs/dbraw/zinc/71/23/65/977712365.db2.gz DATGEAPOKACARU-GOSISDBHSA-N -1 1 378.350 3.311 20 30 GGEDMM C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(C(=O)[O-])cc1Br ZINC001592458830 978175054 /nfs/dbraw/zinc/17/50/54/978175054.db2.gz GEXLYMRMSNJGQI-LBPRGKRZSA-N -1 1 381.270 3.336 20 30 GGEDMM N#Cc1ccccc1S(=O)(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000739142805 978619252 /nfs/dbraw/zinc/61/92/52/978619252.db2.gz QYNISRFDVHITRI-UHFFFAOYSA-N -1 1 376.459 3.067 20 30 GGEDMM CN(C)c1nc(C=[NH+][N-]c2ccc(C(=O)[O-])cn2)c(Cl)n1-c1ccccc1 ZINC000763371981 978722685 /nfs/dbraw/zinc/72/26/85/978722685.db2.gz OFYDWERFYMCERQ-UHFFFAOYSA-N -1 1 384.827 3.131 20 30 GGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cc2c(s1)SCC(=O)N2 ZINC000778543503 978782725 /nfs/dbraw/zinc/78/27/25/978782725.db2.gz AANHIWUZLMSDCU-UHFFFAOYSA-N -1 1 377.447 3.335 20 30 GGEDMM O=C([O-])c1ccc(NN=C2COc3c2cc(Cl)cc3Br)nc1 ZINC000814890162 978896826 /nfs/dbraw/zinc/89/68/26/978896826.db2.gz IVWLNRFJQZAYCA-UHFFFAOYSA-N -1 1 382.601 3.404 20 30 GGEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@@H]2CCOC2)c1 ZINC000832935113 979057213 /nfs/dbraw/zinc/05/72/13/979057213.db2.gz VGGLSQVGALSRAO-DYESRHJHSA-N -1 1 380.444 3.198 20 30 GGEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000832935310 979057700 /nfs/dbraw/zinc/05/77/00/979057700.db2.gz ZNMWLLGENPGXGE-UTKZUKDTSA-N -1 1 380.444 3.198 20 30 GGEDMM C#CCOc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1 ZINC000833366886 979171322 /nfs/dbraw/zinc/17/13/22/979171322.db2.gz KWWGMPDKZMCFGQ-HXUWFJFHSA-N -1 1 395.455 3.290 20 30 GGEDMM CC(N=Nc1ccc(C(=O)[O-])cc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000835011585 979245466 /nfs/dbraw/zinc/24/54/66/979245466.db2.gz HNYZVLVWMYYIER-UHFFFAOYSA-N -1 1 375.375 3.336 20 30 GGEDMM C#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001588516904 983563139 /nfs/dbraw/zinc/56/31/39/983563139.db2.gz HLRYXAPKWGKKNX-INIZCTEOSA-N -1 1 383.473 3.297 20 30 GGEDMM CCN(CC)CC(=O)Nc1cccc(N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001596260101 983673119 /nfs/dbraw/zinc/67/31/19/983673119.db2.gz ITLJOHQYLKZHDV-HXUWFJFHSA-N -1 1 380.448 3.076 20 30 GGEDMM CCN1CC[C@H]1CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001596415234 984019735 /nfs/dbraw/zinc/01/97/35/984019735.db2.gz HZEHSQBPLOVSOC-FQEVSTJZSA-N -1 1 377.444 3.000 20 30 GGEDMM C=CCCc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC ZINC001588817573 984276479 /nfs/dbraw/zinc/27/64/79/984276479.db2.gz NHELBQPJTWQZND-UHFFFAOYSA-N -1 1 391.445 3.321 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)c(C(=O)[O-])s3)[nH]n2)c1C ZINC001588912086 984550249 /nfs/dbraw/zinc/55/02/49/984550249.db2.gz DDEMOSVVVWDNJU-UHFFFAOYSA-N -1 1 385.449 3.396 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3C)[nH]n2)c1C ZINC001588912656 984552289 /nfs/dbraw/zinc/55/22/89/984552289.db2.gz MCAWAEPFVMNKAM-UHFFFAOYSA-N -1 1 379.420 3.335 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3C)[nH]n2)c1C ZINC001588912826 984552626 /nfs/dbraw/zinc/55/26/26/984552626.db2.gz PETVCSZHVZRMNL-UHFFFAOYSA-N -1 1 397.410 3.474 20 30 GGEDMM CC(=O)[C@](C#N)(CCN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020861 985009376 /nfs/dbraw/zinc/00/93/76/985009376.db2.gz GJVQOGNDTPKBTF-FOIQADDNSA-N -1 1 383.473 3.071 20 30 GGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)[C@H]2C[C@@H](C(=O)[O-])C2)c1C#N ZINC001599974318 986063715 /nfs/dbraw/zinc/06/37/15/986063715.db2.gz PIGVYGJRZXBPLI-WOVMCDHWSA-N -1 1 386.496 3.215 20 30 GGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1C#N ZINC001599974318 986063725 /nfs/dbraw/zinc/06/37/25/986063725.db2.gz PIGVYGJRZXBPLI-WOVMCDHWSA-N -1 1 386.496 3.215 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC001589331470 986186235 /nfs/dbraw/zinc/18/62/35/986186235.db2.gz FPTYEUKNMXKVSJ-KBPBESRZSA-N -1 1 375.494 3.062 20 30 GGEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001597055806 986534786 /nfs/dbraw/zinc/53/47/86/986534786.db2.gz KLUTTYKKCJQTPS-UHFFFAOYSA-N -1 1 380.809 3.109 20 30 GGEDMM C[C@H](C(=O)[O-])n1cccc1C=NNc1ccc([N+](=O)[O-])cc1Br ZINC001589539690 987237065 /nfs/dbraw/zinc/23/70/65/987237065.db2.gz KHDPPYYGOXLZPW-SECBINFHSA-N -1 1 381.186 3.250 20 30 GGEDMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001598446874 991883371 /nfs/dbraw/zinc/88/33/71/991883371.db2.gz MEFQGEQHGTYXEQ-KRWDZBQOSA-N -1 1 386.411 3.054 20 30 GGEDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001593188881 994105314 /nfs/dbraw/zinc/10/53/14/994105314.db2.gz BWIYZSHBEZICKS-SPLOXXLWSA-N -1 1 397.450 3.135 20 30 GGEDMM COc1cccc([C@H](C(=O)[O-])N(C)CC[C@@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646740 994436076 /nfs/dbraw/zinc/43/60/76/994436076.db2.gz FMHYXICTGAGPSD-IFMALSPDSA-N -1 1 380.444 3.193 20 30 GGEDMM C[C@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC001593292224 994676241 /nfs/dbraw/zinc/67/62/41/994676241.db2.gz JFVPQGZJPLTXFH-LBPRGKRZSA-N -1 1 376.359 3.474 20 30 GGEDMM COC[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC001599174709 996820608 /nfs/dbraw/zinc/82/06/08/996820608.db2.gz XXUVPDUBUVICED-IAGOWNOFSA-N -1 1 389.249 3.424 20 30 GGEDMM CC1CCN(CC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC001594415149 999553355 /nfs/dbraw/zinc/55/33/55/999553355.db2.gz WROZBGBRFBTDKY-UHFFFAOYSA-N -1 1 376.456 3.455 20 30 GGEDMM Cc1sc([N-]C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c(C#N)c1C ZINC000033150900 204949948 /nfs/dbraw/zinc/94/99/48/204949948.db2.gz KAJDRYTXDHDONP-UHFFFAOYSA-N -1 1 381.479 3.159 20 30 GGEDMM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000116159813 564204482 /nfs/dbraw/zinc/20/44/82/564204482.db2.gz GNHKENDDLWZPHO-DEOSSOPVSA-N -1 1 376.503 3.406 20 30 GGEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)CCCCC2)no1 ZINC000117592624 564229170 /nfs/dbraw/zinc/22/91/70/564229170.db2.gz YPAFYWYQEDYYQP-UHFFFAOYSA-N -1 1 380.857 3.041 20 30 GGEDMM C=CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000008294889 564247904 /nfs/dbraw/zinc/24/79/04/564247904.db2.gz MMBMSDHYQIKOEV-UHFFFAOYSA-N -1 1 395.278 3.166 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000121052301 564350303 /nfs/dbraw/zinc/35/03/03/564350303.db2.gz SXBLYOKHZQVVOE-UHFFFAOYSA-N -1 1 375.837 3.139 20 30 GGEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000033152229 564410613 /nfs/dbraw/zinc/41/06/13/564410613.db2.gz GXEVJFICPZDARG-UHFFFAOYSA-N -1 1 381.841 3.134 20 30 GGEDMM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(Br)c1 ZINC000129484881 564650570 /nfs/dbraw/zinc/65/05/70/564650570.db2.gz HAWQAEHNMJEXKO-UHFFFAOYSA-N -1 1 386.658 3.478 20 30 GGEDMM C[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000064346015 564728461 /nfs/dbraw/zinc/72/84/61/564728461.db2.gz PPNANMLZKNVHIG-LBPRGKRZSA-N -1 1 377.853 3.173 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)c1 ZINC000066588266 564770326 /nfs/dbraw/zinc/77/03/26/564770326.db2.gz QGADZLNCLNHYGV-UHFFFAOYSA-N -1 1 376.503 3.266 20 30 GGEDMM CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000067124349 564785000 /nfs/dbraw/zinc/78/50/00/564785000.db2.gz LLYGXSONADIXAU-UHFFFAOYSA-N -1 1 378.841 3.154 20 30 GGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Br)cc2-n2cncn2)n1 ZINC000136094408 564844414 /nfs/dbraw/zinc/84/44/14/564844414.db2.gz BUFPUWSWSQKLRV-LBPRGKRZSA-N -1 1 388.250 3.285 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000070430534 564849001 /nfs/dbraw/zinc/84/90/01/564849001.db2.gz FGKGWZNEIPCITQ-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(I)c1 ZINC000070430536 564849073 /nfs/dbraw/zinc/84/90/73/564849073.db2.gz NQFWUYAPWOMFBY-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM Cc1cccc(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c1C#N ZINC000137699008 564864155 /nfs/dbraw/zinc/86/41/55/564864155.db2.gz OWDKIEWOTIAFSZ-UHFFFAOYSA-N -1 1 395.234 3.128 20 30 GGEDMM C[C@H](C#N)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000094062330 564895576 /nfs/dbraw/zinc/89/55/76/564895576.db2.gz PSNUCDCSCFBEQP-SNVBAGLBSA-N -1 1 388.221 3.049 20 30 GGEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000153963641 565019795 /nfs/dbraw/zinc/01/97/95/565019795.db2.gz BMIBVOXLUCHDIO-UHFFFAOYSA-N -1 1 379.235 3.324 20 30 GGEDMM COCc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000153973035 565020362 /nfs/dbraw/zinc/02/03/62/565020362.db2.gz YGPWMJUOROYWTD-UHFFFAOYSA-N -1 1 381.251 3.268 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1F ZINC000153975633 565020447 /nfs/dbraw/zinc/02/04/47/565020447.db2.gz AEIZLXMZWPDZMX-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM CN(C)c1ccccc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000154009506 565022041 /nfs/dbraw/zinc/02/20/41/565022041.db2.gz DKJNKPCFQQTBJM-UHFFFAOYSA-N -1 1 380.267 3.188 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1Br ZINC000155914584 565072793 /nfs/dbraw/zinc/07/27/93/565072793.db2.gz AMTAGCFJDXFTTL-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c(F)c1 ZINC000158011584 565152652 /nfs/dbraw/zinc/15/26/52/565152652.db2.gz PLJKCBKHUORDKH-UHFFFAOYSA-N -1 1 382.800 3.313 20 30 GGEDMM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158112539 565157694 /nfs/dbraw/zinc/15/76/94/565157694.db2.gz UJLBBFVTNKPASQ-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM COc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000185602540 565210898 /nfs/dbraw/zinc/21/08/98/565210898.db2.gz NKNVFWQFZGFZKF-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000161173549 565276551 /nfs/dbraw/zinc/27/65/51/565276551.db2.gz CDJCKTRTDHYFLH-UHFFFAOYSA-N -1 1 399.241 3.470 20 30 GGEDMM N#C[C@@H]1N(C(=O)c2ccc(Br)cc2[O-])CCC[C@]12CCCCO2 ZINC000373379465 565281168 /nfs/dbraw/zinc/28/11/68/565281168.db2.gz WTDXUOLJEBQBLU-DOTOQJQBSA-N -1 1 379.254 3.222 20 30 GGEDMM N#C[C@H]1N(C(=O)c2ccc(Br)cc2[O-])CCC[C@]12CCCCO2 ZINC000373379466 565281311 /nfs/dbraw/zinc/28/13/11/565281311.db2.gz WTDXUOLJEBQBLU-NVXWUHKLSA-N -1 1 379.254 3.222 20 30 GGEDMM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1cnn(CC(F)(F)F)c1 ZINC000186983359 565299837 /nfs/dbraw/zinc/29/98/37/565299837.db2.gz QSYNPDZJGNZUHJ-UHFFFAOYSA-N -1 1 391.268 3.404 20 30 GGEDMM C[C@H](Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1)C(=O)[O-] ZINC000187046636 565305323 /nfs/dbraw/zinc/30/53/23/565305323.db2.gz XBPCSWPKNVSMRP-LLVKDONJSA-N -1 1 378.837 3.276 20 30 GGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000187921265 565362907 /nfs/dbraw/zinc/36/29/07/565362907.db2.gz QYZXOHCUGOXDGK-UHFFFAOYSA-N -1 1 379.800 3.036 20 30 GGEDMM N#CC1([N-]C(=O)C(F)(F)c2ccccc2Br)CCSCC1 ZINC000297347036 565368776 /nfs/dbraw/zinc/36/87/76/565368776.db2.gz BEFGFZPRUYXMMU-UHFFFAOYSA-N -1 1 375.238 3.446 20 30 GGEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1ccccc1Br ZINC000188614420 565412853 /nfs/dbraw/zinc/41/28/53/565412853.db2.gz PKHQYXVJEGJGGF-NSHDSACASA-N -1 1 375.222 3.224 20 30 GGEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1ccccc1Br ZINC000188614441 565412938 /nfs/dbraw/zinc/41/29/38/565412938.db2.gz PKHQYXVJEGJGGF-LLVKDONJSA-N -1 1 375.222 3.224 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000171268400 565422740 /nfs/dbraw/zinc/42/27/40/565422740.db2.gz IGNWJPGSZZJARI-UHFFFAOYSA-N -1 1 375.837 3.287 20 30 GGEDMM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189843296 565492560 /nfs/dbraw/zinc/49/25/60/565492560.db2.gz MEWHLROMRWGEIN-UHFFFAOYSA-N -1 1 378.215 3.281 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Br ZINC000388261272 565550412 /nfs/dbraw/zinc/55/04/12/565550412.db2.gz MGPNXAZFXHKSHD-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM COc1cc(Br)cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000388914136 565552129 /nfs/dbraw/zinc/55/21/29/565552129.db2.gz CGCUWQFEUXAUPR-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM N#CCCC1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000399360428 565579058 /nfs/dbraw/zinc/57/90/58/565579058.db2.gz QCONKGGPSHEZHF-UHFFFAOYSA-N -1 1 384.217 3.153 20 30 GGEDMM Cc1ccc(I)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000312663065 565582274 /nfs/dbraw/zinc/58/22/74/565582274.db2.gz WOTHPBREBTYYBC-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(C)c1O ZINC000175915714 565733333 /nfs/dbraw/zinc/73/33/33/565733333.db2.gz ARZFSOQUNINULA-UHFFFAOYSA-N -1 1 381.251 3.444 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)CC[C@@H]3CCOC3)nc2C)n[n-]c1=S ZINC000175928010 565734142 /nfs/dbraw/zinc/73/41/42/565734142.db2.gz GPSGWWZMHZSNPC-LLVKDONJSA-N -1 1 379.511 3.314 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)N(C)C ZINC000176526540 565781668 /nfs/dbraw/zinc/78/16/68/565781668.db2.gz OOJNHWBJKFTHTM-UHFFFAOYSA-N -1 1 377.853 3.023 20 30 GGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1Br ZINC000176722050 565798292 /nfs/dbraw/zinc/79/82/92/565798292.db2.gz IHUHLVPSIYZIGQ-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000194208878 565801922 /nfs/dbraw/zinc/80/19/22/565801922.db2.gz IOKOSNWGCAEBMT-UHFFFAOYSA-N -1 1 377.853 3.152 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1Br ZINC000179025632 565953123 /nfs/dbraw/zinc/95/31/23/565953123.db2.gz NVOURSWKASCHNQ-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(I)c1 ZINC000179028441 565953521 /nfs/dbraw/zinc/95/35/21/565953521.db2.gz BBKGNIYKCCNQFM-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM C=CCSCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000179320250 565972305 /nfs/dbraw/zinc/97/23/05/565972305.db2.gz PAOSGBTVJMMABS-UHFFFAOYSA-N -1 1 388.711 3.439 20 30 GGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1Br ZINC000180013685 566025165 /nfs/dbraw/zinc/02/51/65/566025165.db2.gz BEFNAOWSMHXQQQ-UHFFFAOYSA-N -1 1 397.250 3.139 20 30 GGEDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)OCO2 ZINC000180355890 566057426 /nfs/dbraw/zinc/05/74/26/566057426.db2.gz HRKINPJJHLIRAQ-UHFFFAOYSA-N -1 1 395.234 3.159 20 30 GGEDMM COC(=O)C1(CS(=O)(=O)[N-]c2ccccc2SCCC#N)CCCC1 ZINC000290556787 566178371 /nfs/dbraw/zinc/17/83/71/566178371.db2.gz RDNUAYYDYGPARI-UHFFFAOYSA-N -1 1 382.507 3.167 20 30 GGEDMM CCOc1cc(-c2noc(C3(C#N)CCOCC3)n2)cc(Br)c1[O-] ZINC000265157088 566232220 /nfs/dbraw/zinc/23/22/20/566232220.db2.gz IEGKANQKBLKVDK-UHFFFAOYSA-N -1 1 394.225 3.175 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)c(Cl)c1 ZINC000183098213 566238150 /nfs/dbraw/zinc/23/81/50/566238150.db2.gz GBELZPAUFZAFSM-UHFFFAOYSA-N -1 1 378.837 3.420 20 30 GGEDMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000535138891 566280012 /nfs/dbraw/zinc/28/00/12/566280012.db2.gz SPAYMIYSNNMHEB-UHFFFAOYSA-N -1 1 376.459 3.014 20 30 GGEDMM C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000483504465 566387854 /nfs/dbraw/zinc/38/78/54/566387854.db2.gz OTUTXEABUFBWPR-SNVBAGLBSA-N -1 1 379.825 3.375 20 30 GGEDMM N#C[C@H]1N(C(=O)c2ccc(Br)c([O-])c2)CCC[C@@]12CCCCO2 ZINC000577674907 566455582 /nfs/dbraw/zinc/45/55/82/566455582.db2.gz UOBVQLPJUFUVJO-WBVHZDCISA-N -1 1 379.254 3.222 20 30 GGEDMM CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000485258662 566486084 /nfs/dbraw/zinc/48/60/84/566486084.db2.gz HCSNOLREVHMRCY-UHFFFAOYSA-N -1 1 380.853 3.162 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1Cl ZINC000603974065 566548527 /nfs/dbraw/zinc/54/85/27/566548527.db2.gz FZQHAVBEJBHBIT-UHFFFAOYSA-N -1 1 385.228 3.452 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)o1 ZINC000578869402 566560518 /nfs/dbraw/zinc/56/05/18/566560518.db2.gz XYYQAKDPHWOBCX-XYPYZODXSA-N -1 1 399.241 3.277 20 30 GGEDMM Cc1c(C#N)cccc1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000578942752 566566783 /nfs/dbraw/zinc/56/67/83/566566783.db2.gz KFJOXTLMPRSLEO-UHFFFAOYSA-N -1 1 398.271 3.091 20 30 GGEDMM Cn1nc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000629289185 566637018 /nfs/dbraw/zinc/63/70/18/566637018.db2.gz YNFCANBTOLJFTL-UHFFFAOYSA-N -1 1 391.268 3.398 20 30 GGEDMM Cc1ccc(C#N)cc1NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000579769783 566637250 /nfs/dbraw/zinc/63/72/50/566637250.db2.gz CFRUHGMQLTZAAI-UHFFFAOYSA-N -1 1 398.271 3.091 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)o1 ZINC000579867844 566646516 /nfs/dbraw/zinc/64/65/16/566646516.db2.gz GIQWJYFPKZWEIU-NSHDSACASA-N -1 1 386.260 3.015 20 30 GGEDMM O=S(=O)([N-]CC#Cc1ccc(C(F)(F)F)cc1)c1cccc(F)c1F ZINC000487440637 566672578 /nfs/dbraw/zinc/67/25/78/566672578.db2.gz DRVUQILTIAHAFF-UHFFFAOYSA-N -1 1 375.318 3.314 20 30 GGEDMM COc1ccc(Br)cc1[C@@H](NCc1ccc(C#N)cc1)C(=O)[O-] ZINC000426746470 566727870 /nfs/dbraw/zinc/72/78/70/566727870.db2.gz YNKKBDFNOYDDMC-MRXNPFEDSA-N -1 1 375.222 3.245 20 30 GGEDMM CC(C)CCc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)[nH]n1 ZINC000468857874 566736997 /nfs/dbraw/zinc/73/69/97/566736997.db2.gz HASDNWBKTJKHKG-UHFFFAOYSA-N -1 1 397.298 3.433 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1I ZINC000427096290 566746947 /nfs/dbraw/zinc/74/69/47/566746947.db2.gz FSYHGCZNPCVZKR-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000427211615 566758216 /nfs/dbraw/zinc/75/82/16/566758216.db2.gz XMHGEDFLGUVTEI-UHFFFAOYSA-N -1 1 378.837 3.498 20 30 GGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Br ZINC000427245964 566759585 /nfs/dbraw/zinc/75/95/85/566759585.db2.gz LGCNNGQFPSRVLL-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000427254949 566760492 /nfs/dbraw/zinc/76/04/92/566760492.db2.gz BKLWXKVXRXLRPI-UHFFFAOYSA-N -1 1 378.837 3.498 20 30 GGEDMM COc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)ccc1Br ZINC000562236836 566773588 /nfs/dbraw/zinc/77/35/88/566773588.db2.gz OSQCLUKWUJOBPZ-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C(F)(F)F)cc1F ZINC000489489876 566791800 /nfs/dbraw/zinc/79/18/00/566791800.db2.gz AGNPUTWCUQSWPU-AWEZNQCLSA-N -1 1 376.306 3.418 20 30 GGEDMM N#CCN1CCC(C[N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451317135 566794115 /nfs/dbraw/zinc/79/41/15/566794115.db2.gz VACLXNVGBHYPJA-UHFFFAOYSA-N -1 1 383.926 3.069 20 30 GGEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1Cl ZINC000610123714 566807726 /nfs/dbraw/zinc/80/77/26/566807726.db2.gz OYNZSMKBVBFILZ-UHFFFAOYSA-N -1 1 378.837 3.498 20 30 GGEDMM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1cccc(OC(F)(F)F)c1F ZINC000489882538 566816169 /nfs/dbraw/zinc/81/61/69/566816169.db2.gz JAOBJLMWZACJQA-UHFFFAOYSA-N -1 1 381.269 3.344 20 30 GGEDMM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000517706927 566842430 /nfs/dbraw/zinc/84/24/30/566842430.db2.gz IDFMFXNKBZVLFQ-UHFFFAOYSA-N -1 1 382.825 3.292 20 30 GGEDMM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000582218785 566842664 /nfs/dbraw/zinc/84/26/64/566842664.db2.gz YIDQMRDMVJFUNM-NSHDSACASA-N -1 1 385.205 3.330 20 30 GGEDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)C(F)(F)F ZINC000582218784 566842698 /nfs/dbraw/zinc/84/26/98/566842698.db2.gz YIDQMRDMVJFUNM-LLVKDONJSA-N -1 1 385.205 3.330 20 30 GGEDMM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)s1 ZINC000610676088 566851722 /nfs/dbraw/zinc/85/17/22/566851722.db2.gz RYDQXNKVDJNMKF-VIFPVBQESA-N -1 1 383.882 3.271 20 30 GGEDMM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)s1 ZINC000610676087 566852991 /nfs/dbraw/zinc/85/29/91/566852991.db2.gz RYDQXNKVDJNMKF-SECBINFHSA-N -1 1 383.882 3.271 20 30 GGEDMM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000518643655 566897148 /nfs/dbraw/zinc/89/71/48/566897148.db2.gz PUESBRGOZCJOFD-UHFFFAOYSA-N -1 1 376.459 3.264 20 30 GGEDMM O=C1[N-][C@@H](CC(F)(F)F)C(=O)N1Cc1cc(F)c(C(F)(F)F)cc1F ZINC000491204883 566897839 /nfs/dbraw/zinc/89/78/39/566897839.db2.gz GFJLFHIBWSZNRH-VIFPVBQESA-N -1 1 376.203 3.356 20 30 GGEDMM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000611247423 566904306 /nfs/dbraw/zinc/90/43/06/566904306.db2.gz RVMUWEOXEYXJEG-SECBINFHSA-N -1 1 383.670 3.458 20 30 GGEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000451910109 566904768 /nfs/dbraw/zinc/90/47/68/566904768.db2.gz MPQSLTBMKKDYEA-NEPJUHHUSA-N -1 1 398.681 3.254 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)o1 ZINC000563907096 566928456 /nfs/dbraw/zinc/92/84/56/566928456.db2.gz XDTQOHDLXAPOPQ-JTQLQIEISA-N -1 1 386.260 3.015 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)cc1C ZINC000471569202 566960951 /nfs/dbraw/zinc/96/09/51/566960951.db2.gz FYDWXRHPRLCJRQ-UHFFFAOYSA-N -1 1 378.837 3.416 20 30 GGEDMM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471585829 566962864 /nfs/dbraw/zinc/96/28/64/566962864.db2.gz NLOLGTJXWFQYGR-UHFFFAOYSA-N -1 1 386.670 3.113 20 30 GGEDMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)c1cccc(C#N)c1 ZINC000612829102 566999916 /nfs/dbraw/zinc/99/99/16/566999916.db2.gz HXKTUNHMBBYFNB-JTQLQIEISA-N -1 1 392.196 3.359 20 30 GGEDMM COc1cc(S(=O)(=O)Nc2cccc(C#N)c2C)c(Cl)cc1C(=O)[O-] ZINC000431199858 567065948 /nfs/dbraw/zinc/06/59/48/567065948.db2.gz ZGNNCCSVDWWDBH-UHFFFAOYSA-N -1 1 380.809 3.028 20 30 GGEDMM N#Cc1cncc(S(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)c1 ZINC000565449603 567068755 /nfs/dbraw/zinc/06/87/55/567068755.db2.gz JEZPKZJPLSFHMN-CYBMUJFWSA-N -1 1 393.749 3.328 20 30 GGEDMM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000523124771 567144869 /nfs/dbraw/zinc/14/48/69/567144869.db2.gz HDUSELRJFDBCAG-UHFFFAOYSA-N -1 1 378.837 3.118 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)Nc2n[nH]c(-c3ccccc3Br)n2)c1 ZINC000589166330 567160839 /nfs/dbraw/zinc/16/08/39/567160839.db2.gz FOUILAIBFYLKCH-UHFFFAOYSA-N -1 1 384.193 3.064 20 30 GGEDMM COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)cc(OC)c1Br ZINC000589196477 567164321 /nfs/dbraw/zinc/16/43/21/567164321.db2.gz GGOKSYSFERUOAK-UHFFFAOYSA-N -1 1 377.194 3.296 20 30 GGEDMM COc1cc(OC)c(NC(=O)c2cc([O-])cc(C#N)c2)cc1Br ZINC000589207947 567167385 /nfs/dbraw/zinc/16/73/85/567167385.db2.gz FCPXVACKZYULCH-UHFFFAOYSA-N -1 1 377.194 3.296 20 30 GGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c1 ZINC000589594276 567184883 /nfs/dbraw/zinc/18/48/83/567184883.db2.gz STUQBXAPOZMREC-UHFFFAOYSA-N -1 1 376.235 3.188 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1Br ZINC000432770129 567188133 /nfs/dbraw/zinc/18/81/33/567188133.db2.gz QYRRDOGAYYGHLV-UHFFFAOYSA-N -1 1 379.235 3.152 20 30 GGEDMM COCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432782994 567190389 /nfs/dbraw/zinc/19/03/89/567190389.db2.gz ZSPUKQRAKPIKNW-UHFFFAOYSA-N -1 1 381.251 3.268 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=O)CC#N ZINC000475317643 567240546 /nfs/dbraw/zinc/24/05/46/567240546.db2.gz OLTWACUNMQWKJF-UHFFFAOYSA-N -1 1 379.825 3.002 20 30 GGEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000616456907 567246958 /nfs/dbraw/zinc/24/69/58/567246958.db2.gz FPVBOLGWAWHPTK-DLBZAZTESA-N -1 1 377.227 3.301 20 30 GGEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000616456913 567247581 /nfs/dbraw/zinc/24/75/81/567247581.db2.gz FPVBOLGWAWHPTK-SJORKVTESA-N -1 1 377.227 3.301 20 30 GGEDMM C=CCCC(C)(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000660143555 567270583 /nfs/dbraw/zinc/27/05/83/567270583.db2.gz WYVMDSRUHNKURC-UHFFFAOYSA-N -1 1 392.518 3.001 20 30 GGEDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(Br)c2C#N)[nH]n1 ZINC000591257804 567271513 /nfs/dbraw/zinc/27/15/13/567271513.db2.gz HFBQRVLPVAXJBM-UHFFFAOYSA-N -1 1 383.271 3.142 20 30 GGEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1Cl ZINC000475814397 567279018 /nfs/dbraw/zinc/27/90/18/567279018.db2.gz SCWYDXRVPBAPSD-UHFFFAOYSA-N -1 1 380.853 3.232 20 30 GGEDMM COc1cc(Br)cc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475807246 567279118 /nfs/dbraw/zinc/27/91/18/567279118.db2.gz HSTCDOBHFSNWPV-UHFFFAOYSA-N -1 1 381.251 3.325 20 30 GGEDMM COc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1Br ZINC000475818307 567280020 /nfs/dbraw/zinc/28/00/20/567280020.db2.gz KCXLWHVFKGXHJC-UHFFFAOYSA-N -1 1 381.251 3.325 20 30 GGEDMM C=CC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000617789077 567335176 /nfs/dbraw/zinc/33/51/76/567335176.db2.gz YATIXAFCGCZVEY-GFCCVEGCSA-N -1 1 391.320 3.086 20 30 GGEDMM CSc1nc(C)c(CCC(=O)N(CC#N)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000592650227 567352845 /nfs/dbraw/zinc/35/28/45/567352845.db2.gz IZXJMYTYFHRWLG-UHFFFAOYSA-N -1 1 376.869 3.355 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000435437198 567367517 /nfs/dbraw/zinc/36/75/17/567367517.db2.gz IWGFYFZYAIGIBK-VIFPVBQESA-N -1 1 394.865 3.363 20 30 GGEDMM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435495252 567372497 /nfs/dbraw/zinc/37/24/97/567372497.db2.gz DYICNRDGIJFACQ-UHFFFAOYSA-N -1 1 383.882 3.212 20 30 GGEDMM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435730956 567386199 /nfs/dbraw/zinc/38/61/99/567386199.db2.gz HMZJAZDGVNRCOK-UHFFFAOYSA-N -1 1 380.809 3.028 20 30 GGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c(C(F)(F)F)c1 ZINC000549720951 567406269 /nfs/dbraw/zinc/40/62/69/567406269.db2.gz AVIVZCFHKMLKNB-UHFFFAOYSA-N -1 1 377.388 3.345 20 30 GGEDMM N#Cc1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)ccc1C(F)(F)F ZINC000550790444 567462052 /nfs/dbraw/zinc/46/20/52/567462052.db2.gz LNXRXLAPWMHXSD-UHFFFAOYSA-N -1 1 384.261 3.120 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c1 ZINC000619732493 567476693 /nfs/dbraw/zinc/47/66/93/567476693.db2.gz OTRZVBXWDYCLGP-CQSZACIVSA-N -1 1 377.169 3.029 20 30 GGEDMM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000570386289 567480605 /nfs/dbraw/zinc/48/06/05/567480605.db2.gz LXTYLCRLEFPJDG-IINYFYTJSA-N -1 1 375.263 3.339 20 30 GGEDMM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000479168515 567511314 /nfs/dbraw/zinc/51/13/14/567511314.db2.gz YOFXHKMHJCWBLI-QMTHXVAHSA-N -1 1 375.263 3.339 20 30 GGEDMM N#CC1(CS(=O)(=O)[N-]C[C@@H](OC2CCCC2)C(F)(F)F)CCCCC1 ZINC000594819706 567516122 /nfs/dbraw/zinc/51/61/22/567516122.db2.gz UKBPHMVFJNPOFA-CQSZACIVSA-N -1 1 382.448 3.270 20 30 GGEDMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000479265175 567520748 /nfs/dbraw/zinc/52/07/48/567520748.db2.gz HSYNNYTYRUTVEW-UHFFFAOYSA-N -1 1 398.893 3.033 20 30 GGEDMM Cc1oc(C#N)cc1C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000438256962 567525534 /nfs/dbraw/zinc/52/55/34/567525534.db2.gz JNMQYDFRCBRHML-UHFFFAOYSA-N -1 1 377.223 3.348 20 30 GGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c1 ZINC000479523521 567541773 /nfs/dbraw/zinc/54/17/73/567541773.db2.gz QFCDPJSXNZSUDI-UHFFFAOYSA-N -1 1 379.800 3.036 20 30 GGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000439248952 567576630 /nfs/dbraw/zinc/57/66/30/567576630.db2.gz JBTWPEOAAYULCL-UHFFFAOYSA-N -1 1 396.266 3.172 20 30 GGEDMM N#Cc1nc(NC2CCC(N=c3[n-]c(C#N)c(Cl)s3)CC2)sc1Cl ZINC000596078354 567607312 /nfs/dbraw/zinc/60/73/12/567607312.db2.gz WVTKHAYHRJAWEW-UHFFFAOYSA-N -1 1 399.332 3.329 20 30 GGEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(Br)c1 ZINC000553480039 567657663 /nfs/dbraw/zinc/65/76/63/567657663.db2.gz XVJNNBIVAJRFRC-UHFFFAOYSA-N -1 1 383.267 3.170 20 30 GGEDMM N#Cc1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)ccc1OC(F)(F)F ZINC000442231997 567686613 /nfs/dbraw/zinc/68/66/13/567686613.db2.gz BNAYHPDVVUAMQS-UHFFFAOYSA-N -1 1 392.336 3.017 20 30 GGEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1Br ZINC000553868882 567693544 /nfs/dbraw/zinc/69/35/44/567693544.db2.gz FBBDWMJBQOYFKN-UHFFFAOYSA-N -1 1 383.267 3.170 20 30 GGEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3C#N)CCCCC2)no1 ZINC000443011624 567723078 /nfs/dbraw/zinc/72/30/78/567723078.db2.gz QDTDYNUCHZUOHI-UHFFFAOYSA-N -1 1 380.857 3.041 20 30 GGEDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C#N)c(Br)c1)OCO2 ZINC000508097266 567729291 /nfs/dbraw/zinc/72/92/91/567729291.db2.gz PNJUVKJAKIECSV-UHFFFAOYSA-N -1 1 395.234 3.159 20 30 GGEDMM C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000443084712 567730112 /nfs/dbraw/zinc/73/01/12/567730112.db2.gz ZLIJPVXKZCXJPW-AWEZNQCLSA-N -1 1 377.897 3.010 20 30 GGEDMM C=CCCSCCNC(=O)c1ccc(I)c([O-])c1 ZINC000597967402 567730500 /nfs/dbraw/zinc/73/05/00/567730500.db2.gz VWMLKGGERKMKIY-UHFFFAOYSA-N -1 1 377.247 3.036 20 30 GGEDMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000443408724 567754936 /nfs/dbraw/zinc/75/49/36/567754936.db2.gz LNFWBBAGLDJYGY-DEOSSOPVSA-N -1 1 388.392 3.115 20 30 GGEDMM Oc1ccc(C=NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)c(O)c1O ZINC000738398567 598825233 /nfs/dbraw/zinc/82/52/33/598825233.db2.gz XESWWJNDDCXTEV-JMIUGGIZSA-N -1 1 393.428 3.331 20 30 GGEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000819855868 597607673 /nfs/dbraw/zinc/60/76/73/597607673.db2.gz DNKWFXDRVVTYJD-CYBMUJFWSA-N -1 1 390.268 3.160 20 30 GGEDMM Cc1cc(C)n(N=Cc2sc3ccccc3c2Cl)c(=O)c1-c1nn[n-]n1 ZINC000737255722 598233783 /nfs/dbraw/zinc/23/37/83/598233783.db2.gz DSBMSXWIKZXYAV-UHFFFAOYSA-N -1 1 384.852 3.396 20 30 GGEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735963112 598401510 /nfs/dbraw/zinc/40/15/10/598401510.db2.gz ALAPOHZZWBRYBF-GFCCVEGCSA-N -1 1 380.383 3.172 20 30 GGEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735963112 598401511 /nfs/dbraw/zinc/40/15/11/598401511.db2.gz ALAPOHZZWBRYBF-GFCCVEGCSA-N -1 1 380.383 3.172 20 30 GGEDMM COCCC(Cc1cccc(F)c1)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736979652 598787802 /nfs/dbraw/zinc/78/78/02/598787802.db2.gz SYGUANKPIHOKMQ-UHFFFAOYSA-N -1 1 387.419 3.164 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@H](C)c3c2cccc3Br)o1 ZINC000822423169 599337918 /nfs/dbraw/zinc/33/79/18/599337918.db2.gz IOXHHFLPYSBRHP-ZETCQYMHSA-N -1 1 388.229 3.249 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2C[C@@H](C)c3c2cccc3Br)o1 ZINC000822423168 599338457 /nfs/dbraw/zinc/33/84/57/599338457.db2.gz IOXHHFLPYSBRHP-SSDOTTSWSA-N -1 1 388.229 3.249 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)ccc2Br)o1 ZINC000822423036 599338466 /nfs/dbraw/zinc/33/84/66/599338466.db2.gz HIHAFJHOJDIJHS-UHFFFAOYSA-N -1 1 382.609 3.025 20 30 GGEDMM N#Cc1ccc(OC2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)cc1 ZINC000822833878 599526746 /nfs/dbraw/zinc/52/67/46/599526746.db2.gz YVNSPIILHZUMMP-UHFFFAOYSA-N -1 1 397.442 3.334 20 30 GGEDMM N#Cc1ccc(OC2CCN(c3cc(-c4nn[n-]n4)nc4ccccc43)CC2)cc1 ZINC000822833878 599526749 /nfs/dbraw/zinc/52/67/49/599526749.db2.gz YVNSPIILHZUMMP-UHFFFAOYSA-N -1 1 397.442 3.334 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736200984 599838333 /nfs/dbraw/zinc/83/83/33/599838333.db2.gz FEYXMRNUCMKVIY-SNVBAGLBSA-N -1 1 382.488 3.499 20 30 GGEDMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccc(OCC#N)cc1)CC2 ZINC000737905494 599924285 /nfs/dbraw/zinc/92/42/85/599924285.db2.gz JZVRRISOUHMICG-IBGZPJMESA-N -1 1 396.443 3.180 20 30 GGEDMM CCOc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OCC(=O)[O-] ZINC000737179756 600056601 /nfs/dbraw/zinc/05/66/01/600056601.db2.gz SEQHECDIFBCHMT-ZDUSSCGKSA-N -1 1 380.356 3.180 20 30 GGEDMM CCOc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1OCC(=O)[O-] ZINC000737179756 600056602 /nfs/dbraw/zinc/05/66/02/600056602.db2.gz SEQHECDIFBCHMT-ZDUSSCGKSA-N -1 1 380.356 3.180 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736203932 600150074 /nfs/dbraw/zinc/15/00/74/600150074.db2.gz WOFGNXGWEMKARH-CQSZACIVSA-N -1 1 375.494 3.254 20 30 GGEDMM CN(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000737335095 600395329 /nfs/dbraw/zinc/39/53/29/600395329.db2.gz BZKMQTQFSKNERT-UHFFFAOYSA-N -1 1 399.350 3.492 20 30 GGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000739106845 600563023 /nfs/dbraw/zinc/56/30/23/600563023.db2.gz UDSIQUGXWIUJQW-HXUWFJFHSA-N -1 1 399.878 3.034 20 30 GGEDMM N#Cc1ccc([C@H](OC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000739112007 600803860 /nfs/dbraw/zinc/80/38/60/600803860.db2.gz XNYRSIWYLBCEAT-QUCCMNQESA-N -1 1 396.418 3.278 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCCC[C@H]2CC(=O)[O-])c1C#N ZINC000832849940 600820114 /nfs/dbraw/zinc/82/01/14/600820114.db2.gz TUXSDUJXICBHRX-SFHVURJKSA-N -1 1 394.475 3.234 20 30 GGEDMM C[C@@H](CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827455921 600823174 /nfs/dbraw/zinc/82/31/74/600823174.db2.gz PDHKTPYJGNCFGC-HNNXBMFYSA-N -1 1 376.416 3.331 20 30 GGEDMM C[C@@H](CN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827454879 600823388 /nfs/dbraw/zinc/82/33/88/600823388.db2.gz HRDIHEYVGVOLGR-HNNXBMFYSA-N -1 1 376.416 3.331 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000827217304 601132396 /nfs/dbraw/zinc/13/23/96/601132396.db2.gz BCNAWBMZMUHIHD-LSDHHAIUSA-N -1 1 390.509 3.094 20 30 GGEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000833074150 601312997 /nfs/dbraw/zinc/31/29/97/601312997.db2.gz PZMHQXBQKASPSW-LJQANCHMSA-N -1 1 397.862 3.185 20 30 GGEDMM C[C@@H](c1ccc(F)cc1F)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827934522 601314400 /nfs/dbraw/zinc/31/44/00/601314400.db2.gz HAFWDIJOXBITHV-VBKZILBWSA-N -1 1 385.414 3.341 20 30 GGEDMM CN(Cc1cc2c(cc1OC(F)F)OCO2)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811170 601320047 /nfs/dbraw/zinc/32/00/47/601320047.db2.gz QLPUTSRDIOMGIV-KRWDZBQOSA-N -1 1 390.342 3.146 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000832858808 601362831 /nfs/dbraw/zinc/36/28/31/601362831.db2.gz GGXAPDMSOLKAOT-UHFFFAOYSA-N -1 1 379.463 3.120 20 30 GGEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)[nH]c21 ZINC000832859479 601500944 /nfs/dbraw/zinc/50/09/44/601500944.db2.gz QYWUZSAMXDOMJY-HNNXBMFYSA-N -1 1 377.400 3.442 20 30 GGEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@H]2CCCO2)c1 ZINC000832933438 601851042 /nfs/dbraw/zinc/85/10/42/601851042.db2.gz BTNLFWONHTZVCX-TZIWHRDSSA-N -1 1 380.444 3.340 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN2CCCC[C@@H]2CC(=O)[O-])ccc1Cl ZINC000832888845 601857373 /nfs/dbraw/zinc/85/73/73/601857373.db2.gz LQEMZZBLMAUWEG-OAHLLOKOSA-N -1 1 377.872 3.224 20 30 GGEDMM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826027161 601922934 /nfs/dbraw/zinc/92/29/34/601922934.db2.gz UNUGNALYRHGANU-BUXKBTBVSA-N -1 1 375.494 3.012 20 30 GGEDMM CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCc1cccc(C(=O)[O-])c1C#N ZINC000833465746 604614666 /nfs/dbraw/zinc/61/46/66/604614666.db2.gz MRSWQUGLNPPUSE-HXUWFJFHSA-N -1 1 375.469 3.285 20 30 GGEDMM C=CCOc1c(Br)cc(CN2CCC[C@H]2CC(=O)[O-])cc1OC ZINC000833377937 604660201 /nfs/dbraw/zinc/66/02/01/604660201.db2.gz RHWUELROOLZWHD-ZDUSSCGKSA-N -1 1 384.270 3.462 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1OC ZINC000833377619 604865946 /nfs/dbraw/zinc/86/59/46/604865946.db2.gz FWLCTNKWNRCLLX-NTMALXAHSA-N -1 1 393.399 3.486 20 30 GGEDMM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(NS(C)(=O)=O)c1 ZINC000833386838 605155921 /nfs/dbraw/zinc/15/59/21/605155921.db2.gz YGYNLVSIEWDZME-UHFFFAOYSA-N -1 1 381.841 3.246 20 30 GGEDMM CC(C)C[C@@H](NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833478691 605224488 /nfs/dbraw/zinc/22/44/88/605224488.db2.gz UDJFVJAIFZZDIN-HRAATJIYSA-N -1 1 393.487 3.491 20 30 GGEDMM CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833638955 605224518 /nfs/dbraw/zinc/22/45/18/605224518.db2.gz LRTJDKDIBHHJKB-WJONJSRFSA-N -1 1 393.487 3.491 20 30 GGEDMM CC(C)C[C@H](NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833478692 605224841 /nfs/dbraw/zinc/22/48/41/605224841.db2.gz UDJFVJAIFZZDIN-IERDGZPVSA-N -1 1 393.487 3.491 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000779846093 605596927 /nfs/dbraw/zinc/59/69/27/605596927.db2.gz VQGSFSDECKGRMC-SNVBAGLBSA-N -1 1 380.809 3.130 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC[C@@H](C)c2cccc(Br)c2)o1 ZINC000822422579 606167058 /nfs/dbraw/zinc/16/70/58/606167058.db2.gz ADOKWUGQCQNDMJ-MRVPVSSYSA-N -1 1 376.218 3.127 20 30 GGEDMM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823396412 606192257 /nfs/dbraw/zinc/19/22/57/606192257.db2.gz ITIDKFIYTXOBMZ-UHFFFAOYSA-N -1 1 378.335 3.156 20 30 GGEDMM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823396412 606192258 /nfs/dbraw/zinc/19/22/58/606192258.db2.gz ITIDKFIYTXOBMZ-UHFFFAOYSA-N -1 1 378.335 3.156 20 30 GGEDMM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000822801083 606299856 /nfs/dbraw/zinc/29/98/56/606299856.db2.gz DONQOGUQFWSQLB-XJKSGUPXSA-N -1 1 392.394 3.220 20 30 GGEDMM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000822801083 606299858 /nfs/dbraw/zinc/29/98/58/606299858.db2.gz DONQOGUQFWSQLB-XJKSGUPXSA-N -1 1 392.394 3.220 20 30 GGEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)S1 ZINC000822294396 606387385 /nfs/dbraw/zinc/38/73/85/606387385.db2.gz ZKHKMIFXSRMNHP-MDWZMJQESA-N -1 1 382.474 3.437 20 30 GGEDMM COc1cc(OC)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000821723947 606388529 /nfs/dbraw/zinc/38/85/29/606388529.db2.gz NJGWSAAOJTZOQO-HWKANZROSA-N -1 1 376.825 3.495 20 30 GGEDMM O=C1c2cc(Br)ccc2OC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823504656 606391612 /nfs/dbraw/zinc/39/16/12/606391612.db2.gz SMIIACVFRSDBMM-WDZFZDKYSA-N -1 1 375.207 3.307 20 30 GGEDMM N#Cc1ccccc1-c1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822837208 606649216 /nfs/dbraw/zinc/64/92/16/606649216.db2.gz JLGOSDAJPSZSFM-UHFFFAOYSA-N -1 1 382.383 3.157 20 30 GGEDMM N#Cc1ccccc1-c1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822837208 606649217 /nfs/dbraw/zinc/64/92/17/606649217.db2.gz JLGOSDAJPSZSFM-UHFFFAOYSA-N -1 1 382.383 3.157 20 30 GGEDMM Cc1cc(Br)ccc1CN=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000822161686 607036838 /nfs/dbraw/zinc/03/68/38/607036838.db2.gz SOVPDJCLWKBYBW-UHFFFAOYSA-N -1 1 390.245 3.495 20 30 GGEDMM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000819758715 607109666 /nfs/dbraw/zinc/10/96/66/607109666.db2.gz GAYDDGQTLVKIOE-UHFFFAOYSA-N -1 1 396.354 3.159 20 30 GGEDMM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000819758715 607109667 /nfs/dbraw/zinc/10/96/67/607109667.db2.gz GAYDDGQTLVKIOE-UHFFFAOYSA-N -1 1 396.354 3.159 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCOc3cc4c(cc32)CCC4)o1 ZINC000820198453 607171078 /nfs/dbraw/zinc/17/10/78/607171078.db2.gz WGRQJTRJYWMPST-UHFFFAOYSA-N -1 1 393.451 3.456 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Cl)cc2Br)o1 ZINC000822423876 607252128 /nfs/dbraw/zinc/25/21/28/607252128.db2.gz QATNTXZPGXTZCZ-UHFFFAOYSA-N -1 1 382.609 3.025 20 30 GGEDMM C=CCCC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823888851 608057362 /nfs/dbraw/zinc/05/73/62/608057362.db2.gz YSPGIGYOCUJXOE-UHFFFAOYSA-N -1 1 396.378 3.490 20 30 GGEDMM C=CCCC(=O)COC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000823888851 608057363 /nfs/dbraw/zinc/05/73/63/608057363.db2.gz YSPGIGYOCUJXOE-UHFFFAOYSA-N -1 1 396.378 3.490 20 30 GGEDMM O=C(C=Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400450 608092878 /nfs/dbraw/zinc/09/28/78/608092878.db2.gz ZHXQVTBTNAPCDE-HNQUOIGGSA-N -1 1 393.331 3.334 20 30 GGEDMM O=C(C=Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nn[n-]n2)s1 ZINC000826400450 608092879 /nfs/dbraw/zinc/09/28/79/608092879.db2.gz ZHXQVTBTNAPCDE-HNQUOIGGSA-N -1 1 393.331 3.334 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC(F)F ZINC000826190613 608093434 /nfs/dbraw/zinc/09/34/34/608093434.db2.gz HQANAZGENGASBK-DUXPYHPUSA-N -1 1 378.360 3.434 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC(F)F ZINC000826190613 608093435 /nfs/dbraw/zinc/09/34/35/608093435.db2.gz HQANAZGENGASBK-DUXPYHPUSA-N -1 1 378.360 3.434 20 30 GGEDMM COC[C@H](C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826147524 608146972 /nfs/dbraw/zinc/14/69/72/608146972.db2.gz ACLSTWPQDOWMKZ-ZDUSSCGKSA-N -1 1 399.794 3.008 20 30 GGEDMM CC(C)(C)c1cc(NC(=O)COc2cccc(C#N)c2)c(-c2nnn[n-]2)s1 ZINC000824130558 608349041 /nfs/dbraw/zinc/34/90/41/608349041.db2.gz MLXKOXWULOTHDI-UHFFFAOYSA-N -1 1 382.449 3.115 20 30 GGEDMM CC(C)(C)c1cc(NC(=O)COc2cccc(C#N)c2)c(-c2nn[n-]n2)s1 ZINC000824130558 608349043 /nfs/dbraw/zinc/34/90/43/608349043.db2.gz MLXKOXWULOTHDI-UHFFFAOYSA-N -1 1 382.449 3.115 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCC(C)(C)N(C)C(=O)OC(C)(C)C)o1 ZINC000824353036 608882030 /nfs/dbraw/zinc/88/20/30/608882030.db2.gz VFXWKVMDRYDMSO-UHFFFAOYSA-N -1 1 392.464 3.021 20 30 GGEDMM N#Cc1ccccc1Oc1ccccc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826387381 609352347 /nfs/dbraw/zinc/35/23/47/609352347.db2.gz SFCAOPRIWQPUPV-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM N#Cc1ccccc1Oc1ccccc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826387381 609352350 /nfs/dbraw/zinc/35/23/50/609352350.db2.gz SFCAOPRIWQPUPV-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C[C@@H](C)C#N)cc1 ZINC000053078070 1406282742 /nfs/dbraw/zinc/28/27/42/1406282742.db2.gz JHMAEXZRKVVQIE-ZDUSSCGKSA-N -1 1 389.452 3.167 20 30 GGEDMM C=CCc1ccc(OCC(=O)OCc2cc(=O)oc3cc([O-])ccc23)c(OC)c1 ZINC000005802535 1398480020 /nfs/dbraw/zinc/48/00/20/1398480020.db2.gz KUZCFYPQEBQGHD-UHFFFAOYSA-N -1 1 396.395 3.358 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000007051635 1398590255 /nfs/dbraw/zinc/59/02/55/1398590255.db2.gz MZENXGRADQHZQS-UHFFFAOYSA-N -1 1 393.472 3.344 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)c1 ZINC000055561045 1407002851 /nfs/dbraw/zinc/00/28/51/1407002851.db2.gz ZKHDGNKRKOOUHF-UHFFFAOYSA-N -1 1 387.486 3.321 20 30 GGEDMM C=C(Cl)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000014858038 1399123973 /nfs/dbraw/zinc/12/39/73/1399123973.db2.gz DDGZRMLSWQLDFW-UHFFFAOYSA-N -1 1 381.837 3.405 20 30 GGEDMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000055567546 1407005724 /nfs/dbraw/zinc/00/57/24/1407005724.db2.gz MKCWHDWCVHWRCN-UHFFFAOYSA-N -1 1 391.880 3.494 20 30 GGEDMM CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000055585437 1407012593 /nfs/dbraw/zinc/01/25/93/1407012593.db2.gz POIFTLOTPAJVNX-UHFFFAOYSA-N -1 1 391.880 3.080 20 30 GGEDMM C#CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000017797782 1399291066 /nfs/dbraw/zinc/29/10/66/1399291066.db2.gz SFSKLULRHDYHEK-UHFFFAOYSA-N -1 1 383.256 3.157 20 30 GGEDMM C=CCN(CC=C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022406323 1399461610 /nfs/dbraw/zinc/46/16/10/1399461610.db2.gz KERHCKWGLXRGAS-UHFFFAOYSA-N -1 1 388.464 3.370 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)c1 ZINC000055636876 1407034689 /nfs/dbraw/zinc/03/46/89/1407034689.db2.gz RFNKOAVUEACWJS-UHFFFAOYSA-N -1 1 388.489 3.438 20 30 GGEDMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)n1 ZINC000022931483 1399518373 /nfs/dbraw/zinc/51/83/73/1399518373.db2.gz AYPIZJSBPMUQHB-OAHLLOKOSA-N -1 1 384.505 3.458 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1[N+](=O)[O-] ZINC000055640115 1407036838 /nfs/dbraw/zinc/03/68/38/1407036838.db2.gz BIGBSNPGIQRWGK-UHFFFAOYSA-N -1 1 375.406 3.387 20 30 GGEDMM C[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000024163092 1399607134 /nfs/dbraw/zinc/60/71/34/1399607134.db2.gz GEAQTSOZCRNUSM-JTQLQIEISA-N -1 1 382.800 3.349 20 30 GGEDMM C=CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)c1 ZINC000055724996 1407068213 /nfs/dbraw/zinc/06/82/13/1407068213.db2.gz WJANSGQQCLYPQH-UHFFFAOYSA-N -1 1 378.450 3.174 20 30 GGEDMM C=CCN(CC=C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000028492190 1400170544 /nfs/dbraw/zinc/17/05/44/1400170544.db2.gz XADLEUPKMBDRHM-UHFFFAOYSA-N -1 1 386.473 3.310 20 30 GGEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc2C[C@H]1C ZINC000028680936 1400184350 /nfs/dbraw/zinc/18/43/50/1400184350.db2.gz HZUKLDHMGIUYLO-LLVKDONJSA-N -1 1 389.864 3.310 20 30 GGEDMM CCCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000056484367 1407345651 /nfs/dbraw/zinc/34/56/51/1407345651.db2.gz LGSXKMPVDHABEA-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM CCCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000056484289 1407345718 /nfs/dbraw/zinc/34/57/18/1407345718.db2.gz YMJAEXXYARCHQN-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM CCCN(CC#N)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000056484622 1407346616 /nfs/dbraw/zinc/34/66/16/1407346616.db2.gz SNFJBEPSYBAKGH-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C[C@H](C)C#N)cc2)c1C ZINC000045851061 1404223835 /nfs/dbraw/zinc/22/38/35/1404223835.db2.gz OALAAFQRZWDWCQ-CQSZACIVSA-N -1 1 385.489 3.336 20 30 GGEDMM C[C@H](C#N)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000045851107 1404224270 /nfs/dbraw/zinc/22/42/70/1404224270.db2.gz QLCWSYKNNJUJAE-CYBMUJFWSA-N -1 1 391.880 3.372 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C[C@H](C)C#N)c2)cc1F ZINC000045851301 1404224791 /nfs/dbraw/zinc/22/47/91/1404224791.db2.gz RSGMAFNQSKFNMP-CYBMUJFWSA-N -1 1 389.452 3.167 20 30 GGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C[C@@H](C)C#N)c2)c1 ZINC000045852120 1404224877 /nfs/dbraw/zinc/22/48/77/1404224877.db2.gz ZTNIFGGMBQGKBI-HNNXBMFYSA-N -1 1 385.489 3.336 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C[C@@H](C)C#N)c2)cc1F ZINC000045851299 1404224970 /nfs/dbraw/zinc/22/49/70/1404224970.db2.gz RSGMAFNQSKFNMP-ZDUSSCGKSA-N -1 1 389.452 3.167 20 30 GGEDMM N#C[C@@H](C(=O)Cc1ccccc1F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707109 1404559428 /nfs/dbraw/zinc/55/94/28/1404559428.db2.gz CNEUBHYXRARZKG-ZDUSSCGKSA-N -1 1 381.432 3.421 20 30 GGEDMM N#C[C@H](C(=O)Cc1ccccc1F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707107 1404559489 /nfs/dbraw/zinc/55/94/89/1404559489.db2.gz CNEUBHYXRARZKG-CYBMUJFWSA-N -1 1 381.432 3.421 20 30 GGEDMM Cc1ccc(OCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000046707260 1404559596 /nfs/dbraw/zinc/55/95/96/1404559596.db2.gz UFQYRSKIDGNQJU-HNNXBMFYSA-N -1 1 393.468 3.427 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000047533898 1404860080 /nfs/dbraw/zinc/86/00/80/1404860080.db2.gz XBHYOCRUEZEEMH-MRXNPFEDSA-N -1 1 385.489 3.418 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000047533897 1404860294 /nfs/dbraw/zinc/86/02/94/1404860294.db2.gz XBHYOCRUEZEEMH-INIZCTEOSA-N -1 1 385.489 3.418 20 30 GGEDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000825318536 1426176365 /nfs/dbraw/zinc/17/63/65/1426176365.db2.gz OVLCWODOMJFJCA-UHFFFAOYSA-N -1 1 380.839 3.444 20 30 GGEDMM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCCOc1ccc(C#N)cc1 ZINC000737026387 1426178443 /nfs/dbraw/zinc/17/84/43/1426178443.db2.gz RONSXAWNXSTSPM-UHFFFAOYSA-N -1 1 385.811 3.248 20 30 GGEDMM O=C([N-]S(=O)(=O)c1ccccc1Br)c1cccc2cn[nH]c21 ZINC000048610169 1405236914 /nfs/dbraw/zinc/23/69/14/1405236914.db2.gz IUHHIKSIAUFRHW-UHFFFAOYSA-N -1 1 380.223 3.019 20 30 GGEDMM N#CC(=C([O-])c1cccc(-n2cccc2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394580 1405376394 /nfs/dbraw/zinc/37/63/94/1405376394.db2.gz FYPPFIUOGHPXNV-GOSISDBHSA-N -1 1 395.426 3.478 20 30 GGEDMM CC(=NNc1cc(F)cc(F)c1)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000735451134 1426937525 /nfs/dbraw/zinc/93/75/25/1426937525.db2.gz PMGLDBNRZZEJND-UHFFFAOYSA-N -1 1 394.389 3.475 20 30 GGEDMM CC(C)(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000052023602 1405901808 /nfs/dbraw/zinc/90/18/08/1405901808.db2.gz KHQVCPZVEGPJKK-UHFFFAOYSA-N -1 1 392.502 3.072 20 30 GGEDMM CC(C)(C)S(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000052023603 1405902053 /nfs/dbraw/zinc/90/20/53/1405902053.db2.gz JWANDODDHHMGBG-UHFFFAOYSA-N -1 1 392.502 3.072 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824207187 1428225846 /nfs/dbraw/zinc/22/58/46/1428225846.db2.gz RIRGXSDQVBEHAI-SFHVURJKSA-N -1 1 395.394 3.024 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC000057122909 1407526402 /nfs/dbraw/zinc/52/64/02/1407526402.db2.gz GLQRBMKJEXOXOR-UHFFFAOYSA-N -1 1 383.473 3.422 20 30 GGEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000057123578 1407526948 /nfs/dbraw/zinc/52/69/48/1407526948.db2.gz ZGBXDOHUFXXVIH-UHFFFAOYSA-N -1 1 398.484 3.237 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccncc3)c2)cc1 ZINC000060341768 1407956342 /nfs/dbraw/zinc/95/63/42/1407956342.db2.gz VLZKJPFPSDWKDB-UHFFFAOYSA-N -1 1 378.413 3.006 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000823909517 1428284705 /nfs/dbraw/zinc/28/47/05/1428284705.db2.gz HHBKCLMGCRQYAT-UHFFFAOYSA-N -1 1 389.463 3.079 20 30 GGEDMM C#CCOc1cccc([C@@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735380543 1428290363 /nfs/dbraw/zinc/29/03/63/1428290363.db2.gz IZUZTZLJCOCUFV-OAHLLOKOSA-N -1 1 376.416 3.116 20 30 GGEDMM N#CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000061585770 1408151790 /nfs/dbraw/zinc/15/17/90/1408151790.db2.gz VEMOOOLDXHHLDW-UHFFFAOYSA-N -1 1 387.436 3.002 20 30 GGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C#N)CC3)cc2)c1 ZINC000061585949 1408151888 /nfs/dbraw/zinc/15/18/88/1408151888.db2.gz OOXJCFIHNZIUJX-UHFFFAOYSA-N -1 1 397.500 3.480 20 30 GGEDMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000065873013 1408746013 /nfs/dbraw/zinc/74/60/13/1408746013.db2.gz VSVPESLJPPSZAT-UHFFFAOYSA-N -1 1 387.461 3.383 20 30 GGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000066587680 1408861718 /nfs/dbraw/zinc/86/17/18/1408861718.db2.gz CJFUUCPAETYEDK-UHFFFAOYSA-N -1 1 390.461 3.409 20 30 GGEDMM C=C(C)COc1cccc(NC(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000066727129 1408895193 /nfs/dbraw/zinc/89/51/93/1408895193.db2.gz KFGSRCWXQGYKEN-UHFFFAOYSA-N -1 1 390.443 3.276 20 30 GGEDMM C=C(C)COc1cccc(NC(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)c1 ZINC000066727121 1408895415 /nfs/dbraw/zinc/89/54/15/1408895415.db2.gz XIFLHQRYJBJYNH-UHFFFAOYSA-N -1 1 390.443 3.276 20 30 GGEDMM CCn1c(CCNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n[n-]c1=S ZINC000067077760 1409003440 /nfs/dbraw/zinc/00/34/40/1409003440.db2.gz IZJWJBMCAXKXPC-UHFFFAOYSA-N -1 1 394.504 3.212 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CCC#N)c2)c1 ZINC000067509324 1409141344 /nfs/dbraw/zinc/14/13/44/1409141344.db2.gz XAHPOGBHFROZSB-UHFFFAOYSA-N -1 1 391.880 3.435 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000067897487 1409251645 /nfs/dbraw/zinc/25/16/45/1409251645.db2.gz MDRMJILEDVEKLR-SNVBAGLBSA-N -1 1 384.373 3.199 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CCSC)cc2)c1 ZINC000067899534 1409252323 /nfs/dbraw/zinc/25/23/23/1409252323.db2.gz BMMPICOOGJVMOR-UHFFFAOYSA-N -1 1 390.530 3.309 20 30 GGEDMM O=C(COc1ccccc1OCC(F)(F)F)Nc1n[n-]c(C(F)(F)F)n1 ZINC000067910081 1409253623 /nfs/dbraw/zinc/25/36/23/1409253623.db2.gz BSYFBJNKBOJLBC-UHFFFAOYSA-N -1 1 384.236 3.432 20 30 GGEDMM CCn1c(C2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000068453570 1409407351 /nfs/dbraw/zinc/40/73/51/1409407351.db2.gz NDMHQUZANIEQEL-CYBMUJFWSA-N -1 1 385.493 3.006 20 30 GGEDMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)o1 ZINC000068917217 1409524352 /nfs/dbraw/zinc/52/43/52/1409524352.db2.gz YASHFLXWLNUTIO-UHFFFAOYSA-N -1 1 397.412 3.104 20 30 GGEDMM C=CCN(CC1CCCCC1)C(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000069788431 1409700140 /nfs/dbraw/zinc/70/01/40/1409700140.db2.gz FFZQEASUDVEHON-UHFFFAOYSA-N -1 1 380.492 3.278 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000072011122 1409837078 /nfs/dbraw/zinc/83/70/78/1409837078.db2.gz ZITPCIOVFHPRAH-MRXNPFEDSA-N -1 1 385.489 3.418 20 30 GGEDMM CCCCCCCCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825272158 1428447756 /nfs/dbraw/zinc/44/77/56/1428447756.db2.gz XJXPDDPMACVHDL-SFHVURJKSA-N -1 1 386.500 3.310 20 30 GGEDMM N#CCCN(CCC#N)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000094037390 1410296522 /nfs/dbraw/zinc/29/65/22/1410296522.db2.gz SIVZQHVMJMDJNB-UHFFFAOYSA-N -1 1 398.369 3.192 20 30 GGEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000103442635 1410856957 /nfs/dbraw/zinc/85/69/57/1410856957.db2.gz XHSRVFODHBVDAX-CYBMUJFWSA-N -1 1 375.425 3.001 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)CC#N)cc2)c1C ZINC000103443213 1410857084 /nfs/dbraw/zinc/85/70/84/1410857084.db2.gz FCTANHCURIPEFG-OAHLLOKOSA-N -1 1 385.489 3.478 20 30 GGEDMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000105640350 1411094295 /nfs/dbraw/zinc/09/42/95/1411094295.db2.gz ZOHDDIWRQCZMEO-OLHLWXQYSA-N -1 1 398.846 3.430 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)c3ccc(C#N)cn3)nc2C)n[n-]c1=S ZINC000107761454 1411407470 /nfs/dbraw/zinc/40/74/70/1411407470.db2.gz MWUSYENQXHPQPI-UHFFFAOYSA-N -1 1 383.462 3.078 20 30 GGEDMM N#Cc1cc(NC(=O)c2cnc(-c3ccccc3F)s2)ccc1-c1nn[n-]n1 ZINC000737709598 1428607577 /nfs/dbraw/zinc/60/75/77/1428607577.db2.gz PJPMBJFYANXJAO-UHFFFAOYSA-N -1 1 391.391 3.253 20 30 GGEDMM N#C[C@H](C(=O)CC[C@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000111943468 1412060748 /nfs/dbraw/zinc/06/07/48/1412060748.db2.gz JNFAPURMXLHOQP-TZMCWYRMSA-N -1 1 385.489 3.389 20 30 GGEDMM CC(C)(C)S(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000112266815 1412110729 /nfs/dbraw/zinc/11/07/29/1412110729.db2.gz DNRQJRLHDVRXMO-UHFFFAOYSA-N -1 1 392.502 3.072 20 30 GGEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C[C@H](C#N)CCC#N ZINC000112560343 1412168292 /nfs/dbraw/zinc/16/82/92/1412168292.db2.gz GAFWKPYBSVZGMB-SFHVURJKSA-N -1 1 382.489 3.363 20 30 GGEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)o1 ZINC000113175754 1412270865 /nfs/dbraw/zinc/27/08/65/1412270865.db2.gz HKIAWXCWWUYABK-CYBMUJFWSA-N -1 1 395.868 3.004 20 30 GGEDMM CC[C@H](C#N)Oc1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)ccc1OC ZINC000113304049 1412290273 /nfs/dbraw/zinc/29/02/73/1412290273.db2.gz QPCNAOGPAQCIEW-CYBMUJFWSA-N -1 1 396.415 3.133 20 30 GGEDMM N#C[C@@H](C(=O)[C@@H]1COc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000113651214 1412330977 /nfs/dbraw/zinc/33/09/77/1412330977.db2.gz SJEBLUQLCFWORL-UONOGXRCSA-N -1 1 391.452 3.216 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H](C)CC#N)cc2)ccc1F ZINC000113692637 1412334006 /nfs/dbraw/zinc/33/40/06/1412334006.db2.gz NGPWLDXYXIXQRY-CYBMUJFWSA-N -1 1 376.409 3.394 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)O[C@H](C)CC#N ZINC000113691416 1412334092 /nfs/dbraw/zinc/33/40/92/1412334092.db2.gz ORANYYNMKJNLLT-CYBMUJFWSA-N -1 1 376.409 3.394 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccn2)c1 ZINC000114673927 1412493159 /nfs/dbraw/zinc/49/31/59/1412493159.db2.gz HBNGNJYQZNRWFJ-UHFFFAOYSA-N -1 1 392.440 3.315 20 30 GGEDMM CCOC(=O)Nc1ccc(N=Cc2cc(OCC)ccc2O)cc1-c1nnn[n-]1 ZINC000825523966 1428676743 /nfs/dbraw/zinc/67/67/43/1428676743.db2.gz XNGHPPPSYJZRHL-UHFFFAOYSA-N -1 1 396.407 3.290 20 30 GGEDMM C=CC[C@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000116852965 1412942390 /nfs/dbraw/zinc/94/23/90/1412942390.db2.gz ZQJSRAFSUWQAPY-LBPRGKRZSA-N -1 1 380.416 3.460 20 30 GGEDMM CC(C)[C@@H](C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000119129239 1413348311 /nfs/dbraw/zinc/34/83/11/1413348311.db2.gz OIHAQLIEYDRAIP-QGZVFWFLSA-N -1 1 376.409 3.331 20 30 GGEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc21 ZINC000119517896 1413473756 /nfs/dbraw/zinc/47/37/56/1413473756.db2.gz WANHNPSNVYHWKT-OAHLLOKOSA-N -1 1 386.371 3.157 20 30 GGEDMM C=C(C)COCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000119646956 1413514757 /nfs/dbraw/zinc/51/47/57/1413514757.db2.gz NBEJFTIQIFWZMB-UHFFFAOYSA-N -1 1 390.386 3.245 20 30 GGEDMM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000119826860 1413583878 /nfs/dbraw/zinc/58/38/78/1413583878.db2.gz WLZKGMUMZXAZLC-UHFFFAOYSA-N -1 1 383.473 3.231 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(=O)o1 ZINC000119859622 1413596389 /nfs/dbraw/zinc/59/63/89/1413596389.db2.gz QCFYZEWRRJRIAN-LCCNJJIFSA-N -1 1 399.406 3.163 20 30 GGEDMM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1nc2cc(Cl)ccc2s1 ZINC000119983318 1413641451 /nfs/dbraw/zinc/64/14/51/1413641451.db2.gz YBIMOGGOTXEZHO-ZDUSSCGKSA-N -1 1 380.820 3.415 20 30 GGEDMM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826221862 1428754317 /nfs/dbraw/zinc/75/43/17/1428754317.db2.gz YTTOPSFUSZUVEN-CLFYSBASSA-N -1 1 375.363 3.459 20 30 GGEDMM COc1cccc(CC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)C2CC2)c1 ZINC000826215560 1428758368 /nfs/dbraw/zinc/75/83/68/1428758368.db2.gz SGSNQXRDGAJKFU-UHFFFAOYSA-N -1 1 381.440 3.407 20 30 GGEDMM N#Cc1nc(N)n(Cc2cccc(Oc3ccc(Cl)cc3)c2)c1-c1nnn[n-]1 ZINC000822845783 1428761978 /nfs/dbraw/zinc/76/19/78/1428761978.db2.gz HLMGFRGOFIVFMG-UHFFFAOYSA-N -1 1 392.810 3.011 20 30 GGEDMM CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1 ZINC000120785413 1413902399 /nfs/dbraw/zinc/90/23/99/1413902399.db2.gz YVDXHHVAXWDOEK-VZUCSPMQSA-N -1 1 377.437 3.458 20 30 GGEDMM C=C[C@H](CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccccc1 ZINC000120840911 1413922587 /nfs/dbraw/zinc/92/25/87/1413922587.db2.gz PJMKGFAMLRDVQC-CQSZACIVSA-N -1 1 386.473 3.131 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000120923312 1413949590 /nfs/dbraw/zinc/94/95/90/1413949590.db2.gz COTXOEUZZXDPEO-UHFFFAOYSA-N -1 1 382.388 3.005 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2)cc1Cl ZINC000121192280 1414039470 /nfs/dbraw/zinc/03/94/70/1414039470.db2.gz MBLAPUQAPXMLNB-UHFFFAOYSA-N -1 1 389.864 3.248 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCC4)cc2)cc1Cl ZINC000121204308 1414043275 /nfs/dbraw/zinc/04/32/75/1414043275.db2.gz BOYOXAUGDPTMKH-UHFFFAOYSA-N -1 1 399.863 3.217 20 30 GGEDMM CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000121260548 1414063141 /nfs/dbraw/zinc/06/31/41/1414063141.db2.gz HJVIOHGGYRCSKK-UHFFFAOYSA-N -1 1 391.880 3.080 20 30 GGEDMM Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000177533431 1428784159 /nfs/dbraw/zinc/78/41/59/1428784159.db2.gz PUNPEGPQUWNZKU-UHFFFAOYSA-N -1 1 380.429 3.248 20 30 GGEDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)cc2[nH]1 ZINC000121898739 1414298400 /nfs/dbraw/zinc/29/84/00/1414298400.db2.gz YTFKXDKVJZERDF-UHFFFAOYSA-N -1 1 399.432 3.486 20 30 GGEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc(F)c1F ZINC000122007171 1414338566 /nfs/dbraw/zinc/33/85/66/1414338566.db2.gz KDZMBAARSVAXDF-UHFFFAOYSA-N -1 1 386.763 3.077 20 30 GGEDMM CC[C@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000122180466 1414380994 /nfs/dbraw/zinc/38/09/94/1414380994.db2.gz UUQJTWQYEHWRDG-CYBMUJFWSA-N -1 1 380.372 3.225 20 30 GGEDMM CC[C@@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000122180219 1414381161 /nfs/dbraw/zinc/38/11/61/1414381161.db2.gz UUQJTWQYEHWRDG-ZDUSSCGKSA-N -1 1 380.372 3.225 20 30 GGEDMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177620138 1428813082 /nfs/dbraw/zinc/81/30/82/1428813082.db2.gz VCPFUIGFOXQYKX-UHFFFAOYSA-N -1 1 398.362 3.473 20 30 GGEDMM CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C#N)c(F)c1 ZINC000122545658 1414496904 /nfs/dbraw/zinc/49/69/04/1414496904.db2.gz NMBJTFCYLLXQDY-UHFFFAOYSA-N -1 1 376.409 3.453 20 30 GGEDMM CNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177620503 1428813290 /nfs/dbraw/zinc/81/32/90/1428813290.db2.gz FMBWQMOJBLXDPU-UHFFFAOYSA-N -1 1 398.366 3.129 20 30 GGEDMM N#C[C@@H](C(=O)[C@@H]1CC1(Cl)Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123453454 1414737003 /nfs/dbraw/zinc/73/70/03/1414737003.db2.gz ZZFIQUDIMSIFIZ-IUCAKERBSA-N -1 1 382.272 3.233 20 30 GGEDMM CC(C)(C)c1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n[nH]1 ZINC000123478460 1414745612 /nfs/dbraw/zinc/74/56/12/1414745612.db2.gz MMMBBJPTELHPIC-LLVKDONJSA-N -1 1 395.488 3.374 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(OC(F)F)c1 ZINC000124256379 1414922181 /nfs/dbraw/zinc/92/21/81/1414922181.db2.gz BAQQNZGLFWRFDU-SECBINFHSA-N -1 1 388.342 3.477 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(OC(F)F)c1 ZINC000124256196 1414922256 /nfs/dbraw/zinc/92/22/56/1414922256.db2.gz BAQQNZGLFWRFDU-VIFPVBQESA-N -1 1 388.342 3.477 20 30 GGEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(C)o1 ZINC000124350169 1414946546 /nfs/dbraw/zinc/94/65/46/1414946546.db2.gz PPYYWZRTEOBMGX-CYBMUJFWSA-N -1 1 388.367 3.145 20 30 GGEDMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)c1F ZINC000124416105 1414962975 /nfs/dbraw/zinc/96/29/75/1414962975.db2.gz ZPSOOXVHQZOUCB-CQSZACIVSA-N -1 1 394.399 3.075 20 30 GGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000125283219 1415152149 /nfs/dbraw/zinc/15/21/49/1415152149.db2.gz KLPNXQRJYVYIHG-UHFFFAOYSA-N -1 1 392.868 3.403 20 30 GGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000125326286 1415165653 /nfs/dbraw/zinc/16/56/53/1415165653.db2.gz WNGDGDBEMHKGOT-UHFFFAOYSA-N -1 1 384.461 3.021 20 30 GGEDMM CC[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(=O)c1ccc(Cl)cc1 ZINC000820938293 1428874948 /nfs/dbraw/zinc/87/49/48/1428874948.db2.gz IAYQDSIFTPJBRK-ZDUSSCGKSA-N -1 1 399.867 3.123 20 30 GGEDMM Cc1sc(NC(=O)c2cc3ccccc3n2CC#N)c(-c2nn[n-]n2)c1C ZINC000737566343 1428886887 /nfs/dbraw/zinc/88/68/87/1428886887.db2.gz ZUPWNUZQJKXPTH-UHFFFAOYSA-N -1 1 377.433 3.276 20 30 GGEDMM C(=NO[C@H]1CCCCO1)c1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823867996 1428888932 /nfs/dbraw/zinc/88/89/32/1428888932.db2.gz MGEQYYXQUUPNDM-IBGZPJMESA-N -1 1 379.420 3.323 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000125833586 1415293177 /nfs/dbraw/zinc/29/31/77/1415293177.db2.gz BSHSGAOLLQXQMK-LLVKDONJSA-N -1 1 388.836 3.301 20 30 GGEDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000126003516 1415334271 /nfs/dbraw/zinc/33/42/71/1415334271.db2.gz YGUPAKXPSCWFNO-SNVBAGLBSA-N -1 1 381.360 3.093 20 30 GGEDMM COc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cs1 ZINC000126302358 1415411922 /nfs/dbraw/zinc/41/19/22/1415411922.db2.gz CRPBAFYQXQNIQQ-ZDUSSCGKSA-N -1 1 378.413 3.175 20 30 GGEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000735874869 1428931800 /nfs/dbraw/zinc/93/18/00/1428931800.db2.gz NJZXPDWGYLBCBR-UHFFFAOYSA-N -1 1 392.488 3.268 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3ccc(Cl)cn3)n2)n[n-]c1=S ZINC000126436856 1415453026 /nfs/dbraw/zinc/45/30/26/1415453026.db2.gz YJPBYFMGWHHSSX-UHFFFAOYSA-N -1 1 392.897 3.475 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1noc(-c2ccccc2)n1 ZINC000126587752 1415500139 /nfs/dbraw/zinc/50/01/39/1415500139.db2.gz BDISDFAEFFSKAS-NSHDSACASA-N -1 1 388.836 3.301 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1noc(-c2ccccc2)n1 ZINC000126587483 1415500182 /nfs/dbraw/zinc/50/01/82/1415500182.db2.gz POWWAHKYSMRFMN-LLVKDONJSA-N -1 1 388.836 3.301 20 30 GGEDMM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000126592772 1415502001 /nfs/dbraw/zinc/50/20/01/1415502001.db2.gz YRGAWOCIKIGEMJ-UHFFFAOYSA-N -1 1 376.865 3.202 20 30 GGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Br)s2)c1 ZINC000127118462 1415664587 /nfs/dbraw/zinc/66/45/87/1415664587.db2.gz BCYLTDVZFXBCSX-NSHDSACASA-N -1 1 379.235 3.480 20 30 GGEDMM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737548210 1428975755 /nfs/dbraw/zinc/97/57/55/1428975755.db2.gz ONBFMIZVRIMBNY-UHFFFAOYSA-N -1 1 377.389 3.016 20 30 GGEDMM Cc1ccc(OC(F)F)c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826292066 1428977461 /nfs/dbraw/zinc/97/74/61/1428977461.db2.gz GRGFBJQCDBOAND-UHFFFAOYSA-N -1 1 379.758 3.271 20 30 GGEDMM CC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000127353157 1415749576 /nfs/dbraw/zinc/74/95/76/1415749576.db2.gz XVRGDLJPYUNEFY-GOSISDBHSA-N -1 1 375.425 3.049 20 30 GGEDMM CC[C@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000127531331 1415805586 /nfs/dbraw/zinc/80/55/86/1415805586.db2.gz WYLMQGQBYZHYSK-GOSISDBHSA-N -1 1 393.415 3.188 20 30 GGEDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccco1 ZINC000127574279 1415812764 /nfs/dbraw/zinc/81/27/64/1415812764.db2.gz QEKOYNWRHUIFOU-LJQANCHMSA-N -1 1 386.404 3.367 20 30 GGEDMM C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127755176 1415844542 /nfs/dbraw/zinc/84/45/42/1415844542.db2.gz QVRAYDZFEGMJDX-INIZCTEOSA-N -1 1 383.492 3.018 20 30 GGEDMM N#Cc1cccc(OCCCCC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737731024 1429030193 /nfs/dbraw/zinc/03/01/93/1429030193.db2.gz VVPMZVOZKLRPFO-UHFFFAOYSA-N -1 1 395.394 3.170 20 30 GGEDMM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128232130 1415944934 /nfs/dbraw/zinc/94/49/34/1415944934.db2.gz AMONFTSANQSEMS-OAHLLOKOSA-N -1 1 380.429 3.267 20 30 GGEDMM C[C@H](Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)c1ccc(C#N)cc1 ZINC000736139986 1429046598 /nfs/dbraw/zinc/04/65/98/1429046598.db2.gz SJLYGLAOCOHGQC-JTQLQIEISA-N -1 1 377.358 3.160 20 30 GGEDMM CC(C[C@H](C)NC(=O)OC(C)(C)C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000824390766 1429063525 /nfs/dbraw/zinc/06/35/25/1429063525.db2.gz DESKWQNOGMFSKK-JTQLQIEISA-N -1 1 392.464 3.069 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000819744124 1429073755 /nfs/dbraw/zinc/07/37/55/1429073755.db2.gz XISGNSTZEZDJHY-DENIHFKCSA-N -1 1 388.475 3.295 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)CCn3cc(C)cn3)nc2C)n[n-]c1=S ZINC000129244818 1416178585 /nfs/dbraw/zinc/17/85/85/1416178585.db2.gz UMFXIKMLJMVCEX-UHFFFAOYSA-N -1 1 389.510 3.092 20 30 GGEDMM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccccc1F ZINC000130849403 1416466967 /nfs/dbraw/zinc/46/69/67/1416466967.db2.gz QGJRJFPCANMXRX-UHFFFAOYSA-N -1 1 388.390 3.431 20 30 GGEDMM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401469 1429117087 /nfs/dbraw/zinc/11/70/87/1429117087.db2.gz ZTRXOUUTAXGEOV-FPYGCLRLSA-N -1 1 388.362 3.484 20 30 GGEDMM C=CCCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1-c1nnn[n-]1 ZINC000735413245 1429119241 /nfs/dbraw/zinc/11/92/41/1429119241.db2.gz QWDJMBFUUYQIPY-UHFFFAOYSA-N -1 1 381.465 3.155 20 30 GGEDMM Cc1ccc(C(=O)NC2(C#N)CCC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000133562317 1416905228 /nfs/dbraw/zinc/90/52/28/1416905228.db2.gz AUPZMFORYGFACK-UHFFFAOYSA-N -1 1 387.436 3.111 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000134085607 1417020083 /nfs/dbraw/zinc/02/00/83/1417020083.db2.gz WDJIRSRROZORDX-RBUKOAKNSA-N -1 1 386.473 3.350 20 30 GGEDMM N#Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc4ccccc4o3)C2)c(F)c1 ZINC000134174518 1417033536 /nfs/dbraw/zinc/03/35/36/1417033536.db2.gz VQLKQJYMSNQPSB-MRXNPFEDSA-N -1 1 399.447 3.391 20 30 GGEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)C1(C#N)CCC1 ZINC000134789036 1417126070 /nfs/dbraw/zinc/12/60/70/1417126070.db2.gz DJQWOIBWCCOFJZ-UHFFFAOYSA-N -1 1 383.473 3.140 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1C(F)(F)F ZINC000135945454 1417280268 /nfs/dbraw/zinc/28/02/68/1417280268.db2.gz TZLSIFUJTDWYCC-UHFFFAOYSA-N -1 1 394.334 3.428 20 30 GGEDMM C=C(C)COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000136188217 1417299698 /nfs/dbraw/zinc/29/96/98/1417299698.db2.gz WVLZCIQRQJBBDO-UHFFFAOYSA-N -1 1 388.489 3.118 20 30 GGEDMM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)sc1Br ZINC000136595183 1417330466 /nfs/dbraw/zinc/33/04/66/1417330466.db2.gz KZELZDZIKXJTSL-JTQLQIEISA-N -1 1 379.235 3.480 20 30 GGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)cc1 ZINC000136681165 1417337537 /nfs/dbraw/zinc/33/75/37/1417337537.db2.gz MVUSDUBVEVYSLR-CQSZACIVSA-N -1 1 378.413 3.175 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(Br)cc1C#N ZINC000826173102 1429185613 /nfs/dbraw/zinc/18/56/13/1429185613.db2.gz NHNDDDPQOMGTSI-UHFFFAOYSA-N -1 1 386.209 3.088 20 30 GGEDMM N#CC1(c2ccc(C(=O)OCc3cn4ccccc4c3-c3nnn[n-]3)cc2)CC1 ZINC000826380765 1429185004 /nfs/dbraw/zinc/18/50/04/1429185004.db2.gz MGMDHHROCLOXSA-UHFFFAOYSA-N -1 1 384.399 3.032 20 30 GGEDMM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(C#N)cc1 ZINC000736118658 1429196123 /nfs/dbraw/zinc/19/61/23/1429196123.db2.gz VDYJLRTURZXIRD-GFCCVEGCSA-N -1 1 378.440 3.178 20 30 GGEDMM C=CCCOCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000144128532 1417657321 /nfs/dbraw/zinc/65/73/21/1417657321.db2.gz HSARHRCQOMHOSG-UHFFFAOYSA-N -1 1 396.415 3.297 20 30 GGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C#N)CC2)cc1 ZINC000147232081 1417742344 /nfs/dbraw/zinc/74/23/44/1417742344.db2.gz ATVAFQWQEHDTRK-UHFFFAOYSA-N -1 1 383.473 3.172 20 30 GGEDMM N#CC1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1 ZINC000147238045 1417742431 /nfs/dbraw/zinc/74/24/31/1417742431.db2.gz LOCINJYFWXOMMK-UHFFFAOYSA-N -1 1 387.436 3.002 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)cc1 ZINC000150972396 1417846258 /nfs/dbraw/zinc/84/62/58/1417846258.db2.gz KXKKZAHWIILZKK-UHFFFAOYSA-N -1 1 375.413 3.297 20 30 GGEDMM C=CCN(C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000823903846 1429220914 /nfs/dbraw/zinc/22/09/14/1429220914.db2.gz MBOLWYVIIPGPSD-UHFFFAOYSA-N -1 1 375.432 3.236 20 30 GGEDMM C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824513546 1429216758 /nfs/dbraw/zinc/21/67/58/1429216758.db2.gz CDFUESLIRSWZFP-ZDUSSCGKSA-N -1 1 383.415 3.224 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(F)c1 ZINC000179012585 1429242830 /nfs/dbraw/zinc/24/28/30/1429242830.db2.gz FJUQVXRXFXNVHP-UHFFFAOYSA-N -1 1 389.286 3.425 20 30 GGEDMM C#CCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000819697946 1429245631 /nfs/dbraw/zinc/24/56/31/1429245631.db2.gz OZKOPJZWLZOWPO-UHFFFAOYSA-N -1 1 392.419 3.155 20 30 GGEDMM Cc1c(C#N)cccc1NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000822014865 1429273477 /nfs/dbraw/zinc/27/34/77/1429273477.db2.gz AKLWDCWZEBSFRU-GOSISDBHSA-N -1 1 376.420 3.089 20 30 GGEDMM C=CCOc1cccnc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823932318 1429304952 /nfs/dbraw/zinc/30/49/52/1429304952.db2.gz UPFMRYGXHDFRCH-UHFFFAOYSA-N -1 1 392.463 3.125 20 30 GGEDMM COc1cc(OC)c(OC)cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821724057 1429323398 /nfs/dbraw/zinc/32/33/98/1429323398.db2.gz OTHHXIBPRRYQIN-LCYFTJDESA-N -1 1 392.415 3.105 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000823963111 1429324943 /nfs/dbraw/zinc/32/49/43/1429324943.db2.gz VOMROZXNKRNZRE-UHFFFAOYSA-N -1 1 390.791 3.376 20 30 GGEDMM C[C@@H](C#N)CN(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819844945 1429340689 /nfs/dbraw/zinc/34/06/89/1429340689.db2.gz PHWYQURGQRUUPU-ZDUSSCGKSA-N -1 1 378.461 3.250 20 30 GGEDMM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400024 1429343076 /nfs/dbraw/zinc/34/30/76/1429343076.db2.gz NDWQOSWFFBNRKR-PLNGDYQASA-N -1 1 384.371 3.493 20 30 GGEDMM CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736743030 1429349364 /nfs/dbraw/zinc/34/93/64/1429349364.db2.gz XCWPBFUGIHMOHE-UHFFFAOYSA-N -1 1 397.398 3.202 20 30 GGEDMM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)ccc1OC(F)F ZINC000821703177 1429353125 /nfs/dbraw/zinc/35/31/25/1429353125.db2.gz SGAPMUWTKJFGNV-ARJAWSKDSA-N -1 1 378.360 3.434 20 30 GGEDMM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826210861 1429359304 /nfs/dbraw/zinc/35/93/04/1429359304.db2.gz HRBXTNBKBLYNIQ-RQOWECAXSA-N -1 1 378.360 3.434 20 30 GGEDMM N#C[C@@H](C(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2n1C(F)F ZINC000822802394 1429368228 /nfs/dbraw/zinc/36/82/28/1429368228.db2.gz ZYDPYTVALJPEEB-VIFPVBQESA-N -1 1 385.359 3.163 20 30 GGEDMM N#Cc1ccc(Oc2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cn2)cc1 ZINC000822833724 1429389334 /nfs/dbraw/zinc/38/93/34/1429389334.db2.gz VIOMDGSSNACREH-UHFFFAOYSA-N -1 1 397.398 3.107 20 30 GGEDMM C=CCOc1ccccc1CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735436129 1429406818 /nfs/dbraw/zinc/40/68/18/1429406818.db2.gz GHAJWDDNOGCNBY-UHFFFAOYSA-N -1 1 384.827 3.407 20 30 GGEDMM CCN(C(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(C#N)c(Cl)c1 ZINC000179520947 1429407876 /nfs/dbraw/zinc/40/78/76/1429407876.db2.gz BSIWVICZVYWXEN-UHFFFAOYSA-N -1 1 390.896 3.311 20 30 GGEDMM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821395307 1429416233 /nfs/dbraw/zinc/41/62/33/1429416233.db2.gz VTAMGFLATDDPOM-UHFFFAOYSA-N -1 1 375.797 3.071 20 30 GGEDMM C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112067 1429426269 /nfs/dbraw/zinc/42/62/69/1429426269.db2.gz PEEAUEGQWDDZSA-AWEZNQCLSA-N -1 1 387.447 3.174 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1Br ZINC000826260385 1429433490 /nfs/dbraw/zinc/43/34/90/1429433490.db2.gz LMXDKSMUJGDXTM-UHFFFAOYSA-N -1 1 383.209 3.062 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)NCCc1cccs1 ZINC000735420736 1429451646 /nfs/dbraw/zinc/45/16/46/1429451646.db2.gz RLYSPZINPOCVOX-UHFFFAOYSA-N -1 1 384.534 3.033 20 30 GGEDMM C=CCCOCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000823898793 1429526879 /nfs/dbraw/zinc/52/68/79/1429526879.db2.gz BOJFTHWTENFXBW-UHFFFAOYSA-N -1 1 397.410 3.121 20 30 GGEDMM CCCN1c2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc2CCC1=O ZINC000179768939 1429551235 /nfs/dbraw/zinc/55/12/35/1429551235.db2.gz CZICNUAVFSBLRK-UHFFFAOYSA-N -1 1 383.473 3.357 20 30 GGEDMM N#CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000153474840 1422557808 /nfs/dbraw/zinc/55/78/08/1422557808.db2.gz HSDBRWJVJURCQE-UHFFFAOYSA-N -1 1 383.351 3.358 20 30 GGEDMM COc1ccc(CNc2ccc(C#N)cc2Br)cc1-c1nnn[n-]1 ZINC000826203939 1429571613 /nfs/dbraw/zinc/57/16/13/1429571613.db2.gz NICBVACHJVBMTQ-UHFFFAOYSA-N -1 1 385.225 3.122 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000735418607 1429579205 /nfs/dbraw/zinc/57/92/05/1429579205.db2.gz HPJNKVZMZHJCQM-FOIQADDNSA-N -1 1 388.475 3.498 20 30 GGEDMM CCOC(=O)CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821330383 1429612124 /nfs/dbraw/zinc/61/21/24/1429612124.db2.gz JZBDRTOTXSAMEN-CLFYSBASSA-N -1 1 398.444 3.156 20 30 GGEDMM C=CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)CC1CCCCC1 ZINC000819745553 1429616889 /nfs/dbraw/zinc/61/68/89/1429616889.db2.gz JDHJYWBJIPLHNT-UHFFFAOYSA-N -1 1 379.468 3.485 20 30 GGEDMM CC(=O)c1cccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000155446451 1423367100 /nfs/dbraw/zinc/36/71/00/1423367100.db2.gz UAKARESIYLPTTA-AWEZNQCLSA-N -1 1 380.429 3.050 20 30 GGEDMM N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875798 1423398532 /nfs/dbraw/zinc/39/85/32/1423398532.db2.gz VSOWYAWQWUJMQC-UHFFFAOYSA-N -1 1 380.411 3.335 20 30 GGEDMM COc1ccc(NC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000155663500 1423474920 /nfs/dbraw/zinc/47/49/20/1423474920.db2.gz KRTUAMQFKBKUMY-CQSZACIVSA-N -1 1 394.456 3.118 20 30 GGEDMM Cc1ccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000155668221 1423477441 /nfs/dbraw/zinc/47/74/41/1423477441.db2.gz YCXABKGAICNMAR-AWEZNQCLSA-N -1 1 378.457 3.418 20 30 GGEDMM C[C@H](CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nnn[n-]1 ZINC000124444687 1423481891 /nfs/dbraw/zinc/48/18/91/1423481891.db2.gz LLSFDWHGCVAGGP-CQSZACIVSA-N -1 1 392.488 3.239 20 30 GGEDMM Cn1cc(C#N)cc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000822669512 1423490939 /nfs/dbraw/zinc/49/09/39/1423490939.db2.gz KUKLUQNBJUFOFE-UHFFFAOYSA-N -1 1 381.465 3.050 20 30 GGEDMM N#C[C@@H]1CC[C@H](OC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000179932556 1429648837 /nfs/dbraw/zinc/64/88/37/1429648837.db2.gz NSYMBOOVVLCMRW-DYVFJYSZSA-N -1 1 388.420 3.476 20 30 GGEDMM C=CCn1c(=O)c2ccccc2nc1SCc1cccc(-c2nn[n-]n2)c1F ZINC000823937333 1423524197 /nfs/dbraw/zinc/52/41/97/1423524197.db2.gz SISGKXCOGVBQRB-UHFFFAOYSA-N -1 1 394.435 3.194 20 30 GGEDMM C#CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000155934674 1423600565 /nfs/dbraw/zinc/60/05/65/1423600565.db2.gz YJDXKFHSRCFHDA-UHFFFAOYSA-N -1 1 386.473 3.029 20 30 GGEDMM N#C[C@H]1CC[C@H](OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000179950511 1429659095 /nfs/dbraw/zinc/65/90/95/1429659095.db2.gz ZDAOUFBFMKHYAZ-GUYCJALGSA-N -1 1 388.420 3.476 20 30 GGEDMM N#C[C@H]1CC[C@@H](OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000179950496 1429659119 /nfs/dbraw/zinc/65/91/19/1429659119.db2.gz ZDAOUFBFMKHYAZ-SUMWQHHRSA-N -1 1 388.420 3.476 20 30 GGEDMM C=CCN(Cc1ccc(Cl)s1)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000823909845 1423645174 /nfs/dbraw/zinc/64/51/74/1423645174.db2.gz SAJDVPQESNERNK-UHFFFAOYSA-N -1 1 385.884 3.418 20 30 GGEDMM COCc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737016705 1423655782 /nfs/dbraw/zinc/65/57/82/1423655782.db2.gz FONJRAGICLRARR-UHFFFAOYSA-N -1 1 376.342 3.478 20 30 GGEDMM C#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000156198349 1423720665 /nfs/dbraw/zinc/72/06/65/1423720665.db2.gz DFLBFWRDJDZMJD-UHFFFAOYSA-N -1 1 388.464 3.468 20 30 GGEDMM C=C(C)[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)OCC ZINC000823874273 1423751162 /nfs/dbraw/zinc/75/11/62/1423751162.db2.gz UWWXTXYHVUEIOO-AWEZNQCLSA-N -1 1 395.257 3.044 20 30 GGEDMM C#CCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000156318244 1423775946 /nfs/dbraw/zinc/77/59/46/1423775946.db2.gz UZGSWHHOQOUXJP-UHFFFAOYSA-N -1 1 392.427 3.299 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc(Br)cc2Cl)o1 ZINC000823963175 1423791006 /nfs/dbraw/zinc/79/10/06/1423791006.db2.gz XJBZDJDIWZTBCI-UHFFFAOYSA-N -1 1 396.636 3.415 20 30 GGEDMM N#Cc1ccc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737716989 1423817371 /nfs/dbraw/zinc/81/73/71/1423817371.db2.gz XYJWHLIEXBERKG-HNNXBMFYSA-N -1 1 386.337 3.413 20 30 GGEDMM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21 ZINC000156530919 1423823713 /nfs/dbraw/zinc/82/37/13/1423823713.db2.gz HZGLVYSSNFCJSK-UHFFFAOYSA-N -1 1 389.864 3.312 20 30 GGEDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1Cl ZINC000156746691 1423858190 /nfs/dbraw/zinc/85/81/90/1423858190.db2.gz YBYKJQIHXHNIMI-UHFFFAOYSA-N -1 1 385.228 3.452 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1nnn[n-]1 ZINC000826191130 1423894537 /nfs/dbraw/zinc/89/45/37/1423894537.db2.gz XWDNWBOIGRMIIW-KXFIGUGUSA-N -1 1 385.767 3.333 20 30 GGEDMM N#Cc1c[nH]c(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)c1 ZINC000822819331 1423902274 /nfs/dbraw/zinc/90/22/74/1423902274.db2.gz PYOTWQWLEVJKMB-UHFFFAOYSA-N -1 1 389.350 3.250 20 30 GGEDMM CCC[C@@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821009425 1429687551 /nfs/dbraw/zinc/68/75/51/1429687551.db2.gz RCIAEBGRGQXAQS-INIZCTEOSA-N -1 1 376.420 3.390 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nc(C(C)(C)C)cs1 ZINC000157325084 1423985080 /nfs/dbraw/zinc/98/50/80/1423985080.db2.gz FXSMXZWRNNPPEZ-SNVBAGLBSA-N -1 1 394.478 3.260 20 30 GGEDMM C=CCN(C(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1)C(C)C ZINC000735416363 1424021003 /nfs/dbraw/zinc/02/10/03/1424021003.db2.gz HKDNFLPFCJBWCA-UHFFFAOYSA-N -1 1 377.448 3.482 20 30 GGEDMM N#Cc1ccc(-n2ccc(NCc3cccc(-c4nn[n-]n4)c3)n2)c(Cl)c1 ZINC000826384123 1424037696 /nfs/dbraw/zinc/03/76/96/1424037696.db2.gz HRMKEQIDYZHXLC-UHFFFAOYSA-N -1 1 376.811 3.190 20 30 GGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000157596888 1424045207 /nfs/dbraw/zinc/04/52/07/1424045207.db2.gz WXMWUQAXXBVSQQ-UHFFFAOYSA-N -1 1 385.367 3.212 20 30 GGEDMM C#CCOCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000157658986 1424059148 /nfs/dbraw/zinc/05/91/48/1424059148.db2.gz GAWAFGYEQFSWHW-UHFFFAOYSA-N -1 1 392.864 3.119 20 30 GGEDMM O=C(C=Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826403414 1424099309 /nfs/dbraw/zinc/09/93/09/1424099309.db2.gz RJMMVCYTPNNOJS-VURMDHGXSA-N -1 1 395.785 3.136 20 30 GGEDMM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000157979408 1424132920 /nfs/dbraw/zinc/13/29/20/1424132920.db2.gz LGIXYUUGHBOHJB-UHFFFAOYSA-N -1 1 392.864 3.463 20 30 GGEDMM C=C[C@H](CC(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1)c1ccccc1 ZINC000823882893 1424153769 /nfs/dbraw/zinc/15/37/69/1424153769.db2.gz FJZXYMWBVVDYLN-CQSZACIVSA-N -1 1 392.415 3.056 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000819742864 1424181002 /nfs/dbraw/zinc/18/10/02/1424181002.db2.gz AYSFYUZRBCXTQS-HNNXBMFYSA-N -1 1 376.411 3.142 20 30 GGEDMM COc1ccccc1-c1ccc(CN=Nc2oc(C)nc2-c2nnn[n-]2)cc1 ZINC000737143038 1429711032 /nfs/dbraw/zinc/71/10/32/1429711032.db2.gz OOAPNCBUOISUJG-UHFFFAOYSA-N -1 1 375.392 3.285 20 30 GGEDMM N#Cc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000737705389 1424250019 /nfs/dbraw/zinc/25/00/19/1424250019.db2.gz PQGIVLIVVWFCDQ-UHFFFAOYSA-N -1 1 380.383 3.065 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cn1 ZINC000158678500 1424317416 /nfs/dbraw/zinc/31/74/16/1424317416.db2.gz RFVUHSMXRVRKLK-UHFFFAOYSA-N -1 1 393.403 3.436 20 30 GGEDMM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000820939693 1424440682 /nfs/dbraw/zinc/44/06/82/1424440682.db2.gz XDXFKTJJAGUHNL-CYBMUJFWSA-N -1 1 399.867 3.123 20 30 GGEDMM Cc1nn(-c2ccc(Cl)cc2)cc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826331387 1424460285 /nfs/dbraw/zinc/46/02/85/1424460285.db2.gz FZBYSFIXGRQMDX-UHFFFAOYSA-N -1 1 378.827 3.460 20 30 GGEDMM Cc1noc(C)c1[C@H](C)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000159680716 1424523828 /nfs/dbraw/zinc/52/38/28/1424523828.db2.gz GDYKCRCAZAKAFI-TVQRCGJNSA-N -1 1 396.472 3.448 20 30 GGEDMM CCc1ncsc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000160066886 1424569035 /nfs/dbraw/zinc/56/90/35/1424569035.db2.gz RJAHKGXFIKFFEK-JTQLQIEISA-N -1 1 384.486 3.372 20 30 GGEDMM N#Cc1ccccc1Oc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000181715958 1424587931 /nfs/dbraw/zinc/58/79/31/1424587931.db2.gz NATHHKQADNBIPM-UHFFFAOYSA-N -1 1 396.410 3.461 20 30 GGEDMM C=CCc1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc(OC)c1OC ZINC000823937433 1424592629 /nfs/dbraw/zinc/59/26/29/1424592629.db2.gz XSCWKDKXBNCVCV-UHFFFAOYSA-N -1 1 398.394 3.109 20 30 GGEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824178497 1429740197 /nfs/dbraw/zinc/74/01/97/1429740197.db2.gz VBCLEAYKOMFXGP-UHFFFAOYSA-N -1 1 397.822 3.293 20 30 GGEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000160715844 1424629868 /nfs/dbraw/zinc/62/98/68/1424629868.db2.gz BHFAQSJOHXVGNH-UHFFFAOYSA-N -1 1 394.475 3.208 20 30 GGEDMM C=CCOc1cccc(NC(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000161004584 1424651353 /nfs/dbraw/zinc/65/13/53/1424651353.db2.gz PKYGGFVDJUEXBL-UHFFFAOYSA-N -1 1 390.443 3.276 20 30 GGEDMM C#CCOc1ccc(C(=O)Nc2nc(C)c(-c3n[n-]c(=S)n3C)s2)cc1 ZINC000161033102 1424654447 /nfs/dbraw/zinc/65/44/47/1424654447.db2.gz APBJWWZIVAYTEM-UHFFFAOYSA-N -1 1 385.474 3.174 20 30 GGEDMM C=C(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000161144148 1424661557 /nfs/dbraw/zinc/66/15/57/1424661557.db2.gz DPTBRYYTEWHAEE-UHFFFAOYSA-N -1 1 389.433 3.010 20 30 GGEDMM C=CCN(CCc1ccccc1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000161470805 1424693492 /nfs/dbraw/zinc/69/34/92/1424693492.db2.gz NKFFCKDPJATLHS-UHFFFAOYSA-N -1 1 378.476 3.242 20 30 GGEDMM C=CCCOCCNc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000161536585 1424703847 /nfs/dbraw/zinc/70/38/47/1424703847.db2.gz MVKXQTNIVSRBGB-UHFFFAOYSA-N -1 1 383.420 3.165 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OCCCC#N)cc2)ccc1F ZINC000180130385 1429750773 /nfs/dbraw/zinc/75/07/73/1429750773.db2.gz IROBDPCZJYSRCK-UHFFFAOYSA-N -1 1 376.409 3.396 20 30 GGEDMM CCN(CC)c1ncc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000825417312 1424819518 /nfs/dbraw/zinc/81/95/18/1424819518.db2.gz PVCLCBMNEYOODP-UHFFFAOYSA-N -1 1 376.877 3.269 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000162177020 1424823314 /nfs/dbraw/zinc/82/33/14/1424823314.db2.gz RZUJJONJDCUVAK-IBGZPJMESA-N -1 1 389.452 3.357 20 30 GGEDMM CC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000162177121 1424823464 /nfs/dbraw/zinc/82/34/64/1424823464.db2.gz RZUJJONJDCUVAK-LJQANCHMSA-N -1 1 389.452 3.357 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(Cc2ccccn2)c2ccc(Cl)cc2)o1 ZINC000822422857 1424881058 /nfs/dbraw/zinc/88/10/58/1424881058.db2.gz DVIWMXKMUSNQPU-UHFFFAOYSA-N -1 1 394.826 3.270 20 30 GGEDMM N#Cc1ccccc1N1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826387144 1424895077 /nfs/dbraw/zinc/89/50/77/1424895077.db2.gz IGGNGGDSLFGLTE-UHFFFAOYSA-N -1 1 396.458 3.003 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC000823914782 1424920589 /nfs/dbraw/zinc/92/05/89/1424920589.db2.gz NNNVJIIPGBJQSQ-AWEZNQCLSA-N -1 1 379.468 3.171 20 30 GGEDMM Cn1cc(C#N)cc1C(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822668951 1424934790 /nfs/dbraw/zinc/93/47/90/1424934790.db2.gz DWPBPZGSRVTUQH-UHFFFAOYSA-N -1 1 386.371 3.088 20 30 GGEDMM N#Cc1csc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826387726 1424954173 /nfs/dbraw/zinc/95/41/73/1424954173.db2.gz NMKQPZRFRTWFTA-UHFFFAOYSA-N -1 1 382.840 3.251 20 30 GGEDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2nnn[n-]2)s1 ZINC000823635467 1424971385 /nfs/dbraw/zinc/97/13/85/1424971385.db2.gz XHPHAIYNZCHLCU-UHFFFAOYSA-N -1 1 383.315 3.301 20 30 GGEDMM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC#Cc1cccc(Cl)c1 ZINC000822505216 1424998923 /nfs/dbraw/zinc/99/89/23/1424998923.db2.gz COUMHSJMBVONLZ-UHFFFAOYSA-N -1 1 375.823 3.139 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCc2n[nH]c3ccccc32)o1 ZINC000824413861 1429768830 /nfs/dbraw/zinc/76/88/30/1429768830.db2.gz QXCZBHNBSHYHHA-UHFFFAOYSA-N -1 1 393.455 3.350 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)c1c(C)noc1C ZINC000823910076 1425000461 /nfs/dbraw/zinc/00/04/61/1425000461.db2.gz XEGXEUKHSQTGJN-KRWDZBQOSA-N -1 1 395.467 3.320 20 30 GGEDMM C=CCn1c(SCc2ccc(-c3nnn[n-]3)cc2OC)nnc1-c1ccco1 ZINC000823937086 1425019455 /nfs/dbraw/zinc/01/94/55/1425019455.db2.gz HLMXMMIOHMWZQC-UHFFFAOYSA-N -1 1 395.448 3.205 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1csc(C)n1 ZINC000735418666 1425028461 /nfs/dbraw/zinc/02/84/61/1425028461.db2.gz IEUXKUHVVUWYMA-GFCCVEGCSA-N -1 1 383.481 3.090 20 30 GGEDMM N#Cc1ccc(O)c(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826385795 1425045252 /nfs/dbraw/zinc/04/52/52/1425045252.db2.gz ATFAPKVSQMFDCI-UHFFFAOYSA-N -1 1 398.382 3.489 20 30 GGEDMM N#Cc1ccc(O)c(NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)c1 ZINC000826385795 1425045260 /nfs/dbraw/zinc/04/52/60/1425045260.db2.gz ATFAPKVSQMFDCI-UHFFFAOYSA-N -1 1 398.382 3.489 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc(Cl)ccc2OC(F)F)o1 ZINC000819782524 1425131678 /nfs/dbraw/zinc/13/16/78/1425131678.db2.gz MTGQCVPKOQSSSR-UHFFFAOYSA-N -1 1 383.746 3.254 20 30 GGEDMM Fc1ccccc1NC(=S)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000822796728 1425190722 /nfs/dbraw/zinc/19/07/22/1425190722.db2.gz XAOJFGBWHZASTQ-UHFFFAOYSA-N -1 1 381.440 3.033 20 30 GGEDMM COc1cc(C)c(C(C)=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1OC ZINC000826177392 1425229904 /nfs/dbraw/zinc/22/99/04/1425229904.db2.gz GNLNPDCWQIDFEV-UHFFFAOYSA-N -1 1 387.831 3.077 20 30 GGEDMM COc1cc(C)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1OC ZINC000826177392 1425229909 /nfs/dbraw/zinc/22/99/09/1425229909.db2.gz GNLNPDCWQIDFEV-UHFFFAOYSA-N -1 1 387.831 3.077 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1-c1ccc(F)cc1 ZINC000822015472 1425240433 /nfs/dbraw/zinc/24/04/33/1425240433.db2.gz KDJZWHKPAQNMDQ-SOFGYWHQSA-N -1 1 380.408 3.458 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000823932138 1425269358 /nfs/dbraw/zinc/26/93/58/1425269358.db2.gz PQFADMHJXAFWQK-YWEYNIOJSA-N -1 1 380.379 3.475 20 30 GGEDMM Fc1ccc(Br)cc1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826373635 1425310082 /nfs/dbraw/zinc/31/00/82/1425310082.db2.gz ULYVLGMHZKUUQV-UHFFFAOYSA-N -1 1 396.611 3.263 20 30 GGEDMM CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nnn[n-]2)s1 ZINC000823963219 1425311110 /nfs/dbraw/zinc/31/11/10/1425311110.db2.gz YIBOKTKBHRBTHI-UHFFFAOYSA-N -1 1 386.828 3.468 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000823909937 1425336399 /nfs/dbraw/zinc/33/63/99/1425336399.db2.gz SMJLOQQZIAAVCM-RTBURBONSA-N -1 1 398.511 3.158 20 30 GGEDMM COc1ccc(C#N)cc1NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737065486 1425339798 /nfs/dbraw/zinc/33/97/98/1425339798.db2.gz MTDVMXHFADHGLW-UHFFFAOYSA-N -1 1 385.840 3.209 20 30 GGEDMM N#Cc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cc2Cl)cc1Cl ZINC000822829786 1425347576 /nfs/dbraw/zinc/34/75/76/1425347576.db2.gz IYMYJOKPDGUHIH-UHFFFAOYSA-N -1 1 388.218 3.096 20 30 GGEDMM C=CCCS(=O)(=O)Oc1ccccc1Oc1ccc(-c2nnn[n-]2)cc1F ZINC000823899113 1425432319 /nfs/dbraw/zinc/43/23/19/1425432319.db2.gz MBGGXSHRXWGKOS-UHFFFAOYSA-N -1 1 390.396 3.083 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cnn(-c3cc(C)ccc3C)c2C)o1 ZINC000735451374 1425659288 /nfs/dbraw/zinc/65/92/88/1425659288.db2.gz YYCVXHRSLWHVDJ-UHFFFAOYSA-N -1 1 391.439 3.110 20 30 GGEDMM Cc1cc(C)n(N=Cc2cc(Cl)c3ccccc3c2O)c(=O)c1-c1nnn[n-]1 ZINC000826265387 1425700813 /nfs/dbraw/zinc/70/08/13/1425700813.db2.gz WYAGJVIYMKVDAY-UHFFFAOYSA-N -1 1 394.822 3.040 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819856816 1425703950 /nfs/dbraw/zinc/70/39/50/1425703950.db2.gz MSPZOODZSCCKKF-CYBMUJFWSA-N -1 1 378.461 3.300 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000820315787 1425749256 /nfs/dbraw/zinc/74/92/56/1425749256.db2.gz PJFIWAZRRAMLOX-LIRRHRJNSA-N -1 1 390.447 3.019 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCCC#N)cc2)ccc1F ZINC000171594600 1425752604 /nfs/dbraw/zinc/75/26/04/1425752604.db2.gz HSNKCIDTWPCJKX-UHFFFAOYSA-N -1 1 389.452 3.359 20 30 GGEDMM N#CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000171593926 1425752718 /nfs/dbraw/zinc/75/27/18/1425752718.db2.gz DWNWUBDOOZPRMF-UHFFFAOYSA-N -1 1 375.425 3.050 20 30 GGEDMM O=C(NCC#Cc1ccccc1)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738037634 1425797586 /nfs/dbraw/zinc/79/75/86/1425797586.db2.gz DXJPRTWEQDVIDO-UHFFFAOYSA-N -1 1 394.438 3.392 20 30 GGEDMM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737115985 1425817105 /nfs/dbraw/zinc/81/71/05/1425817105.db2.gz SSVLZGOBYRHVNE-CQSZACIVSA-N -1 1 388.431 3.196 20 30 GGEDMM CC1(C)Cc2[nH]c(=O)c(C([O-])=C(C#N)c3nc4ccccc4o3)cc2C(=O)C1 ZINC000171797284 1425823256 /nfs/dbraw/zinc/82/32/56/1425823256.db2.gz JXLJAHJWPSRUAT-ZDUSSCGKSA-N -1 1 375.384 3.161 20 30 GGEDMM N#C[C@H](C(=O)CCc1cscn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000172019106 1425875556 /nfs/dbraw/zinc/87/55/56/1425875556.db2.gz GYAHTVYTSAMJOQ-GFCCVEGCSA-N -1 1 384.486 3.129 20 30 GGEDMM Cc1nc(-c2cccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2)cs1 ZINC000822418870 1425908156 /nfs/dbraw/zinc/90/81/56/1425908156.db2.gz HLKAKRWFAOSTNI-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000735451133 1425908408 /nfs/dbraw/zinc/90/84/08/1425908408.db2.gz PLSHGWQWCQZKSA-UHFFFAOYSA-N -1 1 396.367 3.136 20 30 GGEDMM FC(F)(F)c1nc2ccccc2c(NN=Cc2cc(-c3nnn[n-]3)cs2)n1 ZINC000822729213 1425968753 /nfs/dbraw/zinc/96/87/53/1425968753.db2.gz WFKVYGKGEQOAEO-UHFFFAOYSA-N -1 1 390.354 3.336 20 30 GGEDMM N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000737718192 1425984205 /nfs/dbraw/zinc/98/42/05/1425984205.db2.gz LHWHTZHJVTVGLG-UHFFFAOYSA-N -1 1 388.815 3.262 20 30 GGEDMM N#Cc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1-c1nnn[n-]1 ZINC000737720036 1425987396 /nfs/dbraw/zinc/98/73/96/1425987396.db2.gz ZIRRBSCCDBPTID-UHFFFAOYSA-N -1 1 376.395 3.328 20 30 GGEDMM N#Cc1cccc(OCCCCC(=O)OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737730698 1426039124 /nfs/dbraw/zinc/03/91/24/1426039124.db2.gz PYHMHFQJVZSHTJ-UHFFFAOYSA-N -1 1 377.404 3.031 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1c(OC)cc(OC)cc1OC ZINC000823914117 1426050422 /nfs/dbraw/zinc/05/04/22/1426050422.db2.gz AOOJYIYYBDZGJF-UHFFFAOYSA-N -1 1 395.463 3.081 20 30 GGEDMM N#Cc1cnc2ccccc2c1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737727973 1426097933 /nfs/dbraw/zinc/09/79/33/1426097933.db2.gz GJBVBNIHYZUESJ-UHFFFAOYSA-N -1 1 387.472 3.054 20 30 GGEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172590966 1426101959 /nfs/dbraw/zinc/10/19/59/1426101959.db2.gz FOMUZZTZGQNABA-UHFFFAOYSA-N -1 1 395.484 3.482 20 30 GGEDMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172591154 1426102185 /nfs/dbraw/zinc/10/21/85/1426102185.db2.gz UFRNNEYZCADDFZ-UHFFFAOYSA-N -1 1 385.489 3.362 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000172591029 1426102259 /nfs/dbraw/zinc/10/22/59/1426102259.db2.gz CEOBGMJQYOAKJX-QGZVFWFLSA-N -1 1 382.445 3.395 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCCC2)c1 ZINC000172590662 1426102410 /nfs/dbraw/zinc/10/24/10/1426102410.db2.gz VOYICCOSCJOKQN-UHFFFAOYSA-N -1 1 383.473 3.294 20 30 GGEDMM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C#N)cc1C ZINC000825609482 1426122821 /nfs/dbraw/zinc/12/28/21/1426122821.db2.gz NICQRSFQTBQLNU-UHFFFAOYSA-N -1 1 383.795 3.318 20 30 GGEDMM Fc1cc(-c2nnn[n-]2)ccc1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822739659 1426128527 /nfs/dbraw/zinc/12/85/27/1426128527.db2.gz BHWYGOKTPDTWMM-UHFFFAOYSA-N -1 1 375.329 3.166 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCO[C@H]1C(C)C ZINC000819743100 1426136650 /nfs/dbraw/zinc/13/66/50/1426136650.db2.gz CNJMOLQFYMTEHG-OALUTQOASA-N -1 1 398.511 3.016 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000172675135 1426138516 /nfs/dbraw/zinc/13/85/16/1426138516.db2.gz LUSCRVSAQKXLLV-IYBDPMFKSA-N -1 1 385.489 3.281 20 30 GGEDMM Cc1ccc(N(CCC#N)C(=O)CNc2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000822241217 1426148251 /nfs/dbraw/zinc/14/82/51/1426148251.db2.gz OUJUYTFSYUKRAR-UHFFFAOYSA-N -1 1 389.463 3.151 20 30 GGEDMM C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403711 1426182368 /nfs/dbraw/zinc/18/23/68/1426182368.db2.gz LJYUVSKNMLQPEV-SNVBAGLBSA-N -1 1 383.868 3.439 20 30 GGEDMM N#Cc1ccc(Oc2ccc(C(=O)OCc3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000737721290 1426258504 /nfs/dbraw/zinc/25/85/04/1426258504.db2.gz ILKFRCQYPNWZJG-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM CCCNc1ccc(C#N)cc1NC(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000173041510 1426319477 /nfs/dbraw/zinc/31/94/77/1426319477.db2.gz FAUOZXLVNOSQBD-UHFFFAOYSA-N -1 1 385.493 3.065 20 30 GGEDMM C=CC1CCN(C(=O)c2ccc(COc3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000735402865 1426323076 /nfs/dbraw/zinc/32/30/76/1426323076.db2.gz LSFHAINMELHLET-UHFFFAOYSA-N -1 1 379.420 3.077 20 30 GGEDMM O=C(C#Cc1ccccc1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822912398 1426374441 /nfs/dbraw/zinc/37/44/41/1426374441.db2.gz YMSSSBCXJSLZTE-UHFFFAOYSA-N -1 1 382.383 3.044 20 30 GGEDMM Cc1cc(F)ccc1-c1ccc(C=Nn2c(C)cc(C)c(-c3nnn[n-]3)c2=O)o1 ZINC000737263720 1426394871 /nfs/dbraw/zinc/39/48/71/1426394871.db2.gz OMENVSKGUXHUOO-UHFFFAOYSA-N -1 1 392.394 3.235 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000826234095 1426423726 /nfs/dbraw/zinc/42/37/26/1426423726.db2.gz IBLDFRXHJXHODO-UHFFFAOYSA-N -1 1 397.442 3.327 20 30 GGEDMM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826157304 1426446428 /nfs/dbraw/zinc/44/64/28/1426446428.db2.gz QBGDRAHSHRYNFQ-RMKNXTFCSA-N -1 1 382.395 3.317 20 30 GGEDMM C=C[C@H](CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC000823883135 1426468811 /nfs/dbraw/zinc/46/88/11/1426468811.db2.gz JTHNQGHYOUCUPD-UZLBHIALSA-N -1 1 389.459 3.127 20 30 GGEDMM COc1sc(C=NNc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826222473 1426477123 /nfs/dbraw/zinc/47/71/23/1426477123.db2.gz YGLOIMFCHCXUAU-UHFFFAOYSA-N -1 1 379.243 3.145 20 30 GGEDMM C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824516092 1426484236 /nfs/dbraw/zinc/48/42/36/1426484236.db2.gz VXXIHNRZUKPDCV-ZDUSSCGKSA-N -1 1 383.415 3.224 20 30 GGEDMM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826163164 1426488573 /nfs/dbraw/zinc/48/85/73/1426488573.db2.gz IVLHDTYIMNATBV-VURMDHGXSA-N -1 1 386.358 3.066 20 30 GGEDMM C=CCn1c(SCc2ccc(-c3nnn[n-]3)cc2F)nnc1-c1ccccn1 ZINC000819766450 1426522683 /nfs/dbraw/zinc/52/26/83/1426522683.db2.gz YTPUJSADJPIMGG-UHFFFAOYSA-N -1 1 394.439 3.138 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2ccc(Oc3cccnc3)c(C)c2)o1 ZINC000737467513 1426539581 /nfs/dbraw/zinc/53/95/81/1426539581.db2.gz RDEKZWYQFXPVEZ-UHFFFAOYSA-N -1 1 376.380 3.105 20 30 GGEDMM C#CCCCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000823842168 1426550437 /nfs/dbraw/zinc/55/04/37/1426550437.db2.gz YDSPGEYXXJUINZ-UHFFFAOYSA-N -1 1 379.386 3.341 20 30 GGEDMM N#C[C@@H](C(=O)[C@H]1CC12CCC2)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822802226 1426563149 /nfs/dbraw/zinc/56/31/49/1426563149.db2.gz XLFGOELBSSKZMX-UONOGXRCSA-N -1 1 376.445 3.357 20 30 GGEDMM C#Cc1cccc(N(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735390120 1426569397 /nfs/dbraw/zinc/56/93/97/1426569397.db2.gz PAKDIEACFJRDFE-HNNXBMFYSA-N -1 1 375.432 3.057 20 30 GGEDMM N#Cc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(Cl)c1 ZINC000737722173 1426569870 /nfs/dbraw/zinc/56/98/70/1426569870.db2.gz PEXVVDPAMWBGHN-UHFFFAOYSA-N -1 1 379.767 3.021 20 30 GGEDMM N#Cc1cc(NC(=O)CSCc2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737710382 1426573711 /nfs/dbraw/zinc/57/37/11/1426573711.db2.gz XPEKSAGYSUPTLU-UHFFFAOYSA-N -1 1 384.852 3.264 20 30 GGEDMM C=CCOCCCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819750899 1426594568 /nfs/dbraw/zinc/59/45/68/1426594568.db2.gz JYWSDKDDICMBMR-UHFFFAOYSA-N -1 1 383.477 3.194 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(Cc2ccccc2)C(F)F)o1 ZINC000824280226 1426599903 /nfs/dbraw/zinc/59/99/03/1426599903.db2.gz HIHMSKQDXSAIOX-UHFFFAOYSA-N -1 1 375.383 3.329 20 30 GGEDMM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1Oc1cccnc1 ZINC000822198659 1426600886 /nfs/dbraw/zinc/60/08/86/1426600886.db2.gz FARDBIOEZYOMKD-UHFFFAOYSA-N -1 1 385.431 3.486 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccccc2OCC(F)(F)F)o1 ZINC000735939377 1426617957 /nfs/dbraw/zinc/61/79/57/1426617957.db2.gz OEBUXCQHYNYJMU-UHFFFAOYSA-N -1 1 395.345 3.365 20 30 GGEDMM C=C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883558 1426655583 /nfs/dbraw/zinc/65/55/83/1426655583.db2.gz UAMJTMVDSUEUMW-LSDHHAIUSA-N -1 1 391.431 3.097 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1csc(CC)n1 ZINC000735418563 1426679185 /nfs/dbraw/zinc/67/91/85/1426679185.db2.gz GUZSUUPGJZXBEU-ZDUSSCGKSA-N -1 1 397.508 3.344 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)ccc1-c1nnn[n-]1 ZINC000737708080 1426731520 /nfs/dbraw/zinc/73/15/20/1426731520.db2.gz CUKVPGUARLYCQH-UHFFFAOYSA-N -1 1 377.166 3.437 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)s1 ZINC000826385096 1426793005 /nfs/dbraw/zinc/79/30/05/1426793005.db2.gz XBVXCHAHXKZLPT-UHFFFAOYSA-N -1 1 379.430 3.176 20 30 GGEDMM CCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825632281 1426795889 /nfs/dbraw/zinc/79/58/89/1426795889.db2.gz NWVAEFYVLJIHSS-DAXSKMNVSA-N -1 1 395.375 3.078 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ncc(CCC)s1 ZINC000823915321 1426796545 /nfs/dbraw/zinc/79/65/45/1426796545.db2.gz USKBJNDLLGCUOO-UHFFFAOYSA-N -1 1 383.481 3.496 20 30 GGEDMM Cc1nnc(SCc2cc(Cl)ccc2OCC#N)c(-c2nnn[n-]2)c1C ZINC000826337394 1426829198 /nfs/dbraw/zinc/82/91/98/1426829198.db2.gz NBHIUYOBLZYQDS-UHFFFAOYSA-N -1 1 387.856 3.122 20 30 GGEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)S1 ZINC000822293624 1426902873 /nfs/dbraw/zinc/90/28/73/1426902873.db2.gz DZVFBSHMAUGOMX-QPEQYQDCSA-N -1 1 382.474 3.437 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(NN=Cc2cc(Br)cs2)n1 ZINC000826350325 1426909416 /nfs/dbraw/zinc/90/94/16/1426909416.db2.gz QVDGNFNZGBHJDB-UHFFFAOYSA-N -1 1 384.650 3.185 20 30 GGEDMM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715978 1426914111 /nfs/dbraw/zinc/91/41/11/1426914111.db2.gz VXSFYEPJMKAFJU-IFXJQAMLSA-N -1 1 388.431 3.012 20 30 GGEDMM COc1ccc(CON=Cc2ccccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000826206555 1426917518 /nfs/dbraw/zinc/91/75/18/1426917518.db2.gz ACTMSZYRHZJWEG-UHFFFAOYSA-N -1 1 375.335 3.027 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(O)c(F)c2)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826234007 1426921110 /nfs/dbraw/zinc/92/11/10/1426921110.db2.gz DEFKVVLCGUSXQV-KRXBUXKQSA-N -1 1 390.378 3.102 20 30 GGEDMM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000820556038 1426927303 /nfs/dbraw/zinc/92/73/03/1426927303.db2.gz QXDDKEUSXKPZNI-ZDUSSCGKSA-N -1 1 396.451 3.433 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820164337 1426933460 /nfs/dbraw/zinc/93/34/60/1426933460.db2.gz IBAWDNLZPNMFTI-CYBMUJFWSA-N -1 1 391.435 3.408 20 30 GGEDMM N#Cc1ccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)s3)n2)cc1 ZINC000822823684 1426962299 /nfs/dbraw/zinc/96/22/99/1426962299.db2.gz XUIUVSZBERJDET-UHFFFAOYSA-N -1 1 379.430 3.176 20 30 GGEDMM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737548674 1426968189 /nfs/dbraw/zinc/96/81/89/1426968189.db2.gz QATKWHUSIWLTRB-UHFFFAOYSA-N -1 1 389.350 3.093 20 30 GGEDMM O=C(C=Cc1cnc2ccc(Br)cn12)c1ccc(-c2nnn[n-]2)cc1 ZINC000737807543 1426981382 /nfs/dbraw/zinc/98/13/82/1426981382.db2.gz PGUXRDLVXSYAGB-VOTSOKGWSA-N -1 1 395.220 3.173 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000174067066 1426984274 /nfs/dbraw/zinc/98/42/74/1426984274.db2.gz ZQHQAYXZLJEZRL-NSHDSACASA-N -1 1 378.429 3.168 20 30 GGEDMM C=CCN(Cc1noc(C2CCCCC2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914994 1426988049 /nfs/dbraw/zinc/98/80/49/1426988049.db2.gz QWZILNTXFRBDFM-UHFFFAOYSA-N -1 1 379.468 3.486 20 30 GGEDMM COCC#CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826147361 1427038497 /nfs/dbraw/zinc/03/84/97/1427038497.db2.gz UZTDUCBFVDBWSF-UHFFFAOYSA-N -1 1 398.806 3.119 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-n3cccn3)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202382 1427045139 /nfs/dbraw/zinc/04/51/39/1427045139.db2.gz LUOROYPOPQAZHI-JXMROGBWSA-N -1 1 385.431 3.005 20 30 GGEDMM FC(F)Sc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000822736853 1427057193 /nfs/dbraw/zinc/05/71/93/1427057193.db2.gz LFOHUBBEXLSOEN-UHFFFAOYSA-N -1 1 395.420 3.095 20 30 GGEDMM C#CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OCC ZINC000823856778 1427082005 /nfs/dbraw/zinc/08/20/05/1427082005.db2.gz XYGACXRLIRSYSZ-UITAMQMPSA-N -1 1 392.390 3.313 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)nnn1-c1ccc(Cl)cc1 ZINC000826234218 1427126910 /nfs/dbraw/zinc/12/69/10/1427126910.db2.gz MTJPNXXYYJNMEZ-IZZDOVSWSA-N -1 1 391.822 3.305 20 30 GGEDMM O=C(C=Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737796955 1427145877 /nfs/dbraw/zinc/14/58/77/1427145877.db2.gz PEOXHPIHGPUWGM-WAYWQWQTSA-N -1 1 386.314 3.093 20 30 GGEDMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000174414948 1427147508 /nfs/dbraw/zinc/14/75/08/1427147508.db2.gz YQHJZIVJVINPJZ-UHFFFAOYSA-N -1 1 381.436 3.243 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822802031 1427184503 /nfs/dbraw/zinc/18/45/03/1427184503.db2.gz UMDKNGKPHSXCNX-HOTGVXAUSA-N -1 1 375.392 3.051 20 30 GGEDMM N#Cc1ccc(F)c(CNC(=O)CCn2c(-c3cccs3)n[n-]c2=S)c1 ZINC000174547740 1427216536 /nfs/dbraw/zinc/21/65/36/1427216536.db2.gz VDSZMXGBVRYYOB-UHFFFAOYSA-N -1 1 387.465 3.386 20 30 GGEDMM Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC000737462967 1427255081 /nfs/dbraw/zinc/25/50/81/1427255081.db2.gz BYHYMYWJSRHFRY-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM C=CCCOCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823899095 1427258003 /nfs/dbraw/zinc/25/80/03/1427258003.db2.gz LAVWNKGZNNMYQF-UHFFFAOYSA-N -1 1 394.435 3.373 20 30 GGEDMM COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1-c1ccccn1 ZINC000826187169 1427268515 /nfs/dbraw/zinc/26/85/15/1427268515.db2.gz CVFHOBLGNNGOEW-UHFFFAOYSA-N -1 1 397.398 3.061 20 30 GGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000174736909 1427339716 /nfs/dbraw/zinc/33/97/16/1427339716.db2.gz FEFZEHFVJSWIMV-UHFFFAOYSA-N -1 1 398.488 3.456 20 30 GGEDMM N#CCC1(COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000174750434 1427347801 /nfs/dbraw/zinc/34/78/01/1427347801.db2.gz ZCCJTTKUOTWUGY-UHFFFAOYSA-N -1 1 388.420 3.477 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccnc(Oc3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000737719528 1427421765 /nfs/dbraw/zinc/42/17/65/1427421765.db2.gz RDHYZVXZWUMRKW-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826213563 1427426560 /nfs/dbraw/zinc/42/65/60/1427426560.db2.gz BNKSLXKJCZPEIW-SOFGYWHQSA-N -1 1 390.378 3.301 20 30 GGEDMM CC(C)c1cccc2c1OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000824352558 1427536416 /nfs/dbraw/zinc/53/64/16/1427536416.db2.gz IMUVEJUVXVZBDY-RIYZIHGNSA-N -1 1 386.415 3.297 20 30 GGEDMM CC(=NNc1nc2ccccc2[nH]1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735451009 1427548186 /nfs/dbraw/zinc/54/81/86/1427548186.db2.gz MPJHZNNUCSZERJ-UHFFFAOYSA-N -1 1 398.434 3.073 20 30 GGEDMM O=C(C#Cc1ccccc1)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000175105497 1427549313 /nfs/dbraw/zinc/54/93/13/1427549313.db2.gz FRRZQTKHIWJYJP-UHFFFAOYSA-N -1 1 390.464 3.155 20 30 GGEDMM C[C@@H]1CC(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)=NO1 ZINC000824892272 1427565769 /nfs/dbraw/zinc/56/57/69/1427565769.db2.gz GEEQZTDSKBSARD-SNVBAGLBSA-N -1 1 398.810 3.165 20 30 GGEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(=O)[n-]1 ZINC000175258011 1427629750 /nfs/dbraw/zinc/62/97/50/1427629750.db2.gz PZVYPSBOQYMFHS-UHFFFAOYSA-N -1 1 396.394 3.262 20 30 GGEDMM CCC(CC)CN(CCC#N)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736336234 1427632308 /nfs/dbraw/zinc/63/23/08/1427632308.db2.gz BEAMNIRGMDNNNQ-UHFFFAOYSA-N -1 1 378.484 3.340 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1-c1ccc(C#N)cc1 ZINC000822015091 1427652643 /nfs/dbraw/zinc/65/26/43/1427652643.db2.gz CCYIYPOLXZDBMH-SREVYHEPSA-N -1 1 387.428 3.190 20 30 GGEDMM Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000175321972 1427676459 /nfs/dbraw/zinc/67/64/59/1427676459.db2.gz ZEHOSVVBKRJGKZ-UHFFFAOYSA-N -1 1 380.429 3.248 20 30 GGEDMM N#Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737715862 1427709824 /nfs/dbraw/zinc/70/98/24/1427709824.db2.gz FXVNQEHRHPDOOK-UHFFFAOYSA-N -1 1 382.811 3.189 20 30 GGEDMM CCCCCCCCc1nnc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)s1 ZINC000821055826 1427728566 /nfs/dbraw/zinc/72/85/66/1427728566.db2.gz HDJUIWKAWNCWRQ-UHFFFAOYSA-N -1 1 388.501 3.212 20 30 GGEDMM COc1ccc2cccc(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2c1 ZINC000826213322 1427742258 /nfs/dbraw/zinc/74/22/58/1427742258.db2.gz SWZXKBQGRMEYSJ-UHFFFAOYSA-N -1 1 384.399 3.081 20 30 GGEDMM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401468 1427757442 /nfs/dbraw/zinc/75/74/42/1427757442.db2.gz ZTRXOUUTAXGEOV-BAQGIRSFSA-N -1 1 388.362 3.484 20 30 GGEDMM C=CC1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735402501 1427783691 /nfs/dbraw/zinc/78/36/91/1427783691.db2.gz CSHCKYRFYSQVNI-UHFFFAOYSA-N -1 1 379.420 3.077 20 30 GGEDMM Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1cccc(-c2nnn[n-]2)c1 ZINC000826334874 1427788889 /nfs/dbraw/zinc/78/88/89/1427788889.db2.gz NBYXLYLQSODLPF-UHFFFAOYSA-N -1 1 387.447 3.279 20 30 GGEDMM Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000737289726 1427806288 /nfs/dbraw/zinc/80/62/88/1427806288.db2.gz XWLAQKHQCZNQLS-UHFFFAOYSA-N -1 1 399.414 3.273 20 30 GGEDMM O=C(C=Cc1cnc2ccc(Br)cn12)c1cccc(-c2nnn[n-]2)c1 ZINC000737804648 1427826873 /nfs/dbraw/zinc/82/68/73/1427826873.db2.gz CRLZHYQFLVBFGS-AATRIKPKSA-N -1 1 395.220 3.173 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)COc1ccccc1 ZINC000819744084 1427859317 /nfs/dbraw/zinc/85/93/17/1427859317.db2.gz VUKKBQMJEQAMLQ-INIZCTEOSA-N -1 1 377.448 3.096 20 30 GGEDMM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826221863 1427859388 /nfs/dbraw/zinc/85/93/88/1427859388.db2.gz YTTOPSFUSZUVEN-VQHVLOKHSA-N -1 1 375.363 3.459 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccnc(Cl)c1 ZINC000823909379 1427880826 /nfs/dbraw/zinc/88/08/26/1427880826.db2.gz AWZMXXGIDKSRRE-VOTSOKGWSA-N -1 1 380.839 3.143 20 30 GGEDMM N#CCCN(Cc1ccco1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826382138 1427915241 /nfs/dbraw/zinc/91/52/41/1427915241.db2.gz QDDWYCHKSLUXOL-UHFFFAOYSA-N -1 1 387.241 3.138 20 30 GGEDMM Cc1c2c(nc(SCc3ccc(OCC#N)cc3)c1-c1nnn[n-]1)CCC2 ZINC000737219656 1428019617 /nfs/dbraw/zinc/01/96/17/1428019617.db2.gz SNVSIMYSLNNOTP-UHFFFAOYSA-N -1 1 378.461 3.254 20 30 GGEDMM CC[C@H](C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825039460 1428022276 /nfs/dbraw/zinc/02/22/76/1428022276.db2.gz RQJOEIAUYFWVHV-GFCCVEGCSA-N -1 1 382.811 3.344 20 30 GGEDMM CC[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000176011140 1428026116 /nfs/dbraw/zinc/02/61/16/1428026116.db2.gz RFKILZGNRUBCPN-OAHLLOKOSA-N -1 1 376.409 3.394 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000819743559 1428043433 /nfs/dbraw/zinc/04/34/33/1428043433.db2.gz LYBWDHGIAGWZTP-OFNKIYASSA-N -1 1 385.471 3.285 20 30 GGEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1cccc(C)c1 ZINC000823937321 1428064196 /nfs/dbraw/zinc/06/41/96/1428064196.db2.gz RRJVOVCWCFDWQD-UHFFFAOYSA-N -1 1 376.449 3.166 20 30 GGEDMM CC[C@H](C#N)Oc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000736310214 1428074590 /nfs/dbraw/zinc/07/45/90/1428074590.db2.gz WMOMVAIJZZUCGS-OAHLLOKOSA-N -1 1 375.436 3.043 20 30 GGEDMM N#Cc1cc(NC(=O)C2(c3cccc(Cl)c3)CCC2)ccc1-c1nnn[n-]1 ZINC000737706466 1428135590 /nfs/dbraw/zinc/13/55/90/1428135590.db2.gz XSQCQLFWFAEJQT-UHFFFAOYSA-N -1 1 378.823 3.452 20 30 GGEDMM CC(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1C(C)(C)C ZINC000735921065 1428144844 /nfs/dbraw/zinc/14/48/44/1428144844.db2.gz HOZSATMIEXHNOY-UHFFFAOYSA-N -1 1 378.440 3.066 20 30 GGEDMM CC(C)[C@](C)(C#N)NC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824184725 1428167413 /nfs/dbraw/zinc/16/74/13/1428167413.db2.gz JMLWVRMNJXWMNX-HNNXBMFYSA-N -1 1 398.414 3.032 20 30 GGEDMM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826214035 1428175712 /nfs/dbraw/zinc/17/57/12/1428175712.db2.gz XJEAJRYZTUCSDU-AATRIKPKSA-N -1 1 378.417 3.223 20 30 GGEDMM Cc1cc(C(=O)NCC#Cc2ccccc2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233397 1428196116 /nfs/dbraw/zinc/19/61/16/1428196116.db2.gz CEQBMASJXIMBJY-UHFFFAOYSA-N -1 1 396.454 3.056 20 30 GGEDMM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735391952 1429785330 /nfs/dbraw/zinc/78/53/30/1429785330.db2.gz YSWDUZARIPNFFV-UHFFFAOYSA-N -1 1 380.411 3.090 20 30 GGEDMM N#CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822811117 1429827993 /nfs/dbraw/zinc/82/79/93/1429827993.db2.gz SSHMNNBYFPHBHJ-UHFFFAOYSA-N -1 1 390.325 3.122 20 30 GGEDMM N#Cc1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c[nH]1 ZINC000180364596 1429847099 /nfs/dbraw/zinc/84/70/99/1429847099.db2.gz VXTQSGVTSKMACH-UHFFFAOYSA-N -1 1 384.392 3.079 20 30 GGEDMM N#C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCN1Cc1ccccc1 ZINC000180540209 1429893577 /nfs/dbraw/zinc/89/35/77/1429893577.db2.gz VOLSBRQCMATCPA-INIZCTEOSA-N -1 1 389.377 3.261 20 30 GGEDMM CCN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@@H](C)C#N ZINC000825435282 1429923512 /nfs/dbraw/zinc/92/35/12/1429923512.db2.gz SEXPLKSDPOQJPZ-INIZCTEOSA-N -1 1 376.464 3.427 20 30 GGEDMM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc2ccccc2n1CC#N ZINC000735660563 1429924890 /nfs/dbraw/zinc/92/48/90/1429924890.db2.gz CXWGSRVIZNHBLL-UHFFFAOYSA-N -1 1 388.435 3.154 20 30 GGEDMM N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1O ZINC000826387394 1429946455 /nfs/dbraw/zinc/94/64/55/1429946455.db2.gz SQXLDCOQDZWTKW-UHFFFAOYSA-N -1 1 382.383 3.363 20 30 GGEDMM N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1O ZINC000826387394 1429946457 /nfs/dbraw/zinc/94/64/57/1429946457.db2.gz SQXLDCOQDZWTKW-UHFFFAOYSA-N -1 1 382.383 3.363 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000820164046 1429948601 /nfs/dbraw/zinc/94/86/01/1429948601.db2.gz BGNGIUIAOQOVLN-ZDUSSCGKSA-N -1 1 391.435 3.408 20 30 GGEDMM COc1cccc(CC(N=Nc2oc(C)nc2-c2nnn[n-]2)c2ccccc2)c1 ZINC000821864384 1429958646 /nfs/dbraw/zinc/95/86/46/1429958646.db2.gz YLRKIIIWZPZGBT-UHFFFAOYSA-N -1 1 389.419 3.231 20 30 GGEDMM O=C(C=Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826403413 1429961277 /nfs/dbraw/zinc/96/12/77/1429961277.db2.gz RJMMVCYTPNNOJS-SOFGYWHQSA-N -1 1 395.785 3.136 20 30 GGEDMM N#Cc1ccc(F)c(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000822830245 1429972537 /nfs/dbraw/zinc/97/25/37/1429972537.db2.gz YWXIGJMTVWNBFB-UHFFFAOYSA-N -1 1 398.401 3.474 20 30 GGEDMM CC[C@@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736308790 1429973809 /nfs/dbraw/zinc/97/38/09/1429973809.db2.gz ICKAETSTMGOKHG-LBPRGKRZSA-N -1 1 382.811 3.344 20 30 GGEDMM COc1cc(C=NOCc2ccc(F)cc2-c2nnn[n-]2)cc(Cl)c1OC ZINC000737043064 1429976712 /nfs/dbraw/zinc/97/67/12/1429976712.db2.gz FJTNFQNNLWVUOA-UHFFFAOYSA-N -1 1 391.790 3.227 20 30 GGEDMM CC(C)CCN(CCC#N)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820076361 1429990944 /nfs/dbraw/zinc/99/09/44/1429990944.db2.gz ILRURZXUAPRTMU-UHFFFAOYSA-N -1 1 385.472 3.448 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735976659 1429991656 /nfs/dbraw/zinc/99/16/56/1429991656.db2.gz SXQGDNXQSLWURR-CYBMUJFWSA-N -1 1 394.460 3.278 20 30 GGEDMM C=CCN(Cc1nnc(-c2cc(C)oc2C)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823915375 1430004667 /nfs/dbraw/zinc/00/46/67/1430004667.db2.gz WLJNCRFVYIUCGT-UHFFFAOYSA-N -1 1 391.435 3.315 20 30 GGEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822928026 1430085910 /nfs/dbraw/zinc/08/59/10/1430085910.db2.gz CSKIAXJGIGFPPZ-XFXZXTDPSA-N -1 1 397.360 3.067 20 30 GGEDMM Oc1ccc(C=NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(O)c1O ZINC000826510994 1430108885 /nfs/dbraw/zinc/10/88/85/1430108885.db2.gz WTEUMYUHJZRQCF-WSDLNYQXSA-N -1 1 387.399 3.270 20 30 GGEDMM N#Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000737720876 1430132826 /nfs/dbraw/zinc/13/28/26/1430132826.db2.gz ANTJDHNSLWRECH-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM Brc1ccc(C=NOCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000819688050 1430142964 /nfs/dbraw/zinc/14/29/64/1430142964.db2.gz CHDVZVNOZGCMFI-UHFFFAOYSA-N -1 1 397.236 3.433 20 30 GGEDMM N#Cc1csc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822842331 1430148221 /nfs/dbraw/zinc/14/82/21/1430148221.db2.gz CGTSFVWTXJKVPR-UHFFFAOYSA-N -1 1 376.401 3.240 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735507042 1430149368 /nfs/dbraw/zinc/14/93/68/1430149368.db2.gz ZBNFQRKEYDSAFQ-CYBMUJFWSA-N -1 1 393.476 3.440 20 30 GGEDMM N#Cc1ccc(CSCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826385090 1430166263 /nfs/dbraw/zinc/16/62/63/1430166263.db2.gz WVUVDWBJXMHWBL-UHFFFAOYSA-N -1 1 399.863 3.368 20 30 GGEDMM C=CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1cccnc1 ZINC000735448500 1430176456 /nfs/dbraw/zinc/17/64/56/1430176456.db2.gz KEBCXEMFSRVYOX-UHFFFAOYSA-N -1 1 394.439 3.138 20 30 GGEDMM Cc1nc(C(C)(C)C)sc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737467412 1430216260 /nfs/dbraw/zinc/21/62/60/1430216260.db2.gz DNCQQBMGILHQEB-SREVYHEPSA-N -1 1 393.476 3.473 20 30 GGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000181680679 1430340735 /nfs/dbraw/zinc/34/07/35/1430340735.db2.gz KPQRGLVOMRJNBG-UHFFFAOYSA-N -1 1 396.415 3.047 20 30 GGEDMM CC(C)(C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000181817365 1430366506 /nfs/dbraw/zinc/36/65/06/1430366506.db2.gz VOOMGEMPBHUAHI-UHFFFAOYSA-N -1 1 380.372 3.225 20 30 GGEDMM N#CC1CCN(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)CC1 ZINC000182829054 1430548849 /nfs/dbraw/zinc/54/88/49/1430548849.db2.gz MKRHFMIWJDATKG-UHFFFAOYSA-N -1 1 384.461 3.255 20 30 GGEDMM C=C(C)CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000183060186 1430602343 /nfs/dbraw/zinc/60/23/43/1430602343.db2.gz INCPEWHNOJKTIS-UHFFFAOYSA-N -1 1 380.416 3.414 20 30 GGEDMM CC[C@@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000183852033 1430804923 /nfs/dbraw/zinc/80/49/23/1430804923.db2.gz KRBGMFONHAHKST-ZDUSSCGKSA-N -1 1 393.415 3.188 20 30 GGEDMM CC[C@@H](C(=O)N1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1)c1ccccc1 ZINC000187804603 1431814472 /nfs/dbraw/zinc/81/44/72/1431814472.db2.gz CGPMCCXJAMOJPE-HXUWFJFHSA-N -1 1 391.471 3.178 20 30 GGEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000187931818 1431828746 /nfs/dbraw/zinc/82/87/46/1431828746.db2.gz LUXVFXICYUMSSU-UHFFFAOYSA-N -1 1 391.471 3.421 20 30 GGEDMM C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000187945821 1431830080 /nfs/dbraw/zinc/83/00/80/1431830080.db2.gz AREVIAIJAOEXPG-OAHLLOKOSA-N -1 1 392.459 3.011 20 30 GGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000188957445 1432016526 /nfs/dbraw/zinc/01/65/26/1432016526.db2.gz OZRSODRAMOIOPK-QVKFZJNVSA-N -1 1 380.444 3.319 20 30 GGEDMM COC(=O)[C@](C)(NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000189222196 1432065672 /nfs/dbraw/zinc/06/56/72/1432065672.db2.gz LRGJTYASQABCLS-GOSISDBHSA-N -1 1 393.226 3.389 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1[O-] ZINC000189881832 1432261473 /nfs/dbraw/zinc/26/14/73/1432261473.db2.gz FVPHDSBUDPGPBM-UHFFFAOYSA-N -1 1 389.377 3.241 20 30 GGEDMM Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1Cl ZINC000190732027 1432460103 /nfs/dbraw/zinc/46/01/03/1432460103.db2.gz BIVIBIVKOLYJTK-UHFFFAOYSA-N -1 1 398.850 3.216 20 30 GGEDMM C=CCN(CCOC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000191970519 1432771002 /nfs/dbraw/zinc/77/10/02/1432771002.db2.gz JGYWDFUVRDPDGF-UHFFFAOYSA-N -1 1 388.489 3.070 20 30 GGEDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)c(C)c1 ZINC000192128233 1432802703 /nfs/dbraw/zinc/80/27/03/1432802703.db2.gz FLMXQEPBCZIUEU-OAHLLOKOSA-N -1 1 392.502 3.098 20 30 GGEDMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000192129374 1432802937 /nfs/dbraw/zinc/80/29/37/1432802937.db2.gz RXOSQIFZGQGWHR-CQSZACIVSA-N -1 1 392.502 3.297 20 30 GGEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)cc2C[C@@H]1C ZINC000192584254 1432863000 /nfs/dbraw/zinc/86/30/00/1432863000.db2.gz BKJMFTFPFXQLPI-NSHDSACASA-N -1 1 389.864 3.310 20 30 GGEDMM CN1c2ccc(S(=O)(=O)[N-]c3ccccc3CC#N)c3cccc(c23)C1=O ZINC000193354734 1432984868 /nfs/dbraw/zinc/98/48/68/1432984868.db2.gz CRBBEHOQEJUEGT-UHFFFAOYSA-N -1 1 377.425 3.297 20 30 GGEDMM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)cc1 ZINC000193705481 1433044031 /nfs/dbraw/zinc/04/40/31/1433044031.db2.gz OONBZASHTUOXPL-LBPRGKRZSA-N -1 1 375.837 3.064 20 30 GGEDMM Cc1nc(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)s1 ZINC000193802609 1433062921 /nfs/dbraw/zinc/06/29/21/1433062921.db2.gz ZSTSAGWYGTYSJE-GFCCVEGCSA-N -1 1 398.513 3.356 20 30 GGEDMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000194639923 1433209703 /nfs/dbraw/zinc/20/97/03/1433209703.db2.gz RZQNDASXJXBJGZ-UHFFFAOYSA-N -1 1 397.378 3.080 20 30 GGEDMM O=C(NCC#Cc1ccccc1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000247372724 1433714856 /nfs/dbraw/zinc/71/48/56/1433714856.db2.gz HLKAAOCHDRHRAT-UHFFFAOYSA-N -1 1 390.464 3.269 20 30 GGEDMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000255391850 1433882100 /nfs/dbraw/zinc/88/21/00/1433882100.db2.gz RCARLNLRTLNWMS-QWUACUGRSA-N -1 1 384.819 3.371 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)c(=O)o1 ZINC000255549342 1433884890 /nfs/dbraw/zinc/88/48/90/1433884890.db2.gz OYIPRKODYGHEMJ-JPMGXVIASA-N -1 1 392.455 3.457 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)c(=O)o1 ZINC000255549346 1433884902 /nfs/dbraw/zinc/88/49/02/1433884902.db2.gz OYIPRKODYGHEMJ-PISNEZEASA-N -1 1 392.455 3.457 20 30 GGEDMM CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1 ZINC000255572766 1433885720 /nfs/dbraw/zinc/88/57/20/1433885720.db2.gz YVDXHHVAXWDOEK-WZUFQYTHSA-N -1 1 377.437 3.458 20 30 GGEDMM O=C1c2ccccc2S(=O)(=O)C/C1=C\c1ccc([O-])c(Br)c1 ZINC000255636066 1433887107 /nfs/dbraw/zinc/88/71/07/1433887107.db2.gz XOQQHUFEWBFYEH-YRNVUSSQSA-N -1 1 379.231 3.208 20 30 GGEDMM COc1cc(C(=O)/C=C\c2ccc([O-])c(F)c2)ccc1S(=O)(=O)C(F)F ZINC000255776470 1433889453 /nfs/dbraw/zinc/88/94/53/1433889453.db2.gz UBONCZQUSOZBDT-DJWKRKHSSA-N -1 1 386.347 3.432 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(CC#N)C3CC3)c2)c1 ZINC000263753134 1434029655 /nfs/dbraw/zinc/02/96/55/1434029655.db2.gz CICVGBYZLPUZJW-UHFFFAOYSA-N -1 1 383.473 3.232 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@H](C)CC#N)c2)cc1F ZINC000264009311 1434061600 /nfs/dbraw/zinc/06/16/00/1434061600.db2.gz ADFZNLDAARYXGZ-CQSZACIVSA-N -1 1 389.452 3.309 20 30 GGEDMM N#CCCN(CC1CC1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000264067685 1434068554 /nfs/dbraw/zinc/06/85/54/1434068554.db2.gz NCRPWWABMSRTQJ-UHFFFAOYSA-N -1 1 383.473 3.253 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@@H](C#N)C(C)C ZINC000264635231 1434137871 /nfs/dbraw/zinc/13/78/71/1434137871.db2.gz OUTXRABYCIEFKZ-SFHVURJKSA-N -1 1 389.452 3.213 20 30 GGEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)ccc1C ZINC000265469567 1434237304 /nfs/dbraw/zinc/23/73/04/1434237304.db2.gz XARWPCIMJKCCHG-UHFFFAOYSA-N -1 1 387.461 3.437 20 30 GGEDMM Cc1ccc(C(=O)N(CC#N)C2CC2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000268448480 1434523683 /nfs/dbraw/zinc/52/36/83/1434523683.db2.gz FMYCPZGSFDVPLR-UHFFFAOYSA-N -1 1 387.436 3.063 20 30 GGEDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(OC(C)C)c(C#N)c3)cc21 ZINC000269393315 1434637194 /nfs/dbraw/zinc/63/71/94/1434637194.db2.gz SNXPIZZMCFYCMT-UHFFFAOYSA-N -1 1 399.472 3.055 20 30 GGEDMM N#CCN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C1CCCC1 ZINC000271354481 1434818646 /nfs/dbraw/zinc/81/86/46/1434818646.db2.gz HYLPTSXIZFECOL-UHFFFAOYSA-N -1 1 385.342 3.411 20 30 GGEDMM CC1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000272520537 1434903587 /nfs/dbraw/zinc/90/35/87/1434903587.db2.gz LDUVMAVPFIQFQK-UHFFFAOYSA-N -1 1 383.473 3.253 20 30 GGEDMM C=CCN(CCc1ccco1)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000272703654 1434924285 /nfs/dbraw/zinc/92/42/85/1434924285.db2.gz ZGWGHENVIKSKQV-UHFFFAOYSA-N -1 1 392.459 3.336 20 30 GGEDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc1 ZINC000276573773 1435218366 /nfs/dbraw/zinc/21/83/66/1435218366.db2.gz SFAQKJXOINJDJU-CQSZACIVSA-N -1 1 392.502 3.298 20 30 GGEDMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)n1 ZINC000278592904 1435403411 /nfs/dbraw/zinc/40/34/11/1435403411.db2.gz HCLKUWASBVGIBB-NSHDSACASA-N -1 1 390.490 3.321 20 30 GGEDMM CC(C)OC(=O)NCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279816025 1435546822 /nfs/dbraw/zinc/54/68/22/1435546822.db2.gz APFQTQKEMHLUNO-UHFFFAOYSA-N -1 1 387.461 3.188 20 30 GGEDMM CC(C)(C)OC(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000279816021 1435546889 /nfs/dbraw/zinc/54/68/89/1435546889.db2.gz APBGHVCZSYLKDU-UHFFFAOYSA-N -1 1 386.473 3.438 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000279873940 1435556120 /nfs/dbraw/zinc/55/61/20/1435556120.db2.gz GPVBUMUTCUPXLS-UHFFFAOYSA-N -1 1 395.484 3.243 20 30 GGEDMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000279998663 1435574291 /nfs/dbraw/zinc/57/42/91/1435574291.db2.gz RUPRDBVJEVLFEA-UHFFFAOYSA-N -1 1 383.473 3.098 20 30 GGEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281189800 1435792446 /nfs/dbraw/zinc/79/24/46/1435792446.db2.gz BQKGRUYEKBBDID-UHFFFAOYSA-N -1 1 399.417 3.037 20 30 GGEDMM N#Cc1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(Cl)c1 ZINC000281962394 1435828816 /nfs/dbraw/zinc/82/88/16/1435828816.db2.gz NGMKXQFCEZICQJ-UHFFFAOYSA-N -1 1 388.777 3.134 20 30 GGEDMM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824206674 1441430677 /nfs/dbraw/zinc/43/06/77/1441430677.db2.gz GKUPNWMAZFOHGR-KRWDZBQOSA-N -1 1 396.838 3.434 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cnc(-c3ccncc3)s2)o1 ZINC000820108789 1441440557 /nfs/dbraw/zinc/44/05/57/1441440557.db2.gz SWSMFQWPCWIULK-UHFFFAOYSA-N -1 1 395.452 3.018 20 30 GGEDMM Cc1ccc(-c2csc([C@H](C#N)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)n2)cc1 ZINC000826273831 1441447302 /nfs/dbraw/zinc/44/73/02/1441447302.db2.gz WJMRRPROOQRMIF-CYBMUJFWSA-N -1 1 375.417 3.117 20 30 GGEDMM COc1ccc(C=NNc2ccc(OC(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737083601 1441451152 /nfs/dbraw/zinc/45/11/52/1441451152.db2.gz SDVOJJFRDVRNPD-UHFFFAOYSA-N -1 1 378.314 3.220 20 30 GGEDMM C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735387819 1441466812 /nfs/dbraw/zinc/46/68/12/1441466812.db2.gz HAUIWGIBEOWGBV-OAHLLOKOSA-N -1 1 376.416 3.116 20 30 GGEDMM C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498348 1441506458 /nfs/dbraw/zinc/50/64/58/1441506458.db2.gz FLOUANALYDPYRM-KBXCAEBGSA-N -1 1 375.436 3.272 20 30 GGEDMM Cc1nn(C)c(C)c1C(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)C(F)(F)F ZINC000826333136 1441514147 /nfs/dbraw/zinc/51/41/47/1441514147.db2.gz VQWKIEXYFPPTOD-UHFFFAOYSA-N -1 1 398.780 3.249 20 30 GGEDMM O=C1C(=Cc2cnn(Cc3ccccc3)c2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504951 1441520647 /nfs/dbraw/zinc/52/06/47/1441520647.db2.gz WDOBTYKKCJDIKD-ZDLGFXPLSA-N -1 1 382.427 3.324 20 30 GGEDMM O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826499866 1441521490 /nfs/dbraw/zinc/52/14/90/1441521490.db2.gz BNAKXOSLFIALKQ-INIZCTEOSA-N -1 1 391.435 3.263 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-n3ccnc3C)cc2)cc1-c1nnn[n-]1 ZINC000821787128 1441525360 /nfs/dbraw/zinc/52/53/60/1441525360.db2.gz OOAATIDYVUMTOZ-OQFOIZHKSA-N -1 1 386.415 3.266 20 30 GGEDMM FC(F)(F)COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826368001 1441529747 /nfs/dbraw/zinc/52/97/47/1441529747.db2.gz XYEWDVWNLLSKMZ-UHFFFAOYSA-N -1 1 397.748 3.302 20 30 GGEDMM CCCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1-c1ccccc1 ZINC000825348400 1441568188 /nfs/dbraw/zinc/56/81/88/1441568188.db2.gz IXJANOWUJPBKHV-UHFFFAOYSA-N -1 1 398.430 3.129 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cc(Oc3ccccc3)ccn2)cc1-c1nn[n-]n1 ZINC000822829807 1441583571 /nfs/dbraw/zinc/58/35/71/1441583571.db2.gz KGUTVIBXFMWYSI-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1 ZINC000822145587 1441605193 /nfs/dbraw/zinc/60/51/93/1441605193.db2.gz RUNSPINKFSXYSB-UHFFFAOYSA-N -1 1 397.398 3.486 20 30 GGEDMM N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822823603 1441616926 /nfs/dbraw/zinc/61/69/26/1441616926.db2.gz UCKMHUCZNGRPKM-UHFFFAOYSA-N -1 1 387.153 3.201 20 30 GGEDMM CC(C)CN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081734 1441655117 /nfs/dbraw/zinc/65/51/17/1441655117.db2.gz SYJMMSDFIFEKRH-UHFFFAOYSA-N -1 1 382.374 3.319 20 30 GGEDMM COc1cc(-c2nnn[n-]2)cc(Br)c1OCc1cccc(C#N)c1 ZINC000826166996 1441668088 /nfs/dbraw/zinc/66/80/88/1441668088.db2.gz LFXFZKAAPUUPJU-UHFFFAOYSA-N -1 1 386.209 3.088 20 30 GGEDMM Cc1nnc(SCc2ccc(C#N)cc2OC(F)F)c(-c2nnn[n-]2)c1C ZINC000826337278 1441692868 /nfs/dbraw/zinc/69/28/68/1441692868.db2.gz IWFHYGPQSGASPO-UHFFFAOYSA-N -1 1 389.391 3.039 20 30 GGEDMM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2nccnc2C#N)cc1 ZINC000737033051 1441703008 /nfs/dbraw/zinc/70/30/08/1441703008.db2.gz SNLCBHJUHVHIKK-UHFFFAOYSA-N -1 1 386.375 3.073 20 30 GGEDMM COc1cc2c(cc1C=C1CCc3cc(-c4nnn[n-]4)ccc3C1=O)O[C@H](C)C2 ZINC000821728368 1441739944 /nfs/dbraw/zinc/73/99/44/1441739944.db2.gz VGAWPEYLDWAEJP-OJLMPMFISA-N -1 1 388.427 3.411 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccc(C#N)cc1 ZINC000822015789 1441743263 /nfs/dbraw/zinc/74/32/63/1441743263.db2.gz ORAJQQFYNDUPDH-RMKNXTFCSA-N -1 1 399.389 3.268 20 30 GGEDMM Cc1ccc(C#N)cc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826281177 1441752652 /nfs/dbraw/zinc/75/26/52/1441752652.db2.gz HLFJKTQVMOSART-UHFFFAOYSA-N -1 1 385.431 3.368 20 30 GGEDMM COc1ccc(Cl)cc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737097806 1441764464 /nfs/dbraw/zinc/76/44/64/1441764464.db2.gz LZLFOOMEYOXNHU-FNORWQNLSA-N -1 1 383.839 3.481 20 30 GGEDMM Cc1cc(Br)cn2c(C=NNc3ccc(-c4nnn[n-]4)cc3)cnc12 ZINC000826256609 1441786827 /nfs/dbraw/zinc/78/68/27/1441786827.db2.gz RJFBFOUIGYAFKW-UHFFFAOYSA-N -1 1 397.240 3.031 20 30 GGEDMM COc1ccc(CON=Cc2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000826207067 1441787226 /nfs/dbraw/zinc/78/72/26/1441787226.db2.gz YUTSCHILPUMTIY-UHFFFAOYSA-N -1 1 388.225 3.189 20 30 GGEDMM C[C@@H](NC(=O)Nc1ccccc1O[C@@H](C)C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824034791 1441816473 /nfs/dbraw/zinc/81/64/73/1441816473.db2.gz PFXQFCSVAMELOL-QWHCGFSZSA-N -1 1 377.408 3.040 20 30 GGEDMM Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000737288990 1441851083 /nfs/dbraw/zinc/85/10/83/1441851083.db2.gz RLEIULQEHORJAL-CQSZACIVSA-N -1 1 387.428 3.184 20 30 GGEDMM Clc1ccc(C#CCN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000822574746 1441852856 /nfs/dbraw/zinc/85/28/56/1441852856.db2.gz YIDHVBXIAJSYAG-UHFFFAOYSA-N -1 1 393.878 3.415 20 30 GGEDMM CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735756452 1441856759 /nfs/dbraw/zinc/85/67/59/1441856759.db2.gz OLDCSVAPXBIZTI-FQEVSTJZSA-N -1 1 391.435 3.112 20 30 GGEDMM COc1ccc2c(c1)C(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)CCCO2 ZINC000821849817 1441879602 /nfs/dbraw/zinc/87/96/02/1441879602.db2.gz RMBCKRYMFZZPPK-UHFFFAOYSA-N -1 1 397.439 3.150 20 30 GGEDMM N#C[C@@H](C(=O)[C@H]1CCCCS1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379666 1441892238 /nfs/dbraw/zinc/89/22/38/1441892238.db2.gz YMCRPBQMSLOKLI-DZGCQCFKSA-N -1 1 396.501 3.452 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820001400 1441920117 /nfs/dbraw/zinc/92/01/17/1441920117.db2.gz KYONLCRJDLXUEI-UHFFFAOYSA-N -1 1 382.811 3.188 20 30 GGEDMM N#Cc1cc(Br)ccc1Oc1snc(Cl)c1-c1nnn[n-]1 ZINC000826383697 1441975199 /nfs/dbraw/zinc/97/51/99/1441975199.db2.gz MGHIBFJPEGITKJ-UHFFFAOYSA-N -1 1 383.618 3.403 20 30 GGEDMM C=CCc1cc(CNCc2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000819759396 1441981204 /nfs/dbraw/zinc/98/12/04/1441981204.db2.gz WFXFIBCFMBNKBP-UHFFFAOYSA-N -1 1 383.427 3.041 20 30 GGEDMM N#CCn1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc2ccccc21 ZINC000822814874 1442043574 /nfs/dbraw/zinc/04/35/74/1442043574.db2.gz KGMJGEHEMJOAQN-UHFFFAOYSA-N -1 1 377.795 3.251 20 30 GGEDMM Cc1c(C(=O)C=Cc2coc(-c3ccccc3)n2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016337 1442044271 /nfs/dbraw/zinc/04/42/71/1442044271.db2.gz XUMKRLOKZLLAFQ-KTKRTIGZSA-N -1 1 386.415 3.474 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822801867 1442056960 /nfs/dbraw/zinc/05/69/60/1442056960.db2.gz PTAZDYDIUXRBNJ-PVAZVXKLSA-N -1 1 384.443 3.178 20 30 GGEDMM CC(C)CO[C@H]1CC(N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC000735839355 1442082651 /nfs/dbraw/zinc/08/26/51/1442082651.db2.gz QLDNHPIUJBEJHQ-ZDUSSCGKSA-N -1 1 375.477 3.292 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)c1c(C)noc1C ZINC000823909383 1442084890 /nfs/dbraw/zinc/08/48/90/1442084890.db2.gz AZYJXZIRRSEKKB-ZDUSSCGKSA-N -1 1 380.452 3.180 20 30 GGEDMM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccc(Cl)cc1 ZINC000823060565 1442133571 /nfs/dbraw/zinc/13/35/71/1442133571.db2.gz GZIOOITUNYNQRD-UHFFFAOYSA-N -1 1 398.875 3.348 20 30 GGEDMM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737463686 1442143614 /nfs/dbraw/zinc/14/36/14/1442143614.db2.gz ZIRAPRVKHREBJZ-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccccc1C(C)(C)C#N ZINC000820550630 1442147201 /nfs/dbraw/zinc/14/72/01/1442147201.db2.gz YAKRNKCUNBAQDH-AWEZNQCLSA-N -1 1 391.431 3.179 20 30 GGEDMM COCCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821693701 1442178428 /nfs/dbraw/zinc/17/84/28/1442178428.db2.gz JYHUNVYWRQZYLW-WJDWOHSUSA-N -1 1 376.416 3.104 20 30 GGEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)cc1 ZINC000737721012 1442182757 /nfs/dbraw/zinc/18/27/57/1442182757.db2.gz FNFACVGRJQSQCK-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000735418613 1442207580 /nfs/dbraw/zinc/20/75/80/1442207580.db2.gz FZBLKNFGHAAVJW-IRXDYDNUSA-N -1 1 395.413 3.463 20 30 GGEDMM C=CCCO[C@@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735415921 1442214942 /nfs/dbraw/zinc/21/49/42/1442214942.db2.gz ASNKGLSSMHXVAN-HNNXBMFYSA-N -1 1 393.447 3.365 20 30 GGEDMM CCOC(=O)CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821330384 1442216220 /nfs/dbraw/zinc/21/62/20/1442216220.db2.gz JZBDRTOTXSAMEN-VQHVLOKHSA-N -1 1 398.444 3.156 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000820164045 1442224595 /nfs/dbraw/zinc/22/45/95/1442224595.db2.gz BGNGIUIAOQOVLN-CYBMUJFWSA-N -1 1 391.435 3.408 20 30 GGEDMM N#C[C@H](C(=O)Cc1ccco1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379189 1442235549 /nfs/dbraw/zinc/23/55/49/1442235549.db2.gz LJMUZGRYCKQBHH-CQSZACIVSA-N -1 1 376.401 3.002 20 30 GGEDMM C=CCC[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819734191 1442237495 /nfs/dbraw/zinc/23/74/95/1442237495.db2.gz JVAUOOMVJCFXBY-YJBOKZPZSA-N -1 1 377.448 3.458 20 30 GGEDMM CCc1cnccc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825736101 1442240889 /nfs/dbraw/zinc/24/08/89/1442240889.db2.gz VTNOARRMFFOGMT-HJWRWDBZSA-N -1 1 385.431 3.121 20 30 GGEDMM N#Cc1cnc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)s1 ZINC000822842512 1442253014 /nfs/dbraw/zinc/25/30/14/1442253014.db2.gz LTVJKDKHCAJNHY-UHFFFAOYSA-N -1 1 389.400 3.239 20 30 GGEDMM FC(F)(F)CON=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822718526 1442259623 /nfs/dbraw/zinc/25/96/23/1442259623.db2.gz LRILZUIWRGQLQL-UHFFFAOYSA-N -1 1 377.326 3.359 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NC(CC2CCCCC2)c2ncccn2)n1 ZINC000826350018 1442267385 /nfs/dbraw/zinc/26/73/85/1442267385.db2.gz FCRSGFCNWMYGRI-UHFFFAOYSA-N -1 1 397.874 3.492 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736314767 1442276480 /nfs/dbraw/zinc/27/64/80/1442276480.db2.gz UFMKHGOHFONZJG-IBGZPJMESA-N -1 1 380.383 3.220 20 30 GGEDMM CC(C)(C)O[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000824119885 1442313927 /nfs/dbraw/zinc/31/39/27/1442313927.db2.gz SBEYSRKUCFVYCV-KRWDZBQOSA-N -1 1 376.420 3.233 20 30 GGEDMM FC(F)(F)c1csc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC000822727912 1442317557 /nfs/dbraw/zinc/31/75/57/1442317557.db2.gz BMKSSQBGFSDQNC-UHFFFAOYSA-N -1 1 379.371 3.495 20 30 GGEDMM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCC#Cc1ccc(F)cc1 ZINC000822955469 1442364571 /nfs/dbraw/zinc/36/45/71/1442364571.db2.gz WBXSABIDGOATCP-UHFFFAOYSA-N -1 1 394.406 3.150 20 30 GGEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000824035213 1442381378 /nfs/dbraw/zinc/38/13/78/1442381378.db2.gz UIZLQNIRYWWTLO-ZDUSSCGKSA-N -1 1 394.460 3.029 20 30 GGEDMM N#Cc1ccc(SCC(=O)Nc2sccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826386003 1442408050 /nfs/dbraw/zinc/40/80/50/1442408050.db2.gz LATARJCRIQASEK-UHFFFAOYSA-N -1 1 376.854 3.184 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(CCOCC)CCCC1 ZINC000819744166 1442409921 /nfs/dbraw/zinc/40/99/21/1442409921.db2.gz YRUPQZGMXCUPOJ-UHFFFAOYSA-N -1 1 383.496 3.368 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H](C#N)C1CCCCC1 ZINC000826175326 1442419252 /nfs/dbraw/zinc/41/92/52/1442419252.db2.gz ATQLDWNFAWUOTC-SFHVURJKSA-N -1 1 399.451 3.050 20 30 GGEDMM N#C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000737674239 1442431505 /nfs/dbraw/zinc/43/15/05/1442431505.db2.gz HEXDMMJPGYNEQZ-HNNXBMFYSA-N -1 1 387.230 3.097 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CNc1cccc(Cl)c1 ZINC000735419925 1442450450 /nfs/dbraw/zinc/45/04/50/1442450450.db2.gz KJLKFFZPQRGDAR-UHFFFAOYSA-N -1 1 382.855 3.147 20 30 GGEDMM Clc1ccc(CSc2nncn2N=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826351843 1442456083 /nfs/dbraw/zinc/45/60/83/1442456083.db2.gz CWMQNNDYMJHKSL-UHFFFAOYSA-N -1 1 396.867 3.286 20 30 GGEDMM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)cc1OC(F)F ZINC000821412856 1443097743 /nfs/dbraw/zinc/09/77/43/1443097743.db2.gz SJOKFQBFXGCXDU-UHFFFAOYSA-N -1 1 386.362 3.351 20 30 GGEDMM O=C(C=Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402851 1443122975 /nfs/dbraw/zinc/12/29/75/1443122975.db2.gz DLXWMRPRTAOVNP-YVMONPNESA-N -1 1 395.785 3.136 20 30 GGEDMM C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824962127 1443358883 /nfs/dbraw/zinc/35/88/83/1443358883.db2.gz OMPHKTUUKKYAGO-CYBMUJFWSA-N -1 1 396.886 3.225 20 30 GGEDMM C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824962127 1443358887 /nfs/dbraw/zinc/35/88/87/1443358887.db2.gz OMPHKTUUKKYAGO-CYBMUJFWSA-N -1 1 396.886 3.225 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(C#N)s2)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822016359 1443417533 /nfs/dbraw/zinc/41/75/33/1443417533.db2.gz YMNFUOBFJIDRGM-CMDGGOBGSA-N -1 1 387.428 3.190 20 30 GGEDMM N#C[C@H](COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000822801749 1443423928 /nfs/dbraw/zinc/42/39/28/1443423928.db2.gz NVTMBGZXCORJQN-QGZVFWFLSA-N -1 1 393.472 3.026 20 30 GGEDMM C#Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000823861547 1443459154 /nfs/dbraw/zinc/45/91/54/1443459154.db2.gz MZYBAXDDIYTGSN-OAHLLOKOSA-N -1 1 394.438 3.401 20 30 GGEDMM CCc1ccc(C=NOCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821482502 1443468497 /nfs/dbraw/zinc/46/84/97/1443468497.db2.gz RZBFWFUAIMHOPE-UHFFFAOYSA-N -1 1 375.392 3.030 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccc(C3SCCS3)cc2)cc1-c1nnn[n-]1 ZINC000737718315 1443483822 /nfs/dbraw/zinc/48/38/22/1443483822.db2.gz HQWRFYXSKHLGIF-UHFFFAOYSA-N -1 1 394.485 3.469 20 30 GGEDMM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(N2CCCC2)cc1O ZINC000823958643 1443528011 /nfs/dbraw/zinc/52/80/11/1443528011.db2.gz UNJSHTDRFIAGLZ-UHFFFAOYSA-N -1 1 398.858 3.057 20 30 GGEDMM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(N2CCCC2)cc1O ZINC000823958643 1443528014 /nfs/dbraw/zinc/52/80/14/1443528014.db2.gz UNJSHTDRFIAGLZ-UHFFFAOYSA-N -1 1 398.858 3.057 20 30 GGEDMM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(N2CCCC2)cc1O ZINC000823958643 1443528015 /nfs/dbraw/zinc/52/80/15/1443528015.db2.gz UNJSHTDRFIAGLZ-UHFFFAOYSA-N -1 1 398.858 3.057 20 30 GGEDMM C=CCCO[C@@H](C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735416670 1443551636 /nfs/dbraw/zinc/55/16/36/1443551636.db2.gz OHAXWYZGZPAZRZ-ZDUSSCGKSA-N -1 1 383.477 3.193 20 30 GGEDMM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1ccc(C#N)cn1 ZINC000737281431 1443557915 /nfs/dbraw/zinc/55/79/15/1443557915.db2.gz YPFPERBMQALLDI-UHFFFAOYSA-N -1 1 397.398 3.486 20 30 GGEDMM CC(C)C[C@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735758275 1443569499 /nfs/dbraw/zinc/56/94/99/1443569499.db2.gz ZCGALDTZNLSSST-MRXNPFEDSA-N -1 1 376.420 3.327 20 30 GGEDMM N#Cc1ccccc1-c1ccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000826387167 1443574345 /nfs/dbraw/zinc/57/43/45/1443574345.db2.gz JCEOEBDXFIULOV-UHFFFAOYSA-N -1 1 398.386 3.321 20 30 GGEDMM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(OC)c(OC)c1 ZINC000825028398 1443581555 /nfs/dbraw/zinc/58/15/55/1443581555.db2.gz HWXREUYZPLVFGR-UHFFFAOYSA-N -1 1 387.831 3.159 20 30 GGEDMM CCC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(OC)c(OC)c1 ZINC000825028398 1443581559 /nfs/dbraw/zinc/58/15/59/1443581559.db2.gz HWXREUYZPLVFGR-UHFFFAOYSA-N -1 1 387.831 3.159 20 30 GGEDMM CC(=NNCc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953623 1443591646 /nfs/dbraw/zinc/59/16/46/1443591646.db2.gz JEJLIRRSDVVQSK-UHFFFAOYSA-N -1 1 377.271 3.205 20 30 GGEDMM COc1ccc(CON=Cc2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826206655 1443615745 /nfs/dbraw/zinc/61/57/45/1443615745.db2.gz FVZKJGNRHKUETK-UHFFFAOYSA-N -1 1 377.326 3.445 20 30 GGEDMM N#Cc1ccc(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000737717553 1443620673 /nfs/dbraw/zinc/62/06/73/1443620673.db2.gz FQXPLQHVQBNFNF-UHFFFAOYSA-N -1 1 387.831 3.017 20 30 GGEDMM COc1ccc(-c2cncc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2)cc1 ZINC000821732770 1443628914 /nfs/dbraw/zinc/62/89/14/1443628914.db2.gz TYSVAFWOSDCCAG-UHFFFAOYSA-N -1 1 397.398 3.061 20 30 GGEDMM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000822649902 1443671991 /nfs/dbraw/zinc/67/19/91/1443671991.db2.gz MLBVZIHVOOICKR-UHFFFAOYSA-N -1 1 385.387 3.121 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000820486990 1443692307 /nfs/dbraw/zinc/69/23/07/1443692307.db2.gz DSDDUZOMTDVHAS-AUUYWEPGSA-N -1 1 391.431 3.446 20 30 GGEDMM N#Cc1ccsc1C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826387595 1443702907 /nfs/dbraw/zinc/70/29/07/1443702907.db2.gz FHFPFRUWOOHJOZ-UHFFFAOYSA-N -1 1 386.440 3.397 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000735418455 1443753640 /nfs/dbraw/zinc/75/36/40/1443753640.db2.gz DXBAPUMTNDKJCL-HOTGVXAUSA-N -1 1 395.413 3.463 20 30 GGEDMM Cc1ccc(N(CCC#N)C(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737347010 1443779199 /nfs/dbraw/zinc/77/91/99/1443779199.db2.gz KKHRLHZUYSZAKO-UHFFFAOYSA-N -1 1 378.461 3.214 20 30 GGEDMM COc1cc(-c2ccccc2)ccc1CN=Nc1oc(C)nc1-c1nnn[n-]1 ZINC000826166957 1443787102 /nfs/dbraw/zinc/78/71/02/1443787102.db2.gz JEVPZHINVXYFBH-UHFFFAOYSA-N -1 1 375.392 3.285 20 30 GGEDMM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1-c1nnn[n-]1 ZINC000736669762 1443810553 /nfs/dbraw/zinc/81/05/53/1443810553.db2.gz JUEDEXWJIXEKMF-SNVBAGLBSA-N -1 1 382.449 3.077 20 30 GGEDMM COc1ccc2c(c1)C(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)CCCO2 ZINC000821849311 1443816838 /nfs/dbraw/zinc/81/68/38/1443816838.db2.gz CTLWGEORKVWLTK-UHFFFAOYSA-N -1 1 397.439 3.051 20 30 GGEDMM C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488872 1443825086 /nfs/dbraw/zinc/82/50/86/1443825086.db2.gz VVOITYMBPQGHRQ-LIRRHRJNSA-N -1 1 388.431 3.012 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000735421418 1443826652 /nfs/dbraw/zinc/82/66/52/1443826652.db2.gz ZCPWFCKHZRNDAH-LJQANCHMSA-N -1 1 388.475 3.294 20 30 GGEDMM C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1cccc(C)c1 ZINC000823937262 1443830000 /nfs/dbraw/zinc/83/00/00/1443830000.db2.gz OSAQCPWTFRPOMP-UHFFFAOYSA-N -1 1 390.476 3.307 20 30 GGEDMM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000737202141 1443833169 /nfs/dbraw/zinc/83/31/69/1443833169.db2.gz KPVAKMJWRAWNFF-VOTSOKGWSA-N -1 1 394.347 3.196 20 30 GGEDMM COc1cc(CN(C)[C@@H](C)CC#N)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821712105 1443835123 /nfs/dbraw/zinc/83/51/23/1443835123.db2.gz CPRWOOBBGALMHH-HNNXBMFYSA-N -1 1 392.463 3.188 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc3c(c2)COC3)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359619 1443844146 /nfs/dbraw/zinc/84/41/46/1443844146.db2.gz MBJXCYFQSJIVNQ-HJWRWDBZSA-N -1 1 398.426 3.194 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1COc2ccc(C)cc21 ZINC000819744175 1443860368 /nfs/dbraw/zinc/86/03/68/1443860368.db2.gz ZBFKRGQSEXWYKK-SFHVURJKSA-N -1 1 390.447 3.006 20 30 GGEDMM COC(=O)CCCC[C@H](C)C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000821660052 1443867139 /nfs/dbraw/zinc/86/71/39/1443867139.db2.gz DPCAVNKWTYKJGS-NSHDSACASA-N -1 1 377.449 3.135 20 30 GGEDMM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820220234 1443886845 /nfs/dbraw/zinc/88/68/45/1443886845.db2.gz PDCRNUIYGSCKGP-ZDUSSCGKSA-N -1 1 377.408 3.425 20 30 GGEDMM N#Cc1cc(CNc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)ccn1 ZINC000826383617 1443890122 /nfs/dbraw/zinc/89/01/22/1443890122.db2.gz IYHIQGWFEQQFRO-UHFFFAOYSA-N -1 1 383.415 3.324 20 30 GGEDMM N#Cc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c(F)c1 ZINC000826385131 1443901384 /nfs/dbraw/zinc/90/13/84/1443901384.db2.gz YMCIMEXDQFWPPB-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM Clc1cccc(C#CCN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000826353528 1443903712 /nfs/dbraw/zinc/90/37/12/1443903712.db2.gz SXEUXYPPAKNUPM-UHFFFAOYSA-N -1 1 392.894 3.084 20 30 GGEDMM Clc1cccc(C#CCN2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000826353528 1443903715 /nfs/dbraw/zinc/90/37/15/1443903715.db2.gz SXEUXYPPAKNUPM-UHFFFAOYSA-N -1 1 392.894 3.084 20 30 GGEDMM CC(C)[C@@](C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735691343 1443941206 /nfs/dbraw/zinc/94/12/06/1443941206.db2.gz PGPMKAOGXOGIOI-OAQYLSRUSA-N -1 1 390.447 3.114 20 30 GGEDMM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821334564 1443945856 /nfs/dbraw/zinc/94/58/56/1443945856.db2.gz ODPCBLUGKYFNSI-KTKRTIGZSA-N -1 1 380.379 3.008 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sccc1OC(F)F ZINC000735420729 1443953145 /nfs/dbraw/zinc/95/31/45/1443953145.db2.gz RHAOVKQSVABEMQ-UHFFFAOYSA-N -1 1 391.403 3.358 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000819744057 1443954020 /nfs/dbraw/zinc/95/40/20/1443954020.db2.gz UUZGNPGUCJVRSJ-OAHLLOKOSA-N -1 1 387.447 3.197 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1nnn[n-]1 ZINC000821786608 1443982487 /nfs/dbraw/zinc/98/24/87/1443982487.db2.gz GNMIMYOZWSSKMD-YWEYNIOJSA-N -1 1 389.415 3.001 20 30 GGEDMM N#C[C@H](COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000826379066 1443982687 /nfs/dbraw/zinc/98/26/87/1443982687.db2.gz IHSFFBGHQYVGDX-CQSZACIVSA-N -1 1 399.501 3.087 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1Cc2cc(C)c(C)cc2O1 ZINC000819743188 1443983162 /nfs/dbraw/zinc/98/31/62/1443983162.db2.gz FGIRROKEMGISKL-HXUWFJFHSA-N -1 1 389.459 3.002 20 30 GGEDMM C[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820498181 1443990037 /nfs/dbraw/zinc/99/00/37/1443990037.db2.gz ZBBCSECLITXTAK-ZDUSSCGKSA-N -1 1 379.445 3.276 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cn(C)nc1-c1ccccc1 ZINC000823914155 1443993569 /nfs/dbraw/zinc/99/35/69/1443993569.db2.gz BSGVXEZOQYQDLR-UHFFFAOYSA-N -1 1 399.458 3.096 20 30 GGEDMM C=CCCC[C@@H](C)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823894093 1444001321 /nfs/dbraw/zinc/00/13/21/1444001321.db2.gz HGZCDBAKVICNSS-GFCCVEGCSA-N -1 1 387.444 3.301 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(OCc3ccc(F)cc3)cc2)o1 ZINC000822424223 1444023551 /nfs/dbraw/zinc/02/35/51/1444023551.db2.gz UPZDFOYOZXOSQD-UHFFFAOYSA-N -1 1 393.382 3.327 20 30 GGEDMM CC(C)(C#N)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000824059112 1446125290 /nfs/dbraw/zinc/12/52/90/1446125290.db2.gz MXABCTCKCZCQJV-UHFFFAOYSA-N -1 1 395.398 3.469 20 30 GGEDMM N#Cc1ccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737718191 1446139852 /nfs/dbraw/zinc/13/98/52/1446139852.db2.gz LHTLOPLMRRZMMN-UHFFFAOYSA-N -1 1 377.404 3.031 20 30 GGEDMM CCCOc1ccc2c(c1)C(=NNc1cc(-c3nn[n-]n3)cc(Cl)n1)CCO2 ZINC000825341468 1446152192 /nfs/dbraw/zinc/15/21/92/1446152192.db2.gz FAWFPCSXQJKXNJ-UHFFFAOYSA-N -1 1 399.842 3.303 20 30 GGEDMM CCCOc1ccc2c(c1)C(=NNc1cc(-c3nnn[n-]3)cc(Cl)n1)CCO2 ZINC000825341468 1446152194 /nfs/dbraw/zinc/15/21/94/1446152194.db2.gz FAWFPCSXQJKXNJ-UHFFFAOYSA-N -1 1 399.842 3.303 20 30 GGEDMM CCCOc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCO2 ZINC000825341468 1446152198 /nfs/dbraw/zinc/15/21/98/1446152198.db2.gz FAWFPCSXQJKXNJ-UHFFFAOYSA-N -1 1 399.842 3.303 20 30 GGEDMM N#Cc1ccc(-c2cccc(CNC(=O)c3cc(-c4nnn[n-]4)cs3)c2)s1 ZINC000822823109 1446173750 /nfs/dbraw/zinc/17/37/50/1446173750.db2.gz LDSJVRFBXITHQC-UHFFFAOYSA-N -1 1 392.469 3.458 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cnn1-c1ccc(C#N)cc1 ZINC000826234464 1446225344 /nfs/dbraw/zinc/22/53/44/1446225344.db2.gz XSODYVVSLAUSFE-WEVVVXLNSA-N -1 1 399.389 3.268 20 30 GGEDMM CC(C)[C@](C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735690112 1446284524 /nfs/dbraw/zinc/28/45/24/1446284524.db2.gz HCOKJLQXFJMJNA-NRFANRHFSA-N -1 1 390.447 3.114 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000819759137 1446291497 /nfs/dbraw/zinc/29/14/97/1446291497.db2.gz OWEZSHOQYNFOGG-UITAMQMPSA-N -1 1 396.378 3.198 20 30 GGEDMM Cc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(Br)c1 ZINC000826286027 1446316245 /nfs/dbraw/zinc/31/62/45/1446316245.db2.gz QHKCVMYNADRWRG-UHFFFAOYSA-N -1 1 392.648 3.432 20 30 GGEDMM Cc1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c(Br)c1 ZINC000826286027 1446316249 /nfs/dbraw/zinc/31/62/49/1446316249.db2.gz QHKCVMYNADRWRG-UHFFFAOYSA-N -1 1 392.648 3.432 20 30 GGEDMM Cc1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c(Br)c1 ZINC000826286027 1446316254 /nfs/dbraw/zinc/31/62/54/1446316254.db2.gz QHKCVMYNADRWRG-UHFFFAOYSA-N -1 1 392.648 3.432 20 30 GGEDMM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000735435876 1446336095 /nfs/dbraw/zinc/33/60/95/1446336095.db2.gz ANVGXOZSQUKBDE-UHFFFAOYSA-N -1 1 390.325 3.098 20 30 GGEDMM CCOC(=O)C(F)(F)[C@@H]1CCC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000825494141 1446360155 /nfs/dbraw/zinc/36/01/55/1446360155.db2.gz UDSYWSBHEIPAAP-SECBINFHSA-N -1 1 398.801 3.287 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(F)cc3cccnc32)o1 ZINC000819966224 1446371934 /nfs/dbraw/zinc/37/19/34/1446371934.db2.gz ZCPMOTWIBLIXSH-UHFFFAOYSA-N -1 1 380.387 3.286 20 30 GGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)c1)O[C@H](C)C2 ZINC000826178875 1446372967 /nfs/dbraw/zinc/37/29/67/1446372967.db2.gz PKSQSINZGWLJEC-DUMNWFOQSA-N -1 1 380.379 3.234 20 30 GGEDMM Cc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1OC(F)F ZINC000826297500 1446403242 /nfs/dbraw/zinc/40/32/42/1446403242.db2.gz KDMRCUJRZKDWMJ-UHFFFAOYSA-N -1 1 379.758 3.271 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCCCC#N)cc1 ZINC000822144475 1446421093 /nfs/dbraw/zinc/42/10/93/1446421093.db2.gz MKRCHHKHLQTFHM-UHFFFAOYSA-N -1 1 376.420 3.391 20 30 GGEDMM Cc1cc(C(=O)NCc2cccc(C#N)c2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236666 1446423549 /nfs/dbraw/zinc/42/35/49/1446423549.db2.gz QFZAYNZNHVVSEQ-UHFFFAOYSA-N -1 1 397.442 3.076 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C#N ZINC000820169207 1446453962 /nfs/dbraw/zinc/45/39/62/1446453962.db2.gz HYNWNIOJJONJRS-UHFFFAOYSA-N -1 1 384.346 3.056 20 30 GGEDMM C[C@H](NC(=O)NCC(C)(C)C#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499060 1446455924 /nfs/dbraw/zinc/45/59/24/1446455924.db2.gz NEVXYJJHVXQECG-AWEZNQCLSA-N -1 1 389.463 3.444 20 30 GGEDMM C=CCN(CC=C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735419623 1446474764 /nfs/dbraw/zinc/47/47/64/1446474764.db2.gz YEYLAPJCCRDJCL-UHFFFAOYSA-N -1 1 380.477 3.479 20 30 GGEDMM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000825576581 1446490687 /nfs/dbraw/zinc/49/06/87/1446490687.db2.gz KZOAKLRQFOUAMM-WQLSENKSSA-N -1 1 396.378 3.296 20 30 GGEDMM C[C@@H](NC(=O)c1ccc(C#N)nc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824516579 1446523633 /nfs/dbraw/zinc/52/36/33/1446523633.db2.gz YEEWZMBYFIWNLA-CQSZACIVSA-N -1 1 395.426 3.291 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1ccc(OC)cc1 ZINC000735419003 1446571056 /nfs/dbraw/zinc/57/10/56/1446571056.db2.gz ODGPXMCAWMMDIX-OAHLLOKOSA-N -1 1 377.448 3.194 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCC(OC(C)C)CC1 ZINC000823909655 1446586189 /nfs/dbraw/zinc/58/61/89/1446586189.db2.gz MOIXHSOBVBKMFO-UHFFFAOYSA-N -1 1 398.511 3.301 20 30 GGEDMM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000824148268 1446591642 /nfs/dbraw/zinc/59/16/42/1446591642.db2.gz QMKOZLBBJQXMOF-UHFFFAOYSA-N -1 1 375.436 3.231 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000820164340 1446610239 /nfs/dbraw/zinc/61/02/39/1446610239.db2.gz ICMMXLXMDYAQKH-CYBMUJFWSA-N -1 1 391.435 3.408 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000824173418 1446610620 /nfs/dbraw/zinc/61/06/20/1446610620.db2.gz YHYZEXGCZNFWQT-INIZCTEOSA-N -1 1 396.838 3.059 20 30 GGEDMM C#CCN(CC)C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000823846033 1446632371 /nfs/dbraw/zinc/63/23/71/1446632371.db2.gz XXMCKKMTWHNDAW-UHFFFAOYSA-N -1 1 377.473 3.254 20 30 GGEDMM N#Cc1cc(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)ccn1 ZINC000822818804 1446646690 /nfs/dbraw/zinc/64/66/90/1446646690.db2.gz GAVXGHNROBFUJW-UHFFFAOYSA-N -1 1 382.383 3.157 20 30 GGEDMM Cc1ccc(-c2nc(C=NNc3cc(-c4nnn[n-]4)cc(Cl)n3)co2)cc1 ZINC000826273494 1446685617 /nfs/dbraw/zinc/68/56/17/1446685617.db2.gz GZTDCOPNSDLFIX-UHFFFAOYSA-N -1 1 380.799 3.325 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(Br)s1 ZINC000822176251 1446687276 /nfs/dbraw/zinc/68/72/76/1446687276.db2.gz HOIHSSULKZHBFI-UHFFFAOYSA-N -1 1 389.238 3.123 20 30 GGEDMM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000736669425 1446756404 /nfs/dbraw/zinc/75/64/04/1446756404.db2.gz HNBPXCQKPVOMGT-JTQLQIEISA-N -1 1 382.449 3.077 20 30 GGEDMM C=C(C)COc1cccc(N[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819722385 1446774263 /nfs/dbraw/zinc/77/42/63/1446774263.db2.gz IDARNDMYUGGTFD-GOSISDBHSA-N -1 1 379.420 3.148 20 30 GGEDMM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737463619 1446798145 /nfs/dbraw/zinc/79/81/45/1446798145.db2.gz WNIGOPUKTOHFPP-UHFFFAOYSA-N -1 1 381.399 3.361 20 30 GGEDMM N#Cc1cc(NC(=O)CCc2cccc(Br)c2)ccc1-c1nnn[n-]1 ZINC000737707991 1446799531 /nfs/dbraw/zinc/79/95/31/1446799531.db2.gz CHJZPXBWAMANSW-UHFFFAOYSA-N -1 1 397.236 3.072 20 30 GGEDMM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3F)CCCC2)ccc1-c1nnn[n-]1 ZINC000826384503 1446837533 /nfs/dbraw/zinc/83/75/33/1446837533.db2.gz YFOUTEVEKFZQHT-UHFFFAOYSA-N -1 1 394.385 3.467 20 30 GGEDMM N#Cc1ccccc1N1CCCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000822842336 1446873597 /nfs/dbraw/zinc/87/35/97/1446873597.db2.gz CPMNYEYFZHTAQW-UHFFFAOYSA-N -1 1 396.458 3.003 20 30 GGEDMM C#CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000819709589 1446874122 /nfs/dbraw/zinc/87/41/22/1446874122.db2.gz KXQQCMIQUGQWDV-UHFFFAOYSA-N -1 1 387.321 3.150 20 30 GGEDMM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736326963 1446900684 /nfs/dbraw/zinc/90/06/84/1446900684.db2.gz JUVNZXBHLLULHB-ZDUSSCGKSA-N -1 1 376.420 3.269 20 30 GGEDMM C=CCOc1cccc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000823931661 1446904468 /nfs/dbraw/zinc/90/44/68/1446904468.db2.gz CQLHLXKVHRTSJW-FQEVSTJZSA-N -1 1 377.448 3.005 20 30 GGEDMM Fc1cccc(-n2ccc(NCC#Cc3ccccc3Cl)n2)c1-c1nnn[n-]1 ZINC000826376684 1446912338 /nfs/dbraw/zinc/91/23/38/1446912338.db2.gz NTFAXQBZZOSQQK-UHFFFAOYSA-N -1 1 393.813 3.309 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)Oc1ccccc1 ZINC000735420991 1446920062 /nfs/dbraw/zinc/92/00/62/1446920062.db2.gz WOFNZSNFTZCTRX-INIZCTEOSA-N -1 1 392.463 3.032 20 30 GGEDMM C=C[C@@H](CC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823882816 1446920178 /nfs/dbraw/zinc/92/01/78/1446920178.db2.gz DQCMNVKEXOROIR-SFHVURJKSA-N -1 1 391.475 3.202 20 30 GGEDMM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3)SC2=S)c1 ZINC000735390689 1446931052 /nfs/dbraw/zinc/93/10/52/1446931052.db2.gz CAJZTVRUCMQZJJ-LFIBNONCSA-N -1 1 389.465 3.254 20 30 GGEDMM C[C@@H](Nc1ccc(CC#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736139759 1446933836 /nfs/dbraw/zinc/93/38/36/1446933836.db2.gz QWIKHDDTYQIPBM-LLVKDONJSA-N -1 1 381.827 3.025 20 30 GGEDMM CN(C)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000736772752 1446950384 /nfs/dbraw/zinc/95/03/84/1446950384.db2.gz HKNZRLXNEYJLGA-UHFFFAOYSA-N -1 1 381.387 3.459 20 30 GGEDMM CCCOc1ccc(C=NOCCOc2ccccc2-c2nnn[n-]2)cc1OC ZINC000825338897 1446967455 /nfs/dbraw/zinc/96/74/55/1446967455.db2.gz JKGLHZYTELISIJ-UHFFFAOYSA-N -1 1 397.435 3.094 20 30 GGEDMM C#Cc1cccc(NC(=O)Nc2ccc(NC(=O)OCC)c(-c3nnn[n-]3)c2)c1 ZINC000823861617 1446982507 /nfs/dbraw/zinc/98/25/07/1446982507.db2.gz OHVSTEDYLAXJKR-UHFFFAOYSA-N -1 1 391.391 3.060 20 30 GGEDMM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1cc(Cl)ccc1Cl ZINC000737705816 1446982593 /nfs/dbraw/zinc/98/25/93/1446982593.db2.gz RDBPYGNSSXUZBM-UHFFFAOYSA-N -1 1 378.248 3.315 20 30 GGEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000820342090 1446999328 /nfs/dbraw/zinc/99/93/28/1446999328.db2.gz SZQTYOXNZOTRKM-HNNXBMFYSA-N -1 1 389.463 3.420 20 30 GGEDMM O=C1c2c3ccccc3[nH]c2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826477169 1447054653 /nfs/dbraw/zinc/05/46/53/1447054653.db2.gz WWZFIXDIDZLJCC-FMIVXFBMSA-N -1 1 381.399 3.208 20 30 GGEDMM Fc1cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC(F)F ZINC000826372488 1447057591 /nfs/dbraw/zinc/05/75/91/1447057591.db2.gz YUJSCVLUHDRAGZ-UHFFFAOYSA-N -1 1 383.721 3.102 20 30 GGEDMM C#CCSCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819709303 1447061273 /nfs/dbraw/zinc/06/12/73/1447061273.db2.gz BQPVBPZBKDUEKA-UHFFFAOYSA-N -1 1 393.472 3.064 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccc3ccc(Cl)cc3n2)cc1-c1nn[n-]n1 ZINC000822829862 1447111213 /nfs/dbraw/zinc/11/12/13/1447111213.db2.gz MNMFFRVAXURRAW-UHFFFAOYSA-N -1 1 375.779 3.192 20 30 GGEDMM COCCC(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736976659 1447115766 /nfs/dbraw/zinc/11/57/66/1447115766.db2.gz NNQZYHFUZQEDBF-UHFFFAOYSA-N -1 1 387.419 3.045 20 30 GGEDMM C=C(C)[C@@H](CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)OCC ZINC000823874791 1447138437 /nfs/dbraw/zinc/13/84/37/1447138437.db2.gz YXSACQGVCSTNRY-OAHLLOKOSA-N -1 1 384.465 3.300 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000826250962 1447142222 /nfs/dbraw/zinc/14/22/22/1447142222.db2.gz ASXHTFKKGFRHIL-SNVBAGLBSA-N -1 1 378.461 3.485 20 30 GGEDMM CN(Cc1ccc(C#N)cc1)c1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000736817297 1447151819 /nfs/dbraw/zinc/15/18/19/1447151819.db2.gz XGZXVJKYZXOAME-UHFFFAOYSA-N -1 1 377.358 3.201 20 30 GGEDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)CCc1ccc(C#N)cc1 ZINC000736487936 1447161785 /nfs/dbraw/zinc/16/17/85/1447161785.db2.gz KOKBKGXUGROEKT-UHFFFAOYSA-N -1 1 375.436 3.132 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(N(C)C)c1C ZINC000823910110 1447196825 /nfs/dbraw/zinc/19/68/25/1447196825.db2.gz XMORUCYNRDPJDV-UHFFFAOYSA-N -1 1 391.479 3.461 20 30 GGEDMM O=C(C=Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400009 1447200186 /nfs/dbraw/zinc/20/01/86/1447200186.db2.gz MRDGGVBZYVFQDB-UPHRSURJSA-N -1 1 392.343 3.154 20 30 GGEDMM N#CCC1(COC(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000822806602 1447238698 /nfs/dbraw/zinc/23/86/98/1447238698.db2.gz QCTLNMQODOBXFK-UHFFFAOYSA-N -1 1 389.415 3.296 20 30 GGEDMM CCNc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825480769 1447255116 /nfs/dbraw/zinc/25/51/16/1447255116.db2.gz JTPFKQFRLFROIV-UHFFFAOYSA-N -1 1 385.378 3.384 20 30 GGEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737730596 1447264533 /nfs/dbraw/zinc/26/45/33/1447264533.db2.gz NIFUNTMEJWGLPU-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM N#Cc1ccccc1CSCCNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737727672 1449008411 /nfs/dbraw/zinc/00/84/11/1449008411.db2.gz QIIKRFDHWQBFBI-UHFFFAOYSA-N -1 1 388.460 3.027 20 30 GGEDMM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736182368 1449065111 /nfs/dbraw/zinc/06/51/11/1449065111.db2.gz NSGVMQAYBWXGPT-CYBMUJFWSA-N -1 1 390.447 3.442 20 30 GGEDMM C=CCCCCCN(C)C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000735408889 1449095030 /nfs/dbraw/zinc/09/50/30/1449095030.db2.gz ULPNXCZVDMGPPU-UHFFFAOYSA-N -1 1 388.541 3.484 20 30 GGEDMM C=CCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000823919813 1449096334 /nfs/dbraw/zinc/09/63/34/1449096334.db2.gz RVIBJLNFTHWQKR-UHFFFAOYSA-N -1 1 399.458 3.189 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000823909438 1449148300 /nfs/dbraw/zinc/14/83/00/1449148300.db2.gz DICUJHOXBUWIDX-ZDUSSCGKSA-N -1 1 383.402 3.463 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822802030 1449161617 /nfs/dbraw/zinc/16/16/17/1449161617.db2.gz UMDKNGKPHSXCNX-CVEARBPZSA-N -1 1 375.392 3.051 20 30 GGEDMM N#Cc1cccc(-c2c[nH]c(CNc3nc4c(cc3-c3nnn[n-]3)CCCC4)n2)c1 ZINC000826386570 1449209103 /nfs/dbraw/zinc/20/91/03/1449209103.db2.gz KENUTWIPCLXYHU-UHFFFAOYSA-N -1 1 397.446 3.014 20 30 GGEDMM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(Br)cc(F)c1O ZINC000823958334 1449250378 /nfs/dbraw/zinc/25/03/78/1449250378.db2.gz JWEHPRJKQPDXKS-UHFFFAOYSA-N -1 1 391.204 3.310 20 30 GGEDMM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(Br)cc(F)c1O ZINC000823958334 1449250381 /nfs/dbraw/zinc/25/03/81/1449250381.db2.gz JWEHPRJKQPDXKS-UHFFFAOYSA-N -1 1 391.204 3.310 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735502507 1449274141 /nfs/dbraw/zinc/27/41/41/1449274141.db2.gz FNHAALOLBNGGSZ-ZDUSSCGKSA-N -1 1 394.460 3.136 20 30 GGEDMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736237309 1449288674 /nfs/dbraw/zinc/28/86/74/1449288674.db2.gz PDLQWWAOPXEWEC-QBIMZIAESA-N -1 1 382.468 3.154 20 30 GGEDMM O=C(CCCc1nnn[n-]1)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 ZINC000898080369 1449299882 /nfs/dbraw/zinc/29/98/82/1449299882.db2.gz GADGJBLZFODANF-UHFFFAOYSA-N -1 1 399.270 3.451 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000823909427 1449310208 /nfs/dbraw/zinc/31/02/08/1449310208.db2.gz DBLDULZDYWMVEP-UHFFFAOYSA-N -1 1 392.419 3.124 20 30 GGEDMM CC(=O)Nc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000735484501 1449313763 /nfs/dbraw/zinc/31/37/63/1449313763.db2.gz NOMJSOFOXJSCNH-UHFFFAOYSA-N -1 1 389.341 3.290 20 30 GGEDMM CCCCCCC[C@H](C)CNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821049259 1449321292 /nfs/dbraw/zinc/32/12/92/1449321292.db2.gz JQTOSIVODWQDKV-AWEZNQCLSA-N -1 1 386.500 3.226 20 30 GGEDMM C#CCOc1ccccc1[C@H](C)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000735387818 1449322671 /nfs/dbraw/zinc/32/26/71/1449322671.db2.gz HAUIWGIBEOWGBV-HNNXBMFYSA-N -1 1 376.416 3.116 20 30 GGEDMM N#Cc1cc2c(nc1N1CC=C(c3ccc(-c4nnn[n-]4)cc3)CC1)CCCC2 ZINC000826384448 1449328629 /nfs/dbraw/zinc/32/86/29/1449328629.db2.gz WEJLPXJJFTZGAA-UHFFFAOYSA-N -1 1 383.459 3.306 20 30 GGEDMM Cn1cc(C#N)cc1C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822665826 1449377796 /nfs/dbraw/zinc/37/77/96/1449377796.db2.gz ZTMWINPZJXOVNH-UHFFFAOYSA-N -1 1 385.387 3.121 20 30 GGEDMM Brc1ccc2c(c1)OCCC2=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000823832661 1449411199 /nfs/dbraw/zinc/41/11/99/1449411199.db2.gz SBOQPJMGETUTAP-UHFFFAOYSA-N -1 1 385.225 3.228 20 30 GGEDMM O=C1c2ccc(Br)cc2OC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823504458 1449430707 /nfs/dbraw/zinc/43/07/07/1449430707.db2.gz QIOJCCVSZHOVJD-LFYBBSHMSA-N -1 1 375.207 3.307 20 30 GGEDMM O=C(C=Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403656 1449439226 /nfs/dbraw/zinc/43/92/26/1449439226.db2.gz YMVDZYFAZDDXBX-QPJJXVBHSA-N -1 1 395.785 3.136 20 30 GGEDMM Cc1c(C(=O)C=Cc2nc3c(s2)CCCC3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234175 1449552259 /nfs/dbraw/zinc/55/22/59/1449552259.db2.gz LAIKROHFYQMLLJ-HJWRWDBZSA-N -1 1 380.477 3.154 20 30 GGEDMM N#CCOc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000737697913 1449564210 /nfs/dbraw/zinc/56/42/10/1449564210.db2.gz OMXZZVOYDXWSLC-UHFFFAOYSA-N -1 1 393.357 3.208 20 30 GGEDMM C=CCN(CC=C)C(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735419006 1449639734 /nfs/dbraw/zinc/63/97/34/1449639734.db2.gz OFDIXAGZGRSHPY-UHFFFAOYSA-N -1 1 392.488 3.221 20 30 GGEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1F ZINC000826387263 1449659629 /nfs/dbraw/zinc/65/96/29/1449659629.db2.gz MTDRPEUVXOALHV-UHFFFAOYSA-N -1 1 389.350 3.250 20 30 GGEDMM COc1ccc2[nH]cc(CN=Nc3oc(C(C)(C)C)nc3-c3nnn[n-]3)c2c1 ZINC000737115885 1449663179 /nfs/dbraw/zinc/66/31/79/1449663179.db2.gz SDWNNDRMOYTZDU-UHFFFAOYSA-N -1 1 380.412 3.088 20 30 GGEDMM C=CCCO[C@H](C)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735415923 1449672326 /nfs/dbraw/zinc/67/23/26/1449672326.db2.gz ASNKGLSSMHXVAN-OAHLLOKOSA-N -1 1 393.447 3.365 20 30 GGEDMM Cc1c(Cl)cnc(N2CCC(Oc3ccc(C#N)cc3)CC2)c1-c1nnn[n-]1 ZINC000826237896 1449675148 /nfs/dbraw/zinc/67/51/48/1449675148.db2.gz PETPCBBPOAUSQM-UHFFFAOYSA-N -1 1 395.854 3.143 20 30 GGEDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000821104611 1449679075 /nfs/dbraw/zinc/67/90/75/1449679075.db2.gz JZVZUQOIGYNXCM-UHFFFAOYSA-N -1 1 382.374 3.069 20 30 GGEDMM COC(=O)c1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)oc1C ZINC000736941752 1449702559 /nfs/dbraw/zinc/70/25/59/1449702559.db2.gz UFIWPPWHKIRTQS-UHFFFAOYSA-N -1 1 394.313 3.020 20 30 GGEDMM Cc1c(Cl)cnc(N2CCC(Oc3cccc(C#N)c3)CC2)c1-c1nnn[n-]1 ZINC000826237775 1449710591 /nfs/dbraw/zinc/71/05/91/1449710591.db2.gz LCGDWUUPYOKPNS-UHFFFAOYSA-N -1 1 395.854 3.143 20 30 GGEDMM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cccc1-c1ccccn1 ZINC000826234970 1449721803 /nfs/dbraw/zinc/72/18/03/1449721803.db2.gz XDVVSQJWAMLEIX-UHFFFAOYSA-N -1 1 381.399 3.361 20 30 GGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819897881 1449730842 /nfs/dbraw/zinc/73/08/42/1449730842.db2.gz ARTOICMFVQSPOB-SFHVURJKSA-N -1 1 390.447 3.114 20 30 GGEDMM FC(F)(F)Oc1ccccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826368168 1449794702 /nfs/dbraw/zinc/79/47/02/1449794702.db2.gz FDRHZVAGASONQG-UHFFFAOYSA-N -1 1 383.721 3.260 20 30 GGEDMM FC(F)(F)Oc1ccccc1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826368168 1449794703 /nfs/dbraw/zinc/79/47/03/1449794703.db2.gz FDRHZVAGASONQG-UHFFFAOYSA-N -1 1 383.721 3.260 20 30 GGEDMM C#Cc1cccc(NC(=S)Nc2nc3cc(-c4nnn[n-]4)ccc3n2CC)c1 ZINC000823861231 1449820551 /nfs/dbraw/zinc/82/05/51/1449820551.db2.gz AHYQXWZSGWLPKH-UHFFFAOYSA-N -1 1 388.460 3.027 20 30 GGEDMM Cn1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1-c1ccc(F)cc1 ZINC000737592379 1449830000 /nfs/dbraw/zinc/83/00/00/1449830000.db2.gz MQPDMSKXTREXLV-UHFFFAOYSA-N -1 1 387.378 3.135 20 30 GGEDMM CCC(N=Nc1oc(C)nc1-c1nnn[n-]1)c1cc(F)cc(Br)c1 ZINC000825029767 1449837907 /nfs/dbraw/zinc/83/79/07/1449837907.db2.gz ZEQQXAIGFMRPRL-UHFFFAOYSA-N -1 1 394.208 3.291 20 30 GGEDMM N#Cc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1-c1nn[n-]n1 ZINC000737719937 1449853690 /nfs/dbraw/zinc/85/36/90/1449853690.db2.gz XCOTWVCRVBGJLG-UHFFFAOYSA-N -1 1 379.430 3.176 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc(-c3ccccc3Cl)on2)ccc1-c1nn[n-]n1 ZINC000737709491 1449857977 /nfs/dbraw/zinc/85/79/77/1449857977.db2.gz ORWSCSAJJDVJOD-UHFFFAOYSA-N -1 1 391.778 3.299 20 30 GGEDMM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737117230 1449859156 /nfs/dbraw/zinc/85/91/56/1449859156.db2.gz YJFKBISRGCHCSB-AWEZNQCLSA-N -1 1 388.431 3.196 20 30 GGEDMM COc1ccc(Cl)cc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737097805 1449873308 /nfs/dbraw/zinc/87/33/08/1449873308.db2.gz LZLFOOMEYOXNHU-ALCCZGGFSA-N -1 1 383.839 3.481 20 30 GGEDMM C=CCN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000823903506 1449914560 /nfs/dbraw/zinc/91/45/60/1449914560.db2.gz BYCBHUSAZMQOMK-UHFFFAOYSA-N -1 1 375.432 3.236 20 30 GGEDMM N#Cc1ccc(OC2CCC(Nc3c(F)cc(-c4nn[n-]n4)cc3F)CC2)nc1 ZINC000826386158 1449915271 /nfs/dbraw/zinc/91/52/71/1449915271.db2.gz RJPJAAUARQFVNC-UHFFFAOYSA-N -1 1 397.389 3.214 20 30 GGEDMM CCC(Cc1ccc(OC)c(OC)c1)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000825128167 1449928132 /nfs/dbraw/zinc/92/81/32/1449928132.db2.gz ROEMNEJCKGTMHS-UHFFFAOYSA-N -1 1 399.455 3.416 20 30 GGEDMM Cc1c(C(=O)C=Cc2cnc3ccc(Cl)cn23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201285 1449941686 /nfs/dbraw/zinc/94/16/86/1449941686.db2.gz BWORUMIZRDNIAR-WAYWQWQTSA-N -1 1 393.838 3.120 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000819772643 1449975329 /nfs/dbraw/zinc/97/53/29/1449975329.db2.gz IEOGVQJYRRZWKS-UHFFFAOYSA-N -1 1 375.480 3.371 20 30 GGEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1c(Cl)cccc1Cl ZINC000822801404 1449980564 /nfs/dbraw/zinc/98/05/64/1449980564.db2.gz IVNCHKMWJXAEMB-VIFPVBQESA-N -1 1 379.232 3.230 20 30 GGEDMM Cc1ccc(-c2nc(CN=Nc3oc(C(C)C)nc3-c3nnn[n-]3)co2)cc1 ZINC000826273539 1449993489 /nfs/dbraw/zinc/99/34/89/1449993489.db2.gz IVKTZFTYBMLYAQ-UHFFFAOYSA-N -1 1 378.396 3.388 20 30 GGEDMM CCOc1ccc(N(CCC#N)C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825638755 1450011802 /nfs/dbraw/zinc/01/18/02/1450011802.db2.gz ONDZVOOJHSKBIN-UHFFFAOYSA-N -1 1 396.838 3.479 20 30 GGEDMM Cc1csc([C@@H](C#N)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737457004 1450056042 /nfs/dbraw/zinc/05/60/42/1450056042.db2.gz MXKHORUDWLUZFW-HNNXBMFYSA-N -1 1 382.449 3.057 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736309246 1450108681 /nfs/dbraw/zinc/10/86/81/1450108681.db2.gz MJGLMMBVPYRVPG-AWEZNQCLSA-N -1 1 379.380 3.068 20 30 GGEDMM N#Cc1cc(NC(=O)c2cccc(Oc3nccs3)c2)ccc1-c1nn[n-]n1 ZINC000737710263 1450139867 /nfs/dbraw/zinc/13/98/67/1450139867.db2.gz WKTUHPXNYJOEOQ-UHFFFAOYSA-N -1 1 389.400 3.239 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735973372 1450172874 /nfs/dbraw/zinc/17/28/74/1450172874.db2.gz GPDHQTPFUPZSAK-ZDUSSCGKSA-N -1 1 394.460 3.278 20 30 GGEDMM N#Cc1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000737717178 1450194909 /nfs/dbraw/zinc/19/49/09/1450194909.db2.gz AOBVUGPKVMMFQA-FQEVSTJZSA-N -1 1 396.410 3.497 20 30 GGEDMM C=CC[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000790561950 1450211152 /nfs/dbraw/zinc/21/11/52/1450211152.db2.gz SERLEDFRHUYFJH-HXUWFJFHSA-N -1 1 398.467 3.151 20 30 GGEDMM C=CCC[C@@H](NC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734992 1450237671 /nfs/dbraw/zinc/23/76/71/1450237671.db2.gz YKYHUGBWJVWCEU-HNAYVOBHSA-N -1 1 377.448 3.458 20 30 GGEDMM N#Cc1ccccc1N1CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000822842679 1450257656 /nfs/dbraw/zinc/25/76/56/1450257656.db2.gz TVZVTTFFFYPWRZ-UHFFFAOYSA-N -1 1 396.458 3.003 20 30 GGEDMM N#Cc1cccc(NC(=O)c2ccc(COc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737730198 1450271170 /nfs/dbraw/zinc/27/11/70/1450271170.db2.gz HHEBUMZILYLSCJ-UHFFFAOYSA-N -1 1 386.371 3.163 20 30 GGEDMM COc1ccc(C=NNCc2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000737082508 1450286688 /nfs/dbraw/zinc/28/66/88/1450286688.db2.gz WKHWUQKIOFFRCA-UHFFFAOYSA-N -1 1 377.235 3.306 20 30 GGEDMM N#Cc1cccc(CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1 ZINC000822837172 1450287452 /nfs/dbraw/zinc/28/74/52/1450287452.db2.gz IGVBPZDUVKGIHV-UHFFFAOYSA-N -1 1 387.428 3.043 20 30 GGEDMM Cc1c(C(=O)C=Cc2cccc(OC(F)F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202953 1450293658 /nfs/dbraw/zinc/29/36/58/1450293658.db2.gz QEFKUPQEGKVBTC-FPLPWBNLSA-N -1 1 385.374 3.420 20 30 GGEDMM CCOC(=O)Nc1ccc(N[C@H](C)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000825545580 1450308801 /nfs/dbraw/zinc/30/88/01/1450308801.db2.gz TYAOCDGLKCCPFQ-GFCCVEGCSA-N -1 1 377.408 3.480 20 30 GGEDMM Fc1ccc(C#CCNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000826373567 1450322752 /nfs/dbraw/zinc/32/27/52/1450322752.db2.gz QPKFEZFUURIOST-UHFFFAOYSA-N -1 1 393.813 3.309 20 30 GGEDMM C=CCN(CC(=O)c1cc(C)n(CC)c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740097 1450340882 /nfs/dbraw/zinc/34/08/82/1450340882.db2.gz OMPVEXVWEVEDBT-UHFFFAOYSA-N -1 1 378.480 3.176 20 30 GGEDMM COc1ccc2oc(C(C)=NNCc3ccc(-c4nnn[n-]4)cc3)c(C)c2c1 ZINC000821854452 1450372827 /nfs/dbraw/zinc/37/28/27/1450372827.db2.gz JYVXKASKRNAWFN-UHFFFAOYSA-N -1 1 376.420 3.444 20 30 GGEDMM Cc1c(Cl)cnc(N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826237732 1450375117 /nfs/dbraw/zinc/37/51/17/1450375117.db2.gz JNXDXBTZNJHQIG-ZBFHGGJFSA-N -1 1 379.855 3.500 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000819742866 1450384647 /nfs/dbraw/zinc/38/46/47/1450384647.db2.gz AYXMIHOSIKEUMQ-GOSISDBHSA-N -1 1 398.511 3.160 20 30 GGEDMM C#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)nc1 ZINC000735390327 1450394105 /nfs/dbraw/zinc/39/41/05/1450394105.db2.gz XLZFPRHIZLEBIT-UHFFFAOYSA-N -1 1 378.461 3.216 20 30 GGEDMM C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736170833 1450447146 /nfs/dbraw/zinc/44/71/46/1450447146.db2.gz XXOIGQMEZGDERM-CYBMUJFWSA-N -1 1 390.447 3.442 20 30 GGEDMM COc1cccc(CC(N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)C2CC2)c1 ZINC000826215022 1450457541 /nfs/dbraw/zinc/45/75/41/1450457541.db2.gz DMWVSCIJAGWGHC-UHFFFAOYSA-N -1 1 395.467 3.482 20 30 GGEDMM N#Cc1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1 ZINC000737727270 1450508569 /nfs/dbraw/zinc/50/85/69/1450508569.db2.gz IGHNAYYXVQVWLU-UHFFFAOYSA-N -1 1 399.380 3.084 20 30 GGEDMM N#C[C@H](C(=O)c1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2n1C(F)F ZINC000822802393 1450524894 /nfs/dbraw/zinc/52/48/94/1450524894.db2.gz ZYDPYTVALJPEEB-SECBINFHSA-N -1 1 385.359 3.163 20 30 GGEDMM COc1ccc(-c2ccccc2)cc1CN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000821732875 945852195 /nfs/dbraw/zinc/85/21/95/945852195.db2.gz WHDQWUUJHVEYFP-UHFFFAOYSA-N -1 1 375.392 3.285 20 30 GGEDMM C=CCCCCCN(C)S(=O)(=O)c1c2ccccc2sc1-c1nn[n-]n1 ZINC001573335677 947485441 /nfs/dbraw/zinc/48/54/41/947485441.db2.gz SEQINYNXPOIUJV-UHFFFAOYSA-N -1 1 391.522 3.448 20 30 GGEDMM C=CCn1c(Sc2ccnc(-c3nnn[n-]3)c2)nnc1-c1cccc(C)c1 ZINC001573347323 947572801 /nfs/dbraw/zinc/57/28/01/947572801.db2.gz BXMODXJRTRELBL-UHFFFAOYSA-N -1 1 376.449 3.166 20 30 GGEDMM C=CCn1c(Sc2ccnc(-c3nn[n-]n3)c2)nnc1-c1cccc(C)c1 ZINC001573347323 947572804 /nfs/dbraw/zinc/57/28/04/947572804.db2.gz BXMODXJRTRELBL-UHFFFAOYSA-N -1 1 376.449 3.166 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC001602785998 971530493 /nfs/dbraw/zinc/53/04/93/971530493.db2.gz AFHDAHSZQWTYRM-CRAIPNDOSA-N -1 1 397.500 3.162 20 30 GGEDMM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)CC1 ZINC001573824394 949850008 /nfs/dbraw/zinc/85/00/08/949850008.db2.gz DWXVKWLGBFEPLC-UHFFFAOYSA-N -1 1 387.875 3.144 20 30 GGEDMM CC(C)(C)Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)n2)cc1C#N ZINC001573876004 950658431 /nfs/dbraw/zinc/65/84/31/950658431.db2.gz BJHRCPVJACKGNH-UHFFFAOYSA-N -1 1 397.826 3.216 20 30 GGEDMM N#Cc1cc2c(n(Cc3ccc(C(=O)[O-])cc3)c1=O)CCN(Cc1ccccc1)C2 ZINC001594617347 956248055 /nfs/dbraw/zinc/24/80/55/956248055.db2.gz ICSWEBGUQVGLIA-UHFFFAOYSA-N -1 1 399.450 3.025 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588542633 958971868 /nfs/dbraw/zinc/97/18/68/958971868.db2.gz AFHDAHSZQWTYRM-YJBOKZPZSA-N -1 1 397.500 3.162 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@H](C(=O)[O-])CC[C@@H]2C)c1C#N ZINC001574298435 960711566 /nfs/dbraw/zinc/71/15/66/960711566.db2.gz CKWRWECZAATPBJ-WMLDXEAASA-N -1 1 394.475 3.089 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@@H](C(=O)[O-])CC[C@H]2C)c1C#N ZINC001574298433 960712511 /nfs/dbraw/zinc/71/25/11/960712511.db2.gz CKWRWECZAATPBJ-PBHICJAKSA-N -1 1 394.475 3.089 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H](CC(=O)[O-])C2)ccc1Cl ZINC001605187445 972906749 /nfs/dbraw/zinc/90/67/49/972906749.db2.gz XZSTUIPTBLJHKB-OAHLLOKOSA-N -1 1 377.872 3.082 20 30 GGEDMM Cc1c(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cccc1C(=O)[O-] ZINC000476795849 974204669 /nfs/dbraw/zinc/20/46/69/974204669.db2.gz RMQFQTGTVHWPJN-UHFFFAOYSA-N -1 1 384.335 3.385 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000518782854 974325104 /nfs/dbraw/zinc/32/51/04/974325104.db2.gz ORHGQRDGVKAFQE-ZDUSSCGKSA-N -1 1 390.486 3.366 20 30 GGEDMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000548524572 974464120 /nfs/dbraw/zinc/46/41/20/974464120.db2.gz UYXFXZIFXOGUCY-UHFFFAOYSA-N -1 1 384.335 3.385 20 30 GGEDMM CC(C)[C@H]1CN([C@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001591910548 976320084 /nfs/dbraw/zinc/32/00/84/976320084.db2.gz IGJXIGZELMMJGN-MSOLQXFVSA-N -1 1 387.480 3.261 20 30 GGEDMM N#CCCSc1ccccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751143392 978691671 /nfs/dbraw/zinc/69/16/71/978691671.db2.gz PYWDCEWAGJUQLJ-UHFFFAOYSA-N -1 1 398.412 3.470 20 30 GGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cc(O)c(O)c(Br)c1 ZINC000756901032 978701142 /nfs/dbraw/zinc/70/11/42/978701142.db2.gz GKKUCXMVFUMONO-UHFFFAOYSA-N -1 1 381.182 3.013 20 30 GGEDMM COc1cc(CN=Nc2ccc(C(=O)[O-])cc2OC)cc(Br)c1O ZINC000756905765 978702266 /nfs/dbraw/zinc/70/22/66/978702266.db2.gz IWRMMSUTPBXWSN-UHFFFAOYSA-N -1 1 395.209 3.316 20 30 GGEDMM COc1ccc2[nH]cc(CN=Nc3ccc(C(=O)[O-])cc3OC)c2c1[N+](=O)[O-] ZINC000785458123 978794815 /nfs/dbraw/zinc/79/48/15/978794815.db2.gz ZOTHICZYCKCVIU-UHFFFAOYSA-N -1 1 384.348 3.238 20 30 GGEDMM COCCOc1ccc(C(C)N=Nc2ccc(C(=O)[O-])c(F)c2)cc1OC ZINC000835010141 979244127 /nfs/dbraw/zinc/24/41/27/979244127.db2.gz PXNGXDXJKPYEAT-UHFFFAOYSA-N -1 1 376.384 3.394 20 30 GGEDMM C#CCN1CCC(C(=O)Oc2ccc3c(c2)c(C(=O)[O-])c(C)n3C2CC2)CC1 ZINC001588475638 983508931 /nfs/dbraw/zinc/50/89/31/983508931.db2.gz FJRFSCSAIWXUAJ-UHFFFAOYSA-N -1 1 380.444 3.233 20 30 GGEDMM C=C(C)COc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2OC)c1 ZINC001588576998 983655306 /nfs/dbraw/zinc/65/53/06/983655306.db2.gz KGXTXXBXJNMQIS-UHFFFAOYSA-N -1 1 377.418 3.149 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)[nH]n2)c1C ZINC001588912030 984550221 /nfs/dbraw/zinc/55/02/21/984550221.db2.gz ASEFDOYBNVJHQO-UHFFFAOYSA-N -1 1 383.383 3.166 20 30 GGEDMM CCOC(=O)c1ccc(-c2ccc(CN3CCC(C#N)(C(=O)[O-])CC3)o2)cc1 ZINC001596714527 984942601 /nfs/dbraw/zinc/94/26/01/984942601.db2.gz QIKOWPMETPBXCT-UHFFFAOYSA-N -1 1 382.416 3.314 20 30 GGEDMM C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)C[C@H](C)N1C ZINC001599922557 985156487 /nfs/dbraw/zinc/15/64/87/985156487.db2.gz VJMGNQOOHOJFEZ-CALCHBBNSA-N -1 1 391.471 3.341 20 30 GGEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c1C#N ZINC001599973240 986044998 /nfs/dbraw/zinc/04/49/98/986044998.db2.gz MYZDRWSTPPWXGD-ZSEKCTLFSA-N -1 1 386.496 3.073 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC001589331471 986186617 /nfs/dbraw/zinc/18/66/17/986186617.db2.gz FPTYEUKNMXKVSJ-KGLIPLIRSA-N -1 1 375.494 3.062 20 30 GGEDMM CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(C(=O)[O-])c2C#N)C12CCC2 ZINC001589985076 988877671 /nfs/dbraw/zinc/87/76/71/988877671.db2.gz KWRPEMHRLBSIIL-QGZVFWFLSA-N -1 1 385.464 3.278 20 30 GGEDMM CC(C)N1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC001591630268 992933607 /nfs/dbraw/zinc/93/36/07/992933607.db2.gz UEWFNZLXSKOZHB-UHFFFAOYSA-N -1 1 391.471 3.343 20 30 GGEDMM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001593188880 994105536 /nfs/dbraw/zinc/10/55/36/994105536.db2.gz BWIYZSHBEZICKS-QKKBWIMNSA-N -1 1 397.450 3.135 20 30 GGEDMM COc1cccc(-c2nc(C)c(C(=O)OCc3cccc(C(=O)[O-])c3C#N)[nH]2)c1 ZINC001599640426 994351332 /nfs/dbraw/zinc/35/13/32/994351332.db2.gz OEPCADICTMZAHF-UHFFFAOYSA-N -1 1 391.383 3.321 20 30 GGEDMM C[C@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccc(C#N)cc1 ZINC001593240407 994429750 /nfs/dbraw/zinc/42/97/50/994429750.db2.gz OHZAKPIPDSNDDF-LBPRGKRZSA-N -1 1 383.473 3.486 20 30 GGEDMM COC[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC001599174708 996820212 /nfs/dbraw/zinc/82/02/12/996820212.db2.gz XXUVPDUBUVICED-DLBZAZTESA-N -1 1 389.249 3.424 20 30 GGEDMM 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C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000483504464 566387410 /nfs/dbraw/zinc/38/74/10/566387410.db2.gz OTUTXEABUFBWPR-JTQLQIEISA-N -1 1 379.825 3.375 20 30 GGEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Br)c([O-])c1 ZINC000557595284 566401453 /nfs/dbraw/zinc/40/14/53/566401453.db2.gz JBJAMABBQFHXKJ-UHFFFAOYSA-N -1 1 380.238 3.459 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc(C)c1C ZINC000484107875 566415759 /nfs/dbraw/zinc/41/57/59/566415759.db2.gz AUOOSQHYVYFJOP-UHFFFAOYSA-N -1 1 378.837 3.416 20 30 GGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](C1CCCCC1)C(F)(F)F ZINC000464214912 566456184 /nfs/dbraw/zinc/45/61/84/566456184.db2.gz YRDWLKQIFIUQKZ-HNNXBMFYSA-N -1 1 376.400 3.356 20 30 GGEDMM O=C(NO)c1cc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)cc1Cl ZINC000671997073 566462274 /nfs/dbraw/zinc/46/22/74/566462274.db2.gz YGVZMHFNMUNRHP-UHFFFAOYSA-N -1 1 379.196 3.052 20 30 GGEDMM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c(Cl)c1 ZINC000577758405 566463231 /nfs/dbraw/zinc/46/32/31/566463231.db2.gz SKLOKPDIYNGRDW-UHFFFAOYSA-N -1 1 382.800 3.247 20 30 GGEDMM COc1cc(S(=O)(=O)Nc2cc(C#N)ccc2C)c(Cl)cc1C(=O)[O-] ZINC000485262346 566486671 /nfs/dbraw/zinc/48/66/71/566486671.db2.gz BIIXMMLKKLEUTG-UHFFFAOYSA-N -1 1 380.809 3.028 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1F ZINC000558597399 566491938 /nfs/dbraw/zinc/49/19/38/566491938.db2.gz YBZTVFABZKXAHO-UHFFFAOYSA-N -1 1 380.198 3.132 20 30 GGEDMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1ccc(F)c(C(F)(F)F)c1 ZINC000559841213 566573094 /nfs/dbraw/zinc/57/30/94/566573094.db2.gz NLOQCGSCPMYCBB-UHFFFAOYSA-N -1 1 377.241 3.387 20 30 GGEDMM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000560057644 566592218 /nfs/dbraw/zinc/59/22/18/566592218.db2.gz MWQXWDIQLLEQPJ-UHFFFAOYSA-N -1 1 387.219 3.165 20 30 GGEDMM Cc1nc(SCC(=O)N(CCC#N)c2cccc(Cl)c2)[n-]c(=O)c1C ZINC000539617387 566592364 /nfs/dbraw/zinc/59/23/64/566592364.db2.gz XRLZJIIEFVLTRQ-UHFFFAOYSA-N -1 1 376.869 3.491 20 30 GGEDMM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000560056317 566592449 /nfs/dbraw/zinc/59/24/49/566592449.db2.gz GNHYLUHHVSOPMP-UHFFFAOYSA-N -1 1 375.258 3.088 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)c1 ZINC000540497854 566654831 /nfs/dbraw/zinc/65/48/31/566654831.db2.gz HBXNENZQPJXHNP-UHFFFAOYSA-N -1 1 376.503 3.434 20 30 GGEDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000467762407 566662462 /nfs/dbraw/zinc/66/24/62/566662462.db2.gz LTICIYYSWQKMBQ-UHFFFAOYSA-N -1 1 390.412 3.030 20 30 GGEDMM O=S(=O)([N-]CC#Cc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F ZINC000487453750 566674796 /nfs/dbraw/zinc/67/47/96/566674796.db2.gz SWVGFXASONXQKV-UHFFFAOYSA-N -1 1 375.318 3.314 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Br ZINC000427195462 566756440 /nfs/dbraw/zinc/75/64/40/566756440.db2.gz FPXNHFCOLHVILP-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc(Cl)c1F ZINC000427339215 566767279 /nfs/dbraw/zinc/76/72/79/566767279.db2.gz UMLSALZRXSOGMT-UHFFFAOYSA-N -1 1 386.763 3.077 20 30 GGEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1Cl ZINC000609629692 566777616 /nfs/dbraw/zinc/77/76/16/566777616.db2.gz ITRZGYLMXCKNBQ-UHFFFAOYSA-N -1 1 378.837 3.498 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000451284975 566789503 /nfs/dbraw/zinc/78/95/03/566789503.db2.gz QGLVCPVZYBGYCY-SNVBAGLBSA-N -1 1 382.873 3.126 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C(F)(F)F)cc1F ZINC000489489895 566792363 /nfs/dbraw/zinc/79/23/63/566792363.db2.gz AGNPUTWCUQSWPU-CQSZACIVSA-N -1 1 376.306 3.418 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c(F)c1 ZINC000610082884 566804729 /nfs/dbraw/zinc/80/47/29/566804729.db2.gz OJXQZGNLNFILEO-UHFFFAOYSA-N -1 1 376.306 3.334 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)cc1[O-] ZINC000428068408 566814016 /nfs/dbraw/zinc/81/40/16/566814016.db2.gz BUSHNDWMVLARQX-HNNXBMFYSA-N -1 1 386.249 3.035 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)cc1[O-] ZINC000428068409 566814116 /nfs/dbraw/zinc/81/41/16/566814116.db2.gz BUSHNDWMVLARQX-OAHLLOKOSA-N -1 1 386.249 3.035 20 30 GGEDMM COc1cc(F)c(Br)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000517238817 566814263 /nfs/dbraw/zinc/81/42/63/566814263.db2.gz HOEMZWDQKZRVMC-UHFFFAOYSA-N -1 1 379.251 3.278 20 30 GGEDMM C[C@@H](NC(=O)c1cc(I)ccc1[O-])c1cccc(C#N)c1 ZINC000610366695 566827120 /nfs/dbraw/zinc/82/71/20/566827120.db2.gz RJICALFTSHHGGI-SNVBAGLBSA-N -1 1 392.196 3.359 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)cc1Br ZINC000451496844 566828884 /nfs/dbraw/zinc/82/88/84/566828884.db2.gz KNLBCTGKMWZLJT-MRVPVSSYSA-N -1 1 397.216 3.174 20 30 GGEDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000543165525 566858877 /nfs/dbraw/zinc/85/88/77/566858877.db2.gz BGADHWYLBBFEON-HNNXBMFYSA-N -1 1 399.255 3.058 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000582853170 566899982 /nfs/dbraw/zinc/89/99/82/566899982.db2.gz LISVGZCCAVTQLB-NSHDSACASA-N -1 1 382.429 3.401 20 30 GGEDMM C=CCCn1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)nn1 ZINC000632635829 566900909 /nfs/dbraw/zinc/90/09/09/566900909.db2.gz OFBNBPDVFUXRMZ-UHFFFAOYSA-N -1 1 394.806 3.005 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3occc32)cc1Br ZINC000564244399 566957670 /nfs/dbraw/zinc/95/76/70/566957670.db2.gz JGMGFJBNNVHMOX-ZDUSSCGKSA-N -1 1 399.241 3.409 20 30 GGEDMM C=CCOCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Br ZINC000656955055 566982744 /nfs/dbraw/zinc/98/27/44/566982744.db2.gz DQTVLCSOMPPJTE-UHFFFAOYSA-N -1 1 389.098 3.237 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CSC)c1 ZINC000544725794 566988275 /nfs/dbraw/zinc/98/82/75/566988275.db2.gz LPHKRXAOUURVLZ-UHFFFAOYSA-N -1 1 376.503 3.266 20 30 GGEDMM COc1ccc(Br)c(CN(C)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000430192437 566999067 /nfs/dbraw/zinc/99/90/67/566999067.db2.gz CAFXDYZIGMQQSO-UHFFFAOYSA-N -1 1 375.222 3.307 20 30 GGEDMM CC#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000584194222 567020154 /nfs/dbraw/zinc/02/01/54/567020154.db2.gz YRCLDMAFIGLQIF-UHFFFAOYSA-N -1 1 376.865 3.236 20 30 GGEDMM N#CCc1ccnc(NC(=O)c2c([O-])cnc3c(Br)cccc32)c1 ZINC000584403222 567039768 /nfs/dbraw/zinc/03/97/68/567039768.db2.gz RHGNSTUOOKRBQS-UHFFFAOYSA-N -1 1 383.205 3.416 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c(F)c1 ZINC000521183529 567047213 /nfs/dbraw/zinc/04/72/13/567047213.db2.gz JNWAKASAIKECHZ-UHFFFAOYSA-N -1 1 378.278 3.378 20 30 GGEDMM Cc1c(C#N)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000431187369 567065178 /nfs/dbraw/zinc/06/51/78/567065178.db2.gz OMGVEWGVIGYNOP-UHFFFAOYSA-N -1 1 395.234 3.128 20 30 GGEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000473401086 567078484 /nfs/dbraw/zinc/07/84/84/567078484.db2.gz KXPJYRMKDGIOGJ-UHFFFAOYSA-N -1 1 378.837 3.498 20 30 GGEDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000588839349 567139341 /nfs/dbraw/zinc/13/93/41/567139341.db2.gz TWQCHDZHKMBKLH-UHFFFAOYSA-N -1 1 377.853 3.104 20 30 GGEDMM COc1cc(Br)ccc1CCCNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589201985 567165247 /nfs/dbraw/zinc/16/52/47/567165247.db2.gz JYBYKCPLDCIYOR-UHFFFAOYSA-N -1 1 389.249 3.398 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(OC)c2)c1 ZINC000432650138 567177934 /nfs/dbraw/zinc/17/79/34/567177934.db2.gz YXAWLVPLVOVILO-UHFFFAOYSA-N -1 1 380.853 3.065 20 30 GGEDMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432771526 567189289 /nfs/dbraw/zinc/18/92/89/567189289.db2.gz XMYAEXHGBCQEEW-UHFFFAOYSA-N -1 1 391.250 3.306 20 30 GGEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000589963660 567200949 /nfs/dbraw/zinc/20/09/49/567200949.db2.gz PAFFZUPJHRFKRE-UHFFFAOYSA-N -1 1 382.800 3.328 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1Br ZINC000475819891 567280379 /nfs/dbraw/zinc/28/03/79/567280379.db2.gz WJBWHOOJSYHLOX-UHFFFAOYSA-N -1 1 381.251 3.325 20 30 GGEDMM C=CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@@H](C)COC ZINC000617583428 567323278 /nfs/dbraw/zinc/32/32/78/567323278.db2.gz IGSZGLVSPQEMOF-NSHDSACASA-N -1 1 379.254 3.366 20 30 GGEDMM C=CCN(C(=O)c1c([O-])cnc2c(Br)cccc21)[C@H](C)COC ZINC000617583427 567323903 /nfs/dbraw/zinc/32/39/03/567323903.db2.gz IGSZGLVSPQEMOF-LLVKDONJSA-N -1 1 379.254 3.366 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)s1 ZINC000435491230 567372201 /nfs/dbraw/zinc/37/22/01/567372201.db2.gz AOCSPLKKVOBGRI-UHFFFAOYSA-N -1 1 379.207 3.461 20 30 GGEDMM N#Cc1ccsc1C(=O)[N-]c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1F ZINC000477458798 567395402 /nfs/dbraw/zinc/39/54/02/567395402.db2.gz XTLZPPNYKHSZLI-UHFFFAOYSA-N -1 1 399.856 3.105 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)c(Cl)c1 ZINC000502488347 567436898 /nfs/dbraw/zinc/43/68/98/567436898.db2.gz ORHFQVGCIOLPKJ-UHFFFAOYSA-N -1 1 379.800 3.036 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c(Cl)c1 ZINC000502812322 567453172 /nfs/dbraw/zinc/45/31/72/567453172.db2.gz FQHMVYNVBWZFJX-UHFFFAOYSA-N -1 1 375.793 3.192 20 30 GGEDMM CSc1cc2c(cc1[N-]S(=O)(=O)c1cccc(CC#N)c1)OCCO2 ZINC000619462518 567455351 /nfs/dbraw/zinc/45/53/51/567455351.db2.gz FMBAHCGVHFEAIK-UHFFFAOYSA-N -1 1 376.459 3.047 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc(Cl)c1F ZINC000619463943 567455553 /nfs/dbraw/zinc/45/55/53/567455553.db2.gz HDILEMSCEZAWPH-UHFFFAOYSA-N -1 1 382.800 3.133 20 30 GGEDMM COc1cc(Br)cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619463437 567455677 /nfs/dbraw/zinc/45/56/77/567455677.db2.gz AFERZQJUFFJEDJ-UHFFFAOYSA-N -1 1 381.251 3.325 20 30 GGEDMM C[S@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000550795443 567461338 /nfs/dbraw/zinc/46/13/38/567461338.db2.gz SNUFQILEHGKTED-QHCPKHFHSA-N -1 1 386.857 3.030 20 30 GGEDMM CC1(C)CCCN(C(=O)c2cc(I)ccc2[O-])[C@H]1C#N ZINC000436916443 567466435 /nfs/dbraw/zinc/46/64/35/567466435.db2.gz WIHYDKJMLSUYRU-ZDUSSCGKSA-N -1 1 384.217 3.151 20 30 GGEDMM N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Br)cc3[O-])n2)c1 ZINC000619610747 567469660 /nfs/dbraw/zinc/46/96/60/567469660.db2.gz DERWSGJZUBZEEH-UHFFFAOYSA-N -1 1 383.205 3.464 20 30 GGEDMM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000570386288 567480545 /nfs/dbraw/zinc/48/05/45/567480545.db2.gz LXTYLCRLEFPJDG-HZMBPMFUSA-N -1 1 375.263 3.339 20 30 GGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1)C1CCCC1 ZINC000594694892 567500339 /nfs/dbraw/zinc/50/03/39/567500339.db2.gz CQCAXLUFUUBZJN-HNNXBMFYSA-N -1 1 387.299 3.268 20 30 GGEDMM C[C@@]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)(C1CC1)C(F)(F)F ZINC000479140457 567507367 /nfs/dbraw/zinc/50/73/67/567507367.db2.gz CTVOYKOSIBBNBV-GFCCVEGCSA-N -1 1 397.216 3.330 20 30 GGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)c(C)c1 ZINC000439245978 567576082 /nfs/dbraw/zinc/57/60/82/567576082.db2.gz LOTQRXHAIKHZSV-UHFFFAOYSA-N -1 1 380.267 3.472 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc(Cl)c1F ZINC000480215881 567588383 /nfs/dbraw/zinc/58/83/83/567588383.db2.gz IBGXCCJETVUYRE-UHFFFAOYSA-N -1 1 382.800 3.247 20 30 GGEDMM COCCC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000553541189 567664267 /nfs/dbraw/zinc/66/42/67/567664267.db2.gz DFZFXMBXVYRBCL-AWEZNQCLSA-N -1 1 382.869 3.293 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cc(F)cc(Br)c2)C2CC2)o1 ZINC000553861713 567692044 /nfs/dbraw/zinc/69/20/44/567692044.db2.gz RVXFIJILTIONEK-HNNXBMFYSA-N -1 1 399.241 3.482 20 30 GGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)cc(Br)c1 ZINC000507933581 567717806 /nfs/dbraw/zinc/71/78/06/567717806.db2.gz CEXQDFGXFJTUEO-UHFFFAOYSA-N -1 1 380.267 3.472 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1Br ZINC000508086468 567728193 /nfs/dbraw/zinc/72/81/93/567728193.db2.gz SAFAVDXRMMYIBD-UHFFFAOYSA-N -1 1 393.262 3.447 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1C ZINC000508129430 567732715 /nfs/dbraw/zinc/73/27/15/567732715.db2.gz ADGSDYNAURUQGN-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM Cn1cnc2cc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)ccc21 ZINC000443358247 567750531 /nfs/dbraw/zinc/75/05/31/567750531.db2.gz HQEGHSXTGFCZNR-UHFFFAOYSA-N -1 1 391.250 3.008 20 30 GGEDMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000443403322 567754867 /nfs/dbraw/zinc/75/48/67/567754867.db2.gz OLBWVMOAMWPAJE-XMMPIXPASA-N -1 1 388.392 3.115 20 30 GGEDMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1 ZINC000443408727 567755242 /nfs/dbraw/zinc/75/52/42/567755242.db2.gz LNFWBBAGLDJYGY-XMMPIXPASA-N -1 1 388.392 3.115 20 30 GGEDMM N#C[C@@H](C(=O)COC1CCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817858 570254567 /nfs/dbraw/zinc/25/45/67/570254567.db2.gz SXGRFTAHNCQUPJ-AWEZNQCLSA-N -1 1 385.489 3.389 20 30 GGEDMM Cc1cc(C)n(N=Cc2ccc(-c3c(F)cccc3F)o2)c(=O)c1-c1nn[n-]n1 ZINC000737257615 599010415 /nfs/dbraw/zinc/01/04/15/599010415.db2.gz WJPCCUWOCQNMAB-UHFFFAOYSA-N -1 1 396.357 3.066 20 30 GGEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000819855872 597607822 /nfs/dbraw/zinc/60/78/22/597607822.db2.gz DNKWFXDRVVTYJD-ZDUSSCGKSA-N -1 1 390.268 3.160 20 30 GGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc3c(c2)CC(C)(C)O3)o1 ZINC000736213750 598787102 /nfs/dbraw/zinc/78/71/02/598787102.db2.gz JDRKIIQWQLLVJF-UHFFFAOYSA-N -1 1 381.440 3.312 20 30 GGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc3c2OC(C)(C)C3)o1 ZINC000736215440 599535269 /nfs/dbraw/zinc/53/52/69/599535269.db2.gz XTEGWWYUUFHMBC-UHFFFAOYSA-N -1 1 381.440 3.312 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000738435535 599853105 /nfs/dbraw/zinc/85/31/05/599853105.db2.gz ZNCDYXFEBIUDRL-UHFFFAOYSA-N -1 1 398.362 3.395 20 30 GGEDMM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)c1 ZINC000135336136 599923777 /nfs/dbraw/zinc/92/37/77/599923777.db2.gz NZQCHVLEJVMCSF-UHFFFAOYSA-N -1 1 398.209 3.069 20 30 GGEDMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1ccc(OCC#N)cc1)CC2 ZINC000737905497 599924298 /nfs/dbraw/zinc/92/42/98/599924298.db2.gz JZVRRISOUHMICG-LJQANCHMSA-N -1 1 396.443 3.180 20 30 GGEDMM N#Cc1c(NC(=O)CNC2(C(=O)[O-])CCCCC2)sc2c1CCCCC2 ZINC000739093980 600150293 /nfs/dbraw/zinc/15/02/93/600150293.db2.gz XHKKJRXPEIHATQ-UHFFFAOYSA-N -1 1 375.494 3.204 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000523123173 600394848 /nfs/dbraw/zinc/39/48/48/600394848.db2.gz UBTUBNLTPANRTC-UHFFFAOYSA-N -1 1 388.298 3.215 20 30 GGEDMM CCc1cc(CNC(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n[nH]1 ZINC000737254139 600510049 /nfs/dbraw/zinc/51/00/49/600510049.db2.gz OMXWJXKBZXERPH-UHFFFAOYSA-N -1 1 388.427 3.392 20 30 GGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000739107390 600562978 /nfs/dbraw/zinc/56/29/78/600562978.db2.gz XBIJRHUDRYZYPH-LJQANCHMSA-N -1 1 376.416 3.076 20 30 GGEDMM COc1cccc([C@@H](C)N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738089282 600568986 /nfs/dbraw/zinc/56/89/86/600568986.db2.gz CYVJHOVYMFVNAJ-IERDGZPVSA-N -1 1 379.460 3.071 20 30 GGEDMM COc1ccc(Br)c(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737917710 600594553 /nfs/dbraw/zinc/59/45/53/600594553.db2.gz LYWVKISMDCPYNE-MRXNPFEDSA-N -1 1 375.222 3.245 20 30 GGEDMM N#Cc1cccc([C@H](NCc2cccc(NC(=O)c3ccncc3)c2)C(=O)[O-])c1 ZINC000833074891 601302515 /nfs/dbraw/zinc/30/25/15/601302515.db2.gz GDGRYKUBRBZEHC-FQEVSTJZSA-N -1 1 386.411 3.121 20 30 GGEDMM N#Cc1cccc([C@H](NCc2cccc(NC(=O)c3ccccn3)c2)C(=O)[O-])c1 ZINC000833074873 601302632 /nfs/dbraw/zinc/30/26/32/601302632.db2.gz FTRSTJXJAUVGNS-FQEVSTJZSA-N -1 1 386.411 3.121 20 30 GGEDMM CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000827037880 601325988 /nfs/dbraw/zinc/32/59/88/601325988.db2.gz CQRKANYLFJBKSM-UXBLZVDNSA-N -1 1 386.429 3.244 20 30 GGEDMM Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1C(=O)[O-] ZINC000484803614 601334334 /nfs/dbraw/zinc/33/43/34/601334334.db2.gz AYUXIMALLZEUJW-UHFFFAOYSA-N -1 1 384.335 3.385 20 30 GGEDMM Cc1sc(NC(=O)CN(Cc2ccccc2)C[C@H](C)C(=O)[O-])c(C#N)c1C ZINC000833034473 601390069 /nfs/dbraw/zinc/39/00/69/601390069.db2.gz VGZWFWCAMHSFKV-ZDUSSCGKSA-N -1 1 385.489 3.398 20 30 GGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@H](C)[C@@H](C(=O)[O-])C2)c1C#N ZINC000832849973 601513743 /nfs/dbraw/zinc/51/37/43/601513743.db2.gz VFRUVHFSYYKARX-UGSOOPFHSA-N -1 1 386.496 3.073 20 30 GGEDMM CCOc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1OC(F)F ZINC000830104878 601642995 /nfs/dbraw/zinc/64/29/95/601642995.db2.gz XROJCPAWBWOBJS-INIZCTEOSA-N -1 1 376.359 3.474 20 30 GGEDMM C=C(C)COc1cccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000825647851 601839714 /nfs/dbraw/zinc/83/97/14/601839714.db2.gz WDIGGWQRWVTNBW-UHFFFAOYSA-N -1 1 382.825 3.189 20 30 GGEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000825977619 601840377 /nfs/dbraw/zinc/84/03/77/601840377.db2.gz KPYDOQQNPZGWSB-HNNXBMFYSA-N -1 1 375.444 3.038 20 30 GGEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CCC(=O)[O-])CC1 ZINC000825977620 601840549 /nfs/dbraw/zinc/84/05/49/601840549.db2.gz KPYDOQQNPZGWSB-OAHLLOKOSA-N -1 1 375.444 3.038 20 30 GGEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000832933436 601850756 /nfs/dbraw/zinc/85/07/56/601850756.db2.gz BTNLFWONHTZVCX-FPOVZHCZSA-N -1 1 380.444 3.340 20 30 GGEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826027163 601923401 /nfs/dbraw/zinc/92/34/01/601923401.db2.gz UNUGNALYRHGANU-CWTRNNRKSA-N -1 1 375.494 3.012 20 30 GGEDMM C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccc(F)cc1 ZINC000823937457 607537028 /nfs/dbraw/zinc/53/70/28/607537028.db2.gz YPKMUNUWKCJJCT-UHFFFAOYSA-N -1 1 394.439 3.138 20 30 GGEDMM C=CCn1c(SCc2ccnc(-c3nn[n-]n3)c2)nnc1-c1ccc(F)cc1 ZINC000823937457 607537030 /nfs/dbraw/zinc/53/70/30/607537030.db2.gz YPKMUNUWKCJJCT-UHFFFAOYSA-N -1 1 394.439 3.138 20 30 GGEDMM Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccnc(-c3nnn[n-]3)c2)n1 ZINC000826262279 607542648 /nfs/dbraw/zinc/54/26/48/607542648.db2.gz KKJKGIISBUCDQF-UHFFFAOYSA-N -1 1 377.355 3.148 20 30 GGEDMM Cc1cc(C(F)(F)F)c(C#N)c(SCc2ccnc(-c3nn[n-]n3)c2)n1 ZINC000826262279 607542649 /nfs/dbraw/zinc/54/26/49/607542649.db2.gz KKJKGIISBUCDQF-UHFFFAOYSA-N -1 1 377.355 3.148 20 30 GGEDMM C=CCOc1ccc(CN(CC(=O)N2CCC(C(=O)[O-])CC2)C(C)(C)C)cc1 ZINC000825699411 602324584 /nfs/dbraw/zinc/32/45/84/602324584.db2.gz ZLLRJXBJCYNNJT-UHFFFAOYSA-N -1 1 388.508 3.175 20 30 GGEDMM Cc1c(C#N)cccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000179029152 604398794 /nfs/dbraw/zinc/39/87/94/604398794.db2.gz FNJFNVKFLJIYRZ-UHFFFAOYSA-N -1 1 395.234 3.128 20 30 GGEDMM C=CCOc1c(Br)cc(CN2CC[C@H](C(=O)[O-])C2)cc1OCC ZINC000263387659 604543960 /nfs/dbraw/zinc/54/39/60/604543960.db2.gz DJOQOWJMBGXPBK-ZDUSSCGKSA-N -1 1 384.270 3.319 20 30 GGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(CCOc3ccccc3Cl)CC2)cc1 ZINC000833071549 604790923 /nfs/dbraw/zinc/79/09/23/604790923.db2.gz IZJZOJJQVZGUJW-HXUWFJFHSA-N -1 1 399.878 3.034 20 30 GGEDMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000833421720 604943284 /nfs/dbraw/zinc/94/32/84/604943284.db2.gz ZUKIXGMRSIJHSA-AWEZNQCLSA-N -1 1 375.494 3.064 20 30 GGEDMM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833411071 604950955 /nfs/dbraw/zinc/95/09/55/604950955.db2.gz LGZMBHOBGQWNKI-QWHCGFSZSA-N -1 1 389.521 3.258 20 30 GGEDMM CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1C#N ZINC000771906440 605009867 /nfs/dbraw/zinc/00/98/67/605009867.db2.gz YGQFRSVUBSYSBA-UHFFFAOYSA-N -1 1 394.836 3.498 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833472998 605058533 /nfs/dbraw/zinc/05/85/33/605058533.db2.gz YJSZXYKMPDWHHT-QGZVFWFLSA-N -1 1 378.388 3.175 20 30 GGEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000741760110 605097503 /nfs/dbraw/zinc/09/75/03/605097503.db2.gz SCRZEZLCWOLFHJ-UHFFFAOYSA-N -1 1 382.388 3.260 20 30 GGEDMM C#CC[C@@H](NCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000833360918 605133991 /nfs/dbraw/zinc/13/39/91/605133991.db2.gz SEXXWEMHOATVGK-WIYYLYMNSA-N -1 1 389.455 3.076 20 30 GGEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(OCC(=O)N(C)C)cc1 ZINC000833386484 605156142 /nfs/dbraw/zinc/15/61/42/605156142.db2.gz JJOAMJUZJXXKBW-UHFFFAOYSA-N -1 1 389.839 3.341 20 30 GGEDMM CC[C@H](C)[C@@H](NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833638953 605224584 /nfs/dbraw/zinc/22/45/84/605224584.db2.gz LRTJDKDIBHHJKB-PONJGIIJSA-N -1 1 393.487 3.491 20 30 GGEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000779844343 605596748 /nfs/dbraw/zinc/59/67/48/605596748.db2.gz HDUFOEOLMGMPMP-JTQLQIEISA-N -1 1 380.809 3.130 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833402489 605597987 /nfs/dbraw/zinc/59/79/87/605597987.db2.gz NULVNXKLOOQXTP-SNVBAGLBSA-N -1 1 380.809 3.130 20 30 GGEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833402046 605598209 /nfs/dbraw/zinc/59/82/09/605598209.db2.gz AASAVDIRGSUGMX-JTQLQIEISA-N -1 1 380.809 3.130 20 30 GGEDMM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000822801082 606299663 /nfs/dbraw/zinc/29/96/63/606299663.db2.gz DONQOGUQFWSQLB-CZUORRHYSA-N -1 1 392.394 3.220 20 30 GGEDMM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000822801082 606299664 /nfs/dbraw/zinc/29/96/64/606299664.db2.gz DONQOGUQFWSQLB-CZUORRHYSA-N -1 1 392.394 3.220 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cnn1-c1ccc(F)cc1 ZINC000822015473 606391224 /nfs/dbraw/zinc/39/12/24/606391224.db2.gz KDJZWHKPAQNMDQ-VURMDHGXSA-N -1 1 380.408 3.458 20 30 GGEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2c(Br)cccc21 ZINC000823504462 606391688 /nfs/dbraw/zinc/39/16/88/606391688.db2.gz QJWOVGFBKMMXKA-SOFGYWHQSA-N -1 1 389.234 3.349 20 30 GGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(F)cc2N(C)C)o1 ZINC000819781700 607035476 /nfs/dbraw/zinc/03/54/76/607035476.db2.gz CZABKZLXHLWYSP-UHFFFAOYSA-N -1 1 386.435 3.094 20 30 GGEDMM CC(N=Nc1ncnc2sc3c(c21)CCC3)c1ccc(-c2nn[n-]n2)s1 ZINC000823962095 608091634 /nfs/dbraw/zinc/09/16/34/608091634.db2.gz DYNUJFVTFKYFPX-UHFFFAOYSA-N -1 1 382.478 3.258 20 30 GGEDMM COc1cc(C#N)ccc1Oc1ccc(Nc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826176949 608410541 /nfs/dbraw/zinc/41/05/41/608410541.db2.gz LCYBTQXTTUGTLG-UHFFFAOYSA-N -1 1 386.375 3.073 20 30 GGEDMM COc1cc(C#N)ccc1Oc1ccc(Nc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826176949 608410543 /nfs/dbraw/zinc/41/05/43/608410543.db2.gz LCYBTQXTTUGTLG-UHFFFAOYSA-N -1 1 386.375 3.073 20 30 GGEDMM C[C@@H](Nc1cccc(C#N)n1)c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824662270 609593751 /nfs/dbraw/zinc/59/37/51/609593751.db2.gz HARPUTPHXZKIPJ-CQSZACIVSA-N -1 1 397.446 3.314 20 30 GGEDMM C[C@@H](Nc1cccc(C#N)n1)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824662270 609593752 /nfs/dbraw/zinc/59/37/52/609593752.db2.gz HARPUTPHXZKIPJ-CQSZACIVSA-N -1 1 397.446 3.314 20 30 GGEDMM N#C[C@H](C(=O)c1ccnc(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000054429667 1406734206 /nfs/dbraw/zinc/73/42/06/1406734206.db2.gz VCPCGOWXLBFIHB-LLVKDONJSA-N -1 1 384.848 3.402 20 30 GGEDMM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2)c1)c1nnc2n1CCCCC2 ZINC000054727331 1406814313 /nfs/dbraw/zinc/81/43/13/1406814313.db2.gz SQZBKZOYOLKURY-INIZCTEOSA-N -1 1 380.839 3.334 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000007409738 1398669103 /nfs/dbraw/zinc/66/91/03/1398669103.db2.gz HAPNFNGBPQHCLH-UHFFFAOYSA-N -1 1 393.472 3.344 20 30 GGEDMM Cc1cc(C)c(C#N)c(SCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)n1 ZINC000010267047 1398883650 /nfs/dbraw/zinc/88/36/50/1398883650.db2.gz PNNBBFJHHNECRS-UHFFFAOYSA-N -1 1 391.399 3.220 20 30 GGEDMM CSc1nc(C)c(CCC(=O)Nc2cccc(OCCCC#N)c2)c(=O)[n-]1 ZINC000055569820 1407006458 /nfs/dbraw/zinc/00/64/58/1407006458.db2.gz ZRSAGLMCEVMEKU-UHFFFAOYSA-N -1 1 386.477 3.054 20 30 GGEDMM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1Cl ZINC000015508871 1399167922 /nfs/dbraw/zinc/16/79/22/1399167922.db2.gz XNDGTXXMVFRINO-UHFFFAOYSA-N -1 1 394.880 3.455 20 30 GGEDMM O=C1Nc2c(cccc2C(F)(F)F)C1=N[N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017644117 1399287776 /nfs/dbraw/zinc/28/77/76/1399287776.db2.gz CPNYAZKDRVIHKL-UHFFFAOYSA-N -1 1 395.253 3.290 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c1 ZINC000055589632 1407015441 /nfs/dbraw/zinc/01/54/41/1407015441.db2.gz XUSTYEVRWXJIDC-UHFFFAOYSA-N -1 1 393.896 3.123 20 30 GGEDMM O=C(C#Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020448371 1399346414 /nfs/dbraw/zinc/34/64/14/1399346414.db2.gz CZQYCDMIPLZILK-UHFFFAOYSA-N -1 1 376.437 3.478 20 30 GGEDMM NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1 ZINC000022959537 1399519639 /nfs/dbraw/zinc/51/96/39/1399519639.db2.gz SFLNAYZBVGCXPJ-UHFFFAOYSA-N -1 1 382.466 3.048 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)Cc3ccccc3F)n2)n[n-]c1=S ZINC000023041818 1399528485 /nfs/dbraw/zinc/52/84/85/1399528485.db2.gz DHVXXSLHSZKQOT-UHFFFAOYSA-N -1 1 389.481 3.494 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1OC ZINC000055640024 1407037013 /nfs/dbraw/zinc/03/70/13/1407037013.db2.gz GKQMHDDIJWMIBV-UHFFFAOYSA-N -1 1 376.434 3.187 20 30 GGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000055640055 1407037161 /nfs/dbraw/zinc/03/71/61/1407037161.db2.gz SAWCSQZWDWYEAA-UHFFFAOYSA-N -1 1 399.472 3.297 20 30 GGEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)o1 ZINC000024618832 1399648667 /nfs/dbraw/zinc/64/86/67/1399648667.db2.gz RHVDBQBZLVIRKD-UHFFFAOYSA-N -1 1 389.477 3.410 20 30 GGEDMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000055663293 1407048214 /nfs/dbraw/zinc/04/82/14/1407048214.db2.gz RLLWXAKTYZIOOM-UHFFFAOYSA-N -1 1 391.880 3.398 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3cccc(OC)c3)n2)n[n-]c1=S ZINC000026091328 1399859396 /nfs/dbraw/zinc/85/93/96/1399859396.db2.gz CBSOISPXDAKIOG-UHFFFAOYSA-N -1 1 387.490 3.435 20 30 GGEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)ccc21 ZINC000026547921 1399898849 /nfs/dbraw/zinc/89/88/49/1399898849.db2.gz WEVGKEJZWDADPQ-UHFFFAOYSA-N -1 1 383.473 3.198 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1[N+](=O)[O-] ZINC000026547673 1399899077 /nfs/dbraw/zinc/89/90/77/1399899077.db2.gz VEDSDFDQYZYDEI-UHFFFAOYSA-N -1 1 375.406 3.205 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC#N)cc2)c(Br)c1 ZINC000028239184 1400141649 /nfs/dbraw/zinc/14/16/49/1400141649.db2.gz OTCVRQVORWIBMZ-UHFFFAOYSA-N -1 1 381.251 3.461 20 30 GGEDMM N#CCCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000028648546 1400179533 /nfs/dbraw/zinc/17/95/33/1400179533.db2.gz DFMIYABTZINERU-UHFFFAOYSA-N -1 1 376.409 3.477 20 30 GGEDMM N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000029285252 1400275696 /nfs/dbraw/zinc/27/56/96/1400275696.db2.gz BPRLZIBVJDNUMV-UHFFFAOYSA-N -1 1 395.850 3.048 20 30 GGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000029330407 1400284095 /nfs/dbraw/zinc/28/40/95/1400284095.db2.gz VCWWXXBESSGKBO-UHFFFAOYSA-N -1 1 390.421 3.012 20 30 GGEDMM CSc1nc(C)c(CCC(=O)Nc2cc(C#N)ccc2OC(C)C)c(=O)[n-]1 ZINC000056213640 1407253907 /nfs/dbraw/zinc/25/39/07/1407253907.db2.gz FGPWBTWPQYUJHP-UHFFFAOYSA-N -1 1 386.477 3.030 20 30 GGEDMM COc1ccccc1CC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707270 1404559312 /nfs/dbraw/zinc/55/93/12/1404559312.db2.gz DFPSPOHNVPIIOF-CQSZACIVSA-N -1 1 393.468 3.291 20 30 GGEDMM COc1ccccc1CC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707272 1404559913 /nfs/dbraw/zinc/55/99/13/1404559913.db2.gz DFPSPOHNVPIIOF-AWEZNQCLSA-N -1 1 393.468 3.291 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000047533830 1404860161 /nfs/dbraw/zinc/86/01/61/1404860161.db2.gz HYKALPHJKMUUKC-CQSZACIVSA-N -1 1 389.452 3.248 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000047533877 1404860187 /nfs/dbraw/zinc/86/01/87/1404860187.db2.gz ITZKVCCBZWHHDO-HNNXBMFYSA-N -1 1 385.489 3.418 20 30 GGEDMM N#Cc1cc(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)ccn1 ZINC000826383679 1426170915 /nfs/dbraw/zinc/17/09/15/1426170915.db2.gz LHBSYNRBTZHDHM-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM N#C[C@H](C(=O)c1noc2c1CCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048818076 1405297637 /nfs/dbraw/zinc/29/76/37/1405297637.db2.gz PWUDPHTVPLWJFF-GFCCVEGCSA-N -1 1 394.456 3.220 20 30 GGEDMM CC(C)(C)n1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000048818067 1405298252 /nfs/dbraw/zinc/29/82/52/1405298252.db2.gz PUGXXQRSYFMVFZ-ZDUSSCGKSA-N -1 1 395.488 3.305 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cc(Cl)ccc1OCC#N ZINC000826251788 1428215576 /nfs/dbraw/zinc/21/55/76/1428215576.db2.gz AJYHREGXHKSPHZ-UHFFFAOYSA-N -1 1 383.795 3.088 20 30 GGEDMM C#Cc1cccc(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000735390961 1427046949 /nfs/dbraw/zinc/04/69/49/1427046949.db2.gz JJIMFMVOZUXTOJ-UHFFFAOYSA-N -1 1 382.383 3.288 20 30 GGEDMM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(CCC#N)c1ccccc1 ZINC000736194319 1427071892 /nfs/dbraw/zinc/07/18/92/1427071892.db2.gz ZVCPJZRHBFOWHS-AWEZNQCLSA-N -1 1 378.461 3.294 20 30 GGEDMM N#CC(=C([O-])c1cnn(-c2ccccc2Cl)c1)c1nnc2n1CCCCC2 ZINC000050206438 1405521648 /nfs/dbraw/zinc/52/16/48/1405521648.db2.gz UXWFKPIFMRCGAZ-CQSZACIVSA-N -1 1 380.839 3.334 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(OC(F)F)c(F)c2)o1 ZINC000824352482 1427674080 /nfs/dbraw/zinc/67/40/80/1427674080.db2.gz FQIZUXJXBAIMBA-UHFFFAOYSA-N -1 1 381.318 3.165 20 30 GGEDMM N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826385002 1427858630 /nfs/dbraw/zinc/85/86/30/1427858630.db2.gz SSUJZAJSEUFRTM-UHFFFAOYSA-N -1 1 389.394 3.199 20 30 GGEDMM Oc1ccc2ccccc2c1C=NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738400486 1428223914 /nfs/dbraw/zinc/22/39/14/1428223914.db2.gz JJVUDHIIXINHAG-UCQKPKSFSA-N -1 1 399.458 3.208 20 30 GGEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000057123568 1407527043 /nfs/dbraw/zinc/52/70/43/1407527043.db2.gz LNZTXAQGJZEDHJ-UHFFFAOYSA-N -1 1 381.457 3.173 20 30 GGEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000057123551 1407527400 /nfs/dbraw/zinc/52/74/00/1407527400.db2.gz TVRSTQLGCXAIMU-UHFFFAOYSA-N -1 1 386.473 3.310 20 30 GGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 ZINC000057124110 1407527750 /nfs/dbraw/zinc/52/77/50/1407527750.db2.gz KATKTHBLHPOKFS-AWEZNQCLSA-N -1 1 386.473 3.350 20 30 GGEDMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737343933 1428297178 /nfs/dbraw/zinc/29/71/78/1428297178.db2.gz YKTYMXMSVXEZGD-NSHDSACASA-N -1 1 382.811 3.106 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1Br ZINC000819773956 1428316898 /nfs/dbraw/zinc/31/68/98/1428316898.db2.gz YGJLKNLNXGYULC-UHFFFAOYSA-N -1 1 389.232 3.282 20 30 GGEDMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(C#N)ccc2C)cc1 ZINC000064070296 1408477914 /nfs/dbraw/zinc/47/79/14/1408477914.db2.gz SDRQKBZPYXZKTC-UHFFFAOYSA-N -1 1 379.445 3.435 20 30 GGEDMM Cc1cc2occ(CC(=O)Nc3nc(S(C)(=O)=O)n[n-]3)c2cc1C(C)C ZINC000064348023 1408538459 /nfs/dbraw/zinc/53/84/59/1408538459.db2.gz QDLLVJWBAKOYIU-UHFFFAOYSA-N -1 1 376.438 3.217 20 30 GGEDMM Cc1cc2occ(CC(=O)Nc3nnc(S(C)(=O)=O)[n-]3)c2cc1C(C)C ZINC000064348023 1408538469 /nfs/dbraw/zinc/53/84/69/1408538469.db2.gz QDLLVJWBAKOYIU-UHFFFAOYSA-N -1 1 376.438 3.217 20 30 GGEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(CC#N)C2CC2)cc1 ZINC000065895093 1408749471 /nfs/dbraw/zinc/74/94/71/1408749471.db2.gz XJDGHAFTRPDXMX-UHFFFAOYSA-N -1 1 387.436 3.063 20 30 GGEDMM CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1(C#N)CCC1 ZINC000066336778 1408816011 /nfs/dbraw/zinc/81/60/11/1408816011.db2.gz KWLOPMYEEVSXNO-UHFFFAOYSA-N -1 1 387.436 3.145 20 30 GGEDMM N#Cc1cccc(S[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826387434 1428359548 /nfs/dbraw/zinc/35/95/48/1428359548.db2.gz VDCNWMIPBXPVCB-QGZVFWFLSA-N -1 1 376.445 3.026 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000066931924 1408956117 /nfs/dbraw/zinc/95/61/17/1408956117.db2.gz DXYKBZAPVZHPAN-GFCCVEGCSA-N -1 1 395.488 3.215 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000067027337 1408985299 /nfs/dbraw/zinc/98/52/99/1408985299.db2.gz FQXQUDGXVMTGHG-LBPRGKRZSA-N -1 1 395.488 3.072 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1NC(=O)c1ccncc1 ZINC000067124296 1409014640 /nfs/dbraw/zinc/01/46/40/1409014640.db2.gz OSADDBCNMNCBFI-UHFFFAOYSA-N -1 1 392.440 3.315 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cn3cccn3)cc2)n1 ZINC000067895529 1409250731 /nfs/dbraw/zinc/25/07/31/1409250731.db2.gz HRJIWUYIHWNIAH-HNNXBMFYSA-N -1 1 380.429 3.055 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000067893888 1409251204 /nfs/dbraw/zinc/25/12/04/1409251204.db2.gz MKRFKZQFRMRQRI-AWEZNQCLSA-N -1 1 385.445 3.404 20 30 GGEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068076220 1409293135 /nfs/dbraw/zinc/29/31/35/1409293135.db2.gz ZHQXQIADBINKJY-UHFFFAOYSA-N -1 1 398.484 3.332 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)c1 ZINC000068226765 1409334853 /nfs/dbraw/zinc/33/48/53/1409334853.db2.gz SCVFRRDZGUROQO-UHFFFAOYSA-N -1 1 393.424 3.250 20 30 GGEDMM CCn1c(C2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000068452640 1409406659 /nfs/dbraw/zinc/40/66/59/1409406659.db2.gz XKNUFYXAEKKHPS-UHFFFAOYSA-N -1 1 387.534 3.331 20 30 GGEDMM CCc1c(C)sc([N-]C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c1C#N ZINC000068677508 1409466826 /nfs/dbraw/zinc/46/68/26/1409466826.db2.gz OQNOILQVTHNUMA-UHFFFAOYSA-N -1 1 395.506 3.413 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000072011127 1409837156 /nfs/dbraw/zinc/83/71/56/1409837156.db2.gz BZGBFCJONNKASY-CQSZACIVSA-N -1 1 389.452 3.248 20 30 GGEDMM C[C@H](C#N)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000078780442 1409936455 /nfs/dbraw/zinc/93/64/55/1409936455.db2.gz INBAFDLFOQFLJO-LLVKDONJSA-N -1 1 395.843 3.169 20 30 GGEDMM C=CCn1c(=O)c2ccc(C(=O)Nc3cc(C#N)ccc3O)cc2[n-]c1=S ZINC000176816938 1428479603 /nfs/dbraw/zinc/47/96/03/1428479603.db2.gz VWUCUXDSDJTIFN-UHFFFAOYSA-N -1 1 378.413 3.075 20 30 GGEDMM Cc1cccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)nn2)c1 ZINC000102120449 1410566716 /nfs/dbraw/zinc/56/67/16/1410566716.db2.gz MZKHHZUVWAEZBO-CQSZACIVSA-N -1 1 397.797 3.329 20 30 GGEDMM Cc1nn(Cc2ccccc2Cl)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000102500210 1410640252 /nfs/dbraw/zinc/64/02/52/1410640252.db2.gz NSDQUQDQEXPWSO-IBDYFIJFSA-N -1 1 398.846 3.430 20 30 GGEDMM C#Cc1cccc(N(CC)C(=O)CCc2c(C)nc(-c3cccnc3)[n-]c2=O)c1 ZINC000103101418 1410827836 /nfs/dbraw/zinc/82/78/36/1410827836.db2.gz RJKIPGGRDVRRMX-UHFFFAOYSA-N -1 1 386.455 3.107 20 30 GGEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000103442678 1410857117 /nfs/dbraw/zinc/85/71/17/1410857117.db2.gz UXIUMAQDFVRUCZ-AWEZNQCLSA-N -1 1 389.452 3.309 20 30 GGEDMM C=C(Br)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000109221543 1411719230 /nfs/dbraw/zinc/71/92/30/1411719230.db2.gz YMUDVZLLKFZYIE-UHFFFAOYSA-N -1 1 395.278 3.126 20 30 GGEDMM CCNC(=O)COc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1OC ZINC000110044813 1411827169 /nfs/dbraw/zinc/82/71/69/1411827169.db2.gz RKXWMMOSJRWMPL-MHWRWJLKSA-N -1 1 381.428 3.128 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)CC[C@@H]3CCCCO3)n2)n[n-]c1=S ZINC000111558534 1411991079 /nfs/dbraw/zinc/99/10/79/1411991079.db2.gz CNKYSKWUSFVQDM-ZDUSSCGKSA-N -1 1 393.538 3.462 20 30 GGEDMM N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667626 1412010867 /nfs/dbraw/zinc/01/08/67/1412010867.db2.gz SFNWTMLHXNITHI-UHFFFAOYSA-N -1 1 378.837 3.375 20 30 GGEDMM N#CCOc1cccc(CNC(=O)CCn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000113441687 1412306553 /nfs/dbraw/zinc/30/65/53/1412306553.db2.gz JHZWHEFSYMOHKF-UHFFFAOYSA-N -1 1 399.501 3.278 20 30 GGEDMM N#CC(=C([O-])c1ccc(N2CCNC2=O)cc1)c1nc(-c2ccncc2)cs1 ZINC000114620818 1412479861 /nfs/dbraw/zinc/47/98/61/1412479861.db2.gz ATBUOZHMUYBLQC-MRXNPFEDSA-N -1 1 389.440 3.225 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-n2cnc3ccccc32)nc1 ZINC000114850107 1412541661 /nfs/dbraw/zinc/54/16/61/1412541661.db2.gz FJLFDPZLGNSXKC-UHFFFAOYSA-N -1 1 389.440 3.401 20 30 GGEDMM CCOc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)ccc1OC ZINC000736627031 1428667827 /nfs/dbraw/zinc/66/78/27/1428667827.db2.gz XHJHPZIUZRQELZ-VQHVLOKHSA-N -1 1 393.447 3.226 20 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1413348965 /nfs/dbraw/zinc/34/89/65/1413348965.db2.gz OIHAQLIEYDRAIP-KRWDZBQOSA-N -1 1 376.409 3.331 20 30 GGEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc21 ZINC000119517773 1413473553 /nfs/dbraw/zinc/47/35/53/1413473553.db2.gz WANHNPSNVYHWKT-HNNXBMFYSA-N -1 1 386.371 3.157 20 30 GGEDMM CC(C)CCN(CCC#N)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820076625 1428738274 /nfs/dbraw/zinc/73/82/74/1428738274.db2.gz PLYHQTSRQQJQCJ-UHFFFAOYSA-N -1 1 393.398 3.262 20 30 GGEDMM N#Cc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)s1 ZINC000822823647 1428759736 /nfs/dbraw/zinc/75/97/36/1428759736.db2.gz WKNOHPAAMJAYOC-UHFFFAOYSA-N -1 1 392.366 3.005 20 30 GGEDMM CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000120794125 1413904834 /nfs/dbraw/zinc/90/48/34/1413904834.db2.gz WUMRIUDTMDNUJR-UHFFFAOYSA-N -1 1 392.502 3.082 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1 ZINC000121054598 1413990364 /nfs/dbraw/zinc/99/03/64/1413990364.db2.gz DKJZCGZWMFZZDS-UHFFFAOYSA-N -1 1 385.489 3.003 20 30 GGEDMM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000121363021 1414095183 /nfs/dbraw/zinc/09/51/83/1414095183.db2.gz YUUMYBBIHPQMGQ-UHFFFAOYSA-N -1 1 389.286 3.425 20 30 GGEDMM CCCc1n[n-]c(=S)n1CC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000121466536 1414137204 /nfs/dbraw/zinc/13/72/04/1414137204.db2.gz OQBZZKPELGKCBZ-UHFFFAOYSA-N -1 1 398.517 3.451 20 30 GGEDMM Cc1ccc(C(=O)NC2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000121542150 1414169163 /nfs/dbraw/zinc/16/91/63/1414169163.db2.gz FWFUUCRCBBYYPZ-UHFFFAOYSA-N -1 1 389.864 3.213 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCC3=O)cc2)cc1Cl ZINC000121686526 1414223779 /nfs/dbraw/zinc/22/37/79/1414223779.db2.gz DTMFACWMJOLIEI-UHFFFAOYSA-N -1 1 389.864 3.135 20 30 GGEDMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000121850101 1414278382 /nfs/dbraw/zinc/27/83/82/1414278382.db2.gz VQULKDCBDWNWTM-UHFFFAOYSA-N -1 1 391.880 3.398 20 30 GGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000121967280 1414325996 /nfs/dbraw/zinc/32/59/96/1414325996.db2.gz QBOSRBNVJFLFOB-UHFFFAOYSA-N -1 1 385.420 3.091 20 30 GGEDMM Cc1ccccc1NC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000121990297 1414333253 /nfs/dbraw/zinc/33/32/53/1414333253.db2.gz RBMIJUCBWUFLES-ZDUSSCGKSA-N -1 1 378.457 3.418 20 30 GGEDMM CC[C@@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000122183193 1414381991 /nfs/dbraw/zinc/38/19/91/1414381991.db2.gz GYDSWWCTPNDHMK-HNNXBMFYSA-N -1 1 376.409 3.394 20 30 GGEDMM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2NC1=O ZINC000122282928 1414410779 /nfs/dbraw/zinc/41/07/79/1414410779.db2.gz WPJKONWVNYQCTA-YPMHNXCESA-N -1 1 376.441 3.496 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1OCC(F)(F)F ZINC000122326471 1414424631 /nfs/dbraw/zinc/42/46/31/1414424631.db2.gz QUNJVFCKRBRMAT-UHFFFAOYSA-N -1 1 386.351 3.309 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000177619976 1428813146 /nfs/dbraw/zinc/81/31/46/1428813146.db2.gz QKPHEHQEOKKBRE-UHFFFAOYSA-N -1 1 389.286 3.425 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1OC ZINC000177619923 1428813265 /nfs/dbraw/zinc/81/32/65/1428813265.db2.gz JIICUBKMUJHIKX-UHFFFAOYSA-N -1 1 386.351 3.395 20 30 GGEDMM Cc1ccnc2nc(C(=O)[N-]c3sc4c(c3C#N)-c3ccccc3CC4)nn21 ZINC000122609748 1414516255 /nfs/dbraw/zinc/51/62/55/1414516255.db2.gz NYJSQENXZXEUQD-UHFFFAOYSA-N -1 1 386.440 3.384 20 30 GGEDMM N#C[C@@H](C(=O)c1cccc2c1OCO2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123225589 1414672802 /nfs/dbraw/zinc/67/28/02/1414672802.db2.gz BIBDWCCDCZXMAY-LBPRGKRZSA-N -1 1 393.424 3.082 20 30 GGEDMM N#C[C@H](C(=O)c1cccc2c1OCO2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123225393 1414672895 /nfs/dbraw/zinc/67/28/95/1414672895.db2.gz BIBDWCCDCZXMAY-GFCCVEGCSA-N -1 1 393.424 3.082 20 30 GGEDMM CCCCc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])cc2[nH]1 ZINC000123272208 1414684056 /nfs/dbraw/zinc/68/40/56/1414684056.db2.gz OIXZTAJILFLTKX-UHFFFAOYSA-N -1 1 399.432 3.486 20 30 GGEDMM CC(C)(C)c1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n[nH]1 ZINC000123478702 1414746936 /nfs/dbraw/zinc/74/69/36/1414746936.db2.gz MMMBBJPTELHPIC-NSHDSACASA-N -1 1 395.488 3.374 20 30 GGEDMM COc1ccc([C@@H](C#N)N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000123517360 1414759717 /nfs/dbraw/zinc/75/97/17/1414759717.db2.gz ASVSPVJDBTWOLG-GOSISDBHSA-N -1 1 385.851 3.077 20 30 GGEDMM N#Cc1ccc(OC2CCC([N-]S(=O)(=O)c3cc4ccccc4o3)CC2)nc1 ZINC000123874553 1414840118 /nfs/dbraw/zinc/84/01/18/1414840118.db2.gz BXJMYKJTFPPKIA-UHFFFAOYSA-N -1 1 397.456 3.368 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000123893262 1414844571 /nfs/dbraw/zinc/84/45/71/1414844571.db2.gz UBSYLIZQTBMEQT-NSHDSACASA-N -1 1 388.836 3.301 20 30 GGEDMM CSc1nc(C)c(CCC(=O)[C@@H](C#N)c2nc(C(C)C)cs2)c(=O)[n-]1 ZINC000177777212 1428856179 /nfs/dbraw/zinc/85/61/79/1428856179.db2.gz WXMHNJRIFWYYFF-GFCCVEGCSA-N -1 1 376.507 3.189 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2C(C)(C)C)c(=O)o1 ZINC000124876949 1415065269 /nfs/dbraw/zinc/06/52/69/1415065269.db2.gz ICFNXRGHBGTCDC-GNISGLHKSA-N -1 1 378.428 3.398 20 30 GGEDMM COc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC000125063087 1415102308 /nfs/dbraw/zinc/10/23/08/1415102308.db2.gz TZQDAXGFJQKNRM-CQSZACIVSA-N -1 1 378.413 3.175 20 30 GGEDMM Cn1c(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc2ccccc21 ZINC000125387969 1415184614 /nfs/dbraw/zinc/18/46/14/1415184614.db2.gz HFRWKMXVMSOZEM-HNNXBMFYSA-N -1 1 383.415 3.179 20 30 GGEDMM C[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000125781860 1415279065 /nfs/dbraw/zinc/27/90/65/1415279065.db2.gz ZPAOTFNIAKDYPM-NSHDSACASA-N -1 1 397.378 3.148 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(N2CCCC2)c1 ZINC000126286024 1415404315 /nfs/dbraw/zinc/40/43/15/1415404315.db2.gz OCZHRNIHQKBWMB-CYBMUJFWSA-N -1 1 391.443 3.476 20 30 GGEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)s1 ZINC000126821622 1415571129 /nfs/dbraw/zinc/57/11/29/1415571129.db2.gz PHJGXDMMCHKZLY-UHFFFAOYSA-N -1 1 393.490 3.120 20 30 GGEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000824293431 1428988755 /nfs/dbraw/zinc/98/87/55/1428988755.db2.gz LNZCDZRQKOZUTP-UHFFFAOYSA-N -1 1 386.459 3.473 20 30 GGEDMM CC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000127515308 1415803767 /nfs/dbraw/zinc/80/37/67/1415803767.db2.gz DRGIAWQUGKAXBD-GOSISDBHSA-N -1 1 375.425 3.049 20 30 GGEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127686854 1415833223 /nfs/dbraw/zinc/83/32/23/1415833223.db2.gz RVGAALTXVHJVLE-CYBMUJFWSA-N -1 1 393.384 3.074 20 30 GGEDMM CCOc1ccc([N+](=O)[O-])cc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825643252 1429015405 /nfs/dbraw/zinc/01/54/05/1429015405.db2.gz JLXPVIGIKMNYPY-UHFFFAOYSA-N -1 1 387.787 3.273 20 30 GGEDMM Cc1cc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(C#N)c1 ZINC000826261126 1429023711 /nfs/dbraw/zinc/02/37/11/1429023711.db2.gz RWWMXHWYWSPGBA-AWEZNQCLSA-N -1 1 399.414 3.151 20 30 GGEDMM CCN(CC#N)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736511377 1429035088 /nfs/dbraw/zinc/03/50/88/1429035088.db2.gz HOUBWBFDJOBZTC-UHFFFAOYSA-N -1 1 382.811 3.298 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2c[nH]nc2-c2ccccc2F)o1 ZINC000824280801 1429067796 /nfs/dbraw/zinc/06/77/96/1429067796.db2.gz UTCJDTMKLIEDAG-UHFFFAOYSA-N -1 1 395.402 3.028 20 30 GGEDMM CC(C)n1nccc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000130122860 1416322356 /nfs/dbraw/zinc/32/23/56/1416322356.db2.gz IWNMQQAYCXZSAK-GFCCVEGCSA-N -1 1 381.461 3.131 20 30 GGEDMM N#C[C@@H](C(=O)C1CCSCC1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737670480 1429089595 /nfs/dbraw/zinc/08/95/95/1429089595.db2.gz CBYKFAIZZRZFSW-AWEZNQCLSA-N -1 1 396.501 3.310 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1OCC1CCOCC1 ZINC000130482768 1416385856 /nfs/dbraw/zinc/38/58/56/1416385856.db2.gz MCITUUUZJBPTJO-UHFFFAOYSA-N -1 1 386.473 3.473 20 30 GGEDMM CSc1[n-]c(=O)c(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1C#N ZINC000130896582 1416477503 /nfs/dbraw/zinc/47/75/03/1416477503.db2.gz TUWSSOFDWMMOLC-UHFFFAOYSA-N -1 1 391.412 3.357 20 30 GGEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(-c2ccccn2)n1 ZINC000131223878 1416525979 /nfs/dbraw/zinc/52/59/79/1416525979.db2.gz WQIVKCRWWBQIRC-LBPRGKRZSA-N -1 1 378.413 3.175 20 30 GGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccn3)n2)cc1 ZINC000131236930 1416527955 /nfs/dbraw/zinc/52/79/55/1416527955.db2.gz MZKXYAQHHRRWRC-AWEZNQCLSA-N -1 1 378.413 3.175 20 30 GGEDMM C=C(C)COCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000131979308 1416665166 /nfs/dbraw/zinc/66/51/66/1416665166.db2.gz FGCXBRHPTKVEHK-UHFFFAOYSA-N -1 1 391.449 3.400 20 30 GGEDMM CCN(CCC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000133391674 1416885098 /nfs/dbraw/zinc/88/50/98/1416885098.db2.gz BISHIPBIEPDWGT-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(C#N)cc1Br ZINC000825977114 1429144505 /nfs/dbraw/zinc/14/45/05/1429144505.db2.gz XNRWWFCSOJCLNE-UHFFFAOYSA-N -1 1 383.253 3.133 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3)c2)c1 ZINC000134674450 1417111149 /nfs/dbraw/zinc/11/11/49/1417111149.db2.gz BSZHNQNLJHBJBM-UHFFFAOYSA-N -1 1 391.452 3.289 20 30 GGEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000134853796 1417134750 /nfs/dbraw/zinc/13/47/50/1417134750.db2.gz GZWSEAWJUREXEG-UHFFFAOYSA-N -1 1 389.496 3.242 20 30 GGEDMM N#C[C@@H](C(=O)CCc1ccncc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136145183 1417295450 /nfs/dbraw/zinc/29/54/50/1417295450.db2.gz JUNQXXOONGPNFM-AWEZNQCLSA-N -1 1 378.457 3.067 20 30 GGEDMM N#C[C@H](C(=O)[C@@H]1C[C@H]1c1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136144683 1417295645 /nfs/dbraw/zinc/29/56/45/1417295645.db2.gz GFOFWWNZGRSRBZ-RRFJBIMHSA-N -1 1 390.468 3.238 20 30 GGEDMM N#C[C@H](C(=O)CCc1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136143751 1417295718 /nfs/dbraw/zinc/29/57/18/1417295718.db2.gz LSNFJBRYVJHVPL-CQSZACIVSA-N -1 1 378.457 3.067 20 30 GGEDMM N#C[C@H](C(=O)CCc1ccncc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136145140 1417295774 /nfs/dbraw/zinc/29/57/74/1417295774.db2.gz JUNQXXOONGPNFM-CQSZACIVSA-N -1 1 378.457 3.067 20 30 GGEDMM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000736670424 1429175986 /nfs/dbraw/zinc/17/59/86/1429175986.db2.gz PKHVAVFDIJVZCB-JTQLQIEISA-N -1 1 382.449 3.077 20 30 GGEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccccn2)s1 ZINC000136650344 1417335461 /nfs/dbraw/zinc/33/54/61/1417335461.db2.gz FAZMQUGUDTZHSS-LBPRGKRZSA-N -1 1 378.413 3.175 20 30 GGEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(-c2ccc(C)n2C)n1 ZINC000136651961 1417335530 /nfs/dbraw/zinc/33/55/30/1417335530.db2.gz MMKKGEWOKWADTP-CYBMUJFWSA-N -1 1 394.456 3.427 20 30 GGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C#N)CC2)c1 ZINC000147046066 1417737148 /nfs/dbraw/zinc/73/71/48/1417737148.db2.gz UJWZNNFBNSGSOY-UHFFFAOYSA-N -1 1 397.500 3.480 20 30 GGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000178956760 1429229088 /nfs/dbraw/zinc/22/90/88/1429229088.db2.gz SYNWQDXDLSNRQE-UHFFFAOYSA-N -1 1 377.425 3.411 20 30 GGEDMM C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488869 1429262784 /nfs/dbraw/zinc/26/27/84/1429262784.db2.gz VVOITYMBPQGHRQ-AUUYWEPGSA-N -1 1 388.431 3.012 20 30 GGEDMM C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819710013 1429280867 /nfs/dbraw/zinc/28/08/67/1429280867.db2.gz VQRUPLCZNBIJIB-UHFFFAOYSA-N -1 1 375.413 3.350 20 30 GGEDMM COc1cc(C(C)=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1O ZINC000821707732 1429292678 /nfs/dbraw/zinc/29/26/78/1429292678.db2.gz DGKODLIBKVOFFX-UHFFFAOYSA-N -1 1 392.341 3.436 20 30 GGEDMM C=CCC(CC=C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823888206 1429300952 /nfs/dbraw/zinc/30/09/52/1429300952.db2.gz HQXHISCUTXWTEF-UHFFFAOYSA-N -1 1 383.843 3.413 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NC(C[C@H]2CCOC2)c2ccccc2)n1 ZINC000826350168 1429339611 /nfs/dbraw/zinc/33/96/11/1429339611.db2.gz KUNBKEFXJQOASR-GFCCVEGCSA-N -1 1 383.843 3.158 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(NN=C(C[C@H]2CCOC2)c2ccccc2)n1 ZINC000826350168 1429339615 /nfs/dbraw/zinc/33/96/15/1429339615.db2.gz KUNBKEFXJQOASR-GFCCVEGCSA-N -1 1 383.843 3.158 20 30 GGEDMM N#CCc1ccnc(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822814937 1429348134 /nfs/dbraw/zinc/34/81/34/1429348134.db2.gz LSQHUKDUGYKAOG-UHFFFAOYSA-N -1 1 396.414 3.324 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc(C)c1OC(F)F ZINC000737236463 1429349205 /nfs/dbraw/zinc/34/92/05/1429349205.db2.gz LNSAALJJRUJEGG-UHFFFAOYSA-N -1 1 384.346 3.209 20 30 GGEDMM C=CCN(C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(C)C ZINC000735416392 1429353401 /nfs/dbraw/zinc/35/34/01/1429353401.db2.gz IEYNDSSJIHMXIW-UHFFFAOYSA-N -1 1 377.448 3.482 20 30 GGEDMM COc1ccc(CNc2ccc(-c3nnn[n-]3)cc2Br)cc1C#N ZINC000826203777 1429359472 /nfs/dbraw/zinc/35/94/72/1429359472.db2.gz FUYPZGIJLDHISG-UHFFFAOYSA-N -1 1 385.225 3.122 20 30 GGEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735419750 1429391811 /nfs/dbraw/zinc/39/18/11/1429391811.db2.gz ZPSXQAXJMDQPNP-UHFFFAOYSA-N -1 1 395.916 3.277 20 30 GGEDMM N#CC1(NC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CCCC1 ZINC000737680012 1429417366 /nfs/dbraw/zinc/41/73/66/1429417366.db2.gz ULTFREGTKCIDDW-UHFFFAOYSA-N -1 1 392.394 3.364 20 30 GGEDMM N#Cc1ccsc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737728260 1429444027 /nfs/dbraw/zinc/44/40/27/1429444027.db2.gz KLTDIPQIMXQACN-UHFFFAOYSA-N -1 1 389.400 3.239 20 30 GGEDMM C=CCOCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735438211 1429480949 /nfs/dbraw/zinc/48/09/49/1429480949.db2.gz YCCIWJNDLDVQGF-UHFFFAOYSA-N -1 1 383.839 3.256 20 30 GGEDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc(C#N)cc3[N+](=O)[O-])[nH]n2)c1 ZINC000153220208 1422398291 /nfs/dbraw/zinc/39/82/91/1422398291.db2.gz UZHUVORUGUNPDW-UHFFFAOYSA-N -1 1 397.416 3.274 20 30 GGEDMM C=CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccncc1 ZINC000735448614 1429608334 /nfs/dbraw/zinc/60/83/34/1429608334.db2.gz LHLYQASPVLRMJT-UHFFFAOYSA-N -1 1 394.439 3.138 20 30 GGEDMM CCN(Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435268 1429628260 /nfs/dbraw/zinc/62/82/60/1429628260.db2.gz RQLFJFGNMURFIJ-AWEZNQCLSA-N -1 1 390.447 3.108 20 30 GGEDMM C=CCCOCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000155345821 1423326430 /nfs/dbraw/zinc/32/64/30/1423326430.db2.gz LZKJWSXDFYBHFW-UHFFFAOYSA-N -1 1 388.489 3.118 20 30 GGEDMM N#Cc1ccccc1-c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000826387040 1423343355 /nfs/dbraw/zinc/34/33/55/1423343355.db2.gz CZBKQLDYGHBIJR-UHFFFAOYSA-N -1 1 398.386 3.321 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccc(C#N)cc1 ZINC000737203936 1423405710 /nfs/dbraw/zinc/40/57/10/1423405710.db2.gz WRMLBLPRDZCKOH-IZZDOVSWSA-N -1 1 381.399 3.129 20 30 GGEDMM N#C[C@@H](C(=O)c1ccc(-c2nnn[n-]2)nc1)c1nc2cc(Cl)ccc2s1 ZINC000737673046 1423463553 /nfs/dbraw/zinc/46/35/53/1423463553.db2.gz MOWNIOTXKSGRTD-JTQLQIEISA-N -1 1 381.808 3.015 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(C(C)C)c1 ZINC000819745396 1423491834 /nfs/dbraw/zinc/49/18/34/1423491834.db2.gz AYYYQPRLBJKSAT-UHFFFAOYSA-N -1 1 397.504 3.367 20 30 GGEDMM N#Cc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(Cl)c1 ZINC000737722263 1429648276 /nfs/dbraw/zinc/64/82/76/1429648276.db2.gz RKJBPVJKQWRIRA-UHFFFAOYSA-N -1 1 379.767 3.021 20 30 GGEDMM C#CCCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000155810370 1423544342 /nfs/dbraw/zinc/54/43/42/1423544342.db2.gz NTJLVAGGNTWQBK-UHFFFAOYSA-N -1 1 386.473 3.029 20 30 GGEDMM N#Cc1cc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)nc2ccccc12 ZINC000737704850 1423607485 /nfs/dbraw/zinc/60/74/85/1423607485.db2.gz KZPJYXKIZLAOBH-UHFFFAOYSA-N -1 1 397.442 3.334 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)nnn1-c1cccc(Cl)c1 ZINC000822015491 1429656509 /nfs/dbraw/zinc/65/65/09/1429656509.db2.gz KSXBSJXXGIJANB-AATRIKPKSA-N -1 1 397.851 3.367 20 30 GGEDMM C#CCOc1cccc([C@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735380541 1423626240 /nfs/dbraw/zinc/62/62/40/1423626240.db2.gz IZUZTZLJCOCUFV-HNNXBMFYSA-N -1 1 376.416 3.116 20 30 GGEDMM N#CCCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826381457 1423631737 /nfs/dbraw/zinc/63/17/37/1423631737.db2.gz MPQGWKIERMGMAO-UHFFFAOYSA-N -1 1 382.811 3.346 20 30 GGEDMM C#CCSCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000156117516 1423679245 /nfs/dbraw/zinc/67/92/45/1423679245.db2.gz YDLWWEYIAGSONQ-UHFFFAOYSA-N -1 1 390.411 3.019 20 30 GGEDMM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000736184259 1423767672 /nfs/dbraw/zinc/76/76/72/1423767672.db2.gz XDFAGZJKPKLDLQ-CYBMUJFWSA-N -1 1 376.420 3.268 20 30 GGEDMM C=C(C)CN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735398644 1423777538 /nfs/dbraw/zinc/77/75/38/1423777538.db2.gz MWJNVMHRBPPPPV-UHFFFAOYSA-N -1 1 379.424 3.484 20 30 GGEDMM N#Cc1ccc(OCCNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000822832843 1423822727 /nfs/dbraw/zinc/82/27/27/1423822727.db2.gz GLAOVLHKZPGTRN-UHFFFAOYSA-N -1 1 393.357 3.056 20 30 GGEDMM C#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000156569903 1423829841 /nfs/dbraw/zinc/82/98/41/1423829841.db2.gz QLFRUCMBSVGXIY-UHFFFAOYSA-N -1 1 388.464 3.468 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000129254713 1423908894 /nfs/dbraw/zinc/90/88/94/1423908894.db2.gz PRYODKWTPOWDEC-VZUCSPMQSA-N -1 1 377.404 3.092 20 30 GGEDMM C#CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@H]1CCc2ccccc21 ZINC000819702277 1423986619 /nfs/dbraw/zinc/98/66/19/1423986619.db2.gz WMLDYJNGVXVSAK-IBGZPJMESA-N -1 1 397.442 3.039 20 30 GGEDMM N#Cc1cccc(OCc2ccoc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000104367824 1423993335 /nfs/dbraw/zinc/99/33/35/1423993335.db2.gz MSWBWKFLGXXGJA-UHFFFAOYSA-N -1 1 386.371 3.163 20 30 GGEDMM Cc1cccc(N(CCC#N)C(=O)CNc2cccc(-c3nnn[n-]3)c2C)c1C ZINC000822309140 1424003631 /nfs/dbraw/zinc/00/36/31/1424003631.db2.gz NDPONGGFRMWGDM-UHFFFAOYSA-N -1 1 389.463 3.151 20 30 GGEDMM CCC[C@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nnn[n-]1 ZINC000136634944 1424011106 /nfs/dbraw/zinc/01/11/06/1424011106.db2.gz BXBOSODMXHAUNU-INIZCTEOSA-N -1 1 378.461 3.494 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cc1-c1nnn[n-]1 ZINC000821786604 1424049650 /nfs/dbraw/zinc/04/96/50/1424049650.db2.gz GNMIMYOZWSSKMD-XBXARRHUSA-N -1 1 389.415 3.001 20 30 GGEDMM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826256857 1424099356 /nfs/dbraw/zinc/09/93/56/1424099356.db2.gz CTAPBROMCJGFBJ-UHFFFAOYSA-N -1 1 397.398 3.486 20 30 GGEDMM C#CCCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000819693671 1424115569 /nfs/dbraw/zinc/11/55/69/1424115569.db2.gz VDBWCQOQDSYYSZ-UHFFFAOYSA-N -1 1 392.419 3.203 20 30 GGEDMM O=C1c2cc(Br)ccc2OC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823504654 1424179946 /nfs/dbraw/zinc/17/99/46/1424179946.db2.gz SMIIACVFRSDBMM-IZZDOVSWSA-N -1 1 375.207 3.307 20 30 GGEDMM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H](CCC)c2nnn[n-]2)s1 ZINC000819362901 1424199946 /nfs/dbraw/zinc/19/99/46/1424199946.db2.gz IDTXALVJYKDFIG-SNVBAGLBSA-N -1 1 386.934 3.009 20 30 GGEDMM N#Cc1ccc(Oc2cccc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000110786621 1424242370 /nfs/dbraw/zinc/24/23/70/1424242370.db2.gz PUONWJMYESUEQO-UHFFFAOYSA-N -1 1 396.410 3.461 20 30 GGEDMM C#Cc1cccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1 ZINC000819710007 1424303999 /nfs/dbraw/zinc/30/39/99/1424303999.db2.gz VLHXLQKZGRQHOX-RIYZIHGNSA-N -1 1 395.494 3.315 20 30 GGEDMM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1ccc(F)cc1 ZINC000158745004 1424332398 /nfs/dbraw/zinc/33/23/98/1424332398.db2.gz VFHOVDNCQCYTSC-UHFFFAOYSA-N -1 1 388.390 3.431 20 30 GGEDMM C=CCCCN(C)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823893889 1424359616 /nfs/dbraw/zinc/35/96/16/1424359616.db2.gz APCJUUPKHAOJMG-UHFFFAOYSA-N -1 1 386.847 3.136 20 30 GGEDMM N#Cc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(F)c1 ZINC000822826470 1424387228 /nfs/dbraw/zinc/38/72/28/1424387228.db2.gz ZXRMXALCXZISSR-UHFFFAOYSA-N -1 1 375.289 3.342 20 30 GGEDMM N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3O)c2)cc1 ZINC000822833556 1424392632 /nfs/dbraw/zinc/39/26/32/1424392632.db2.gz RSYHUUQWMRGNJT-UHFFFAOYSA-N -1 1 398.382 3.489 20 30 GGEDMM C#CC[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CC1 ZINC000819693633 1424393684 /nfs/dbraw/zinc/39/36/84/1424393684.db2.gz URAWCQIQPQKRSK-QGZVFWFLSA-N -1 1 375.388 3.013 20 30 GGEDMM Cc1cncc(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000822399454 1424435062 /nfs/dbraw/zinc/43/50/62/1424435062.db2.gz ILTUXTQXSNVLBP-HNNXBMFYSA-N -1 1 387.428 3.184 20 30 GGEDMM Cc1c(C#N)cccc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822015141 1424457899 /nfs/dbraw/zinc/45/78/99/1424457899.db2.gz FDPJDHJPTJDNCG-UHFFFAOYSA-N -1 1 397.398 3.486 20 30 GGEDMM C=C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882811 1424489780 /nfs/dbraw/zinc/48/97/80/1424489780.db2.gz DKSPROVQEGHZNZ-LSDHHAIUSA-N -1 1 391.431 3.097 20 30 GGEDMM C#CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OCC ZINC000823856798 1424519488 /nfs/dbraw/zinc/51/94/88/1424519488.db2.gz YMJICWXDKZKRQX-UITAMQMPSA-N -1 1 392.390 3.313 20 30 GGEDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1CC ZINC000160047104 1424567148 /nfs/dbraw/zinc/56/71/48/1424567148.db2.gz YRYAOGRHSOVTLU-UHFFFAOYSA-N -1 1 395.488 3.252 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)c(=O)o1 ZINC000160347710 1424596995 /nfs/dbraw/zinc/59/69/95/1424596995.db2.gz OYIPRKODYGHEMJ-CFGKVWFZSA-N -1 1 392.455 3.457 20 30 GGEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820154981 1424615745 /nfs/dbraw/zinc/61/57/45/1424615745.db2.gz GCJJABGESGOOQE-UHFFFAOYSA-N -1 1 384.346 3.056 20 30 GGEDMM CN(Cn1ccc(-c2ccc(C#N)cc2)n1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825999095 1424618094 /nfs/dbraw/zinc/61/80/94/1424618094.db2.gz LKBKSZWCFJFLQX-UHFFFAOYSA-N -1 1 390.838 3.349 20 30 GGEDMM CC(C)(C)c1cc(NC(=O)Cc2ccc(OCC#N)cc2)c(-c2nnn[n-]2)s1 ZINC000824130860 1424641039 /nfs/dbraw/zinc/64/10/39/1424641039.db2.gz QARLBRNZCUKXGL-UHFFFAOYSA-N -1 1 396.476 3.309 20 30 GGEDMM Cc1oc(-c2ccccc2F)nc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737547556 1424654472 /nfs/dbraw/zinc/65/44/72/1424654472.db2.gz KSLDLMZFHODDOM-UHFFFAOYSA-N -1 1 389.350 3.093 20 30 GGEDMM CCC(CC)CN(CCC#N)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000820893083 1424684596 /nfs/dbraw/zinc/68/45/96/1424684596.db2.gz JCTRVCAXQYQDBW-UHFFFAOYSA-N -1 1 389.891 3.110 20 30 GGEDMM CC(C)(C#N)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000180131760 1429751417 /nfs/dbraw/zinc/75/14/17/1429751417.db2.gz JDNHIUVLFMTSKH-UHFFFAOYSA-N -1 1 376.409 3.333 20 30 GGEDMM N#CCCCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737686869 1424769855 /nfs/dbraw/zinc/76/98/55/1424769855.db2.gz FEYCULOHZYGLPC-UHFFFAOYSA-N -1 1 377.408 3.474 20 30 GGEDMM CC(C)(C#N)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000180140078 1429755272 /nfs/dbraw/zinc/75/52/72/1429755272.db2.gz WLUCYNMJGHGXJK-UHFFFAOYSA-N -1 1 394.399 3.472 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000162166413 1424821831 /nfs/dbraw/zinc/82/18/31/1424821831.db2.gz QSJFVFIFOLRYII-SFHVURJKSA-N -1 1 375.425 3.049 20 30 GGEDMM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(F)c(-c4nnn[n-]4)c3)cc21 ZINC000824784117 1424849180 /nfs/dbraw/zinc/84/91/80/1424849180.db2.gz NPNQEJQYBYYZBS-XBXARRHUSA-N -1 1 377.379 3.132 20 30 GGEDMM CC(N=Nc1ncnc2sc3c(c21)CCC3)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962633 1424861615 /nfs/dbraw/zinc/86/16/15/1424861615.db2.gz NTNDSJDSHZBZKA-UHFFFAOYSA-N -1 1 394.439 3.335 20 30 GGEDMM CC(=NNc1ncnc2sc3c(c21)CCC3)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962633 1424861628 /nfs/dbraw/zinc/86/16/28/1424861628.db2.gz NTNDSJDSHZBZKA-UHFFFAOYSA-N -1 1 394.439 3.335 20 30 GGEDMM CC(=NNc1ncnc2sc3c(c21)CCC3)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962633 1424861640 /nfs/dbraw/zinc/86/16/40/1424861640.db2.gz NTNDSJDSHZBZKA-UHFFFAOYSA-N -1 1 394.439 3.335 20 30 GGEDMM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1 ZINC000819709333 1424880114 /nfs/dbraw/zinc/88/01/14/1424880114.db2.gz DFEMCHQPMOZWAR-NTEUORMPSA-N -1 1 395.494 3.315 20 30 GGEDMM CCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367414 1429761111 /nfs/dbraw/zinc/76/11/11/1429761111.db2.gz PRFNJWBRNLXRRG-YFHOEESVSA-N -1 1 378.823 3.458 20 30 GGEDMM N#CCOc1ccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000737698551 1424947765 /nfs/dbraw/zinc/94/77/65/1424947765.db2.gz ZZQFFRFUKPOIEN-UHFFFAOYSA-N -1 1 378.461 3.335 20 30 GGEDMM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc(C#N)c1 ZINC000820373845 1424957029 /nfs/dbraw/zinc/95/70/29/1424957029.db2.gz JSYOPGHAAPVGQK-LBPRGKRZSA-N -1 1 378.440 3.178 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 ZINC000826243884 1424964101 /nfs/dbraw/zinc/96/41/01/1424964101.db2.gz ZKSKPBOYJQVRFK-HNNXBMFYSA-N -1 1 387.428 3.184 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735501946 1424968019 /nfs/dbraw/zinc/96/80/19/1424968019.db2.gz ASDISIGKHYCNMK-CYBMUJFWSA-N -1 1 378.461 3.300 20 30 GGEDMM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000822655383 1424971704 /nfs/dbraw/zinc/97/17/04/1424971704.db2.gz HDQVKDBIWQRZPS-UHFFFAOYSA-N -1 1 381.465 3.050 20 30 GGEDMM CC(C)Oc1ccccc1C=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820177815 1424979927 /nfs/dbraw/zinc/97/99/27/1424979927.db2.gz AYDXIRILHQIEIC-UHFFFAOYSA-N -1 1 376.420 3.457 20 30 GGEDMM N#CCCn1cc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)c2ccccc21 ZINC000737694935 1424979962 /nfs/dbraw/zinc/97/99/62/1424979962.db2.gz QIQCQHCKTHPSQS-UHFFFAOYSA-N -1 1 390.378 3.136 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823953795 1425064679 /nfs/dbraw/zinc/06/46/79/1425064679.db2.gz QLFCEAPSIDOBQG-ZDUSSCGKSA-N -1 1 379.424 3.119 20 30 GGEDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000825626436 1425107175 /nfs/dbraw/zinc/10/71/75/1425107175.db2.gz LVGCVSBNTLTNHQ-LBPRGKRZSA-N -1 1 393.407 3.200 20 30 GGEDMM C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735426181 1425128500 /nfs/dbraw/zinc/12/85/00/1425128500.db2.gz LNKMBWOBJFZAFG-UHFFFAOYSA-N -1 1 384.390 3.043 20 30 GGEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cn2)c1 ZINC000822837371 1425149811 /nfs/dbraw/zinc/14/98/11/1425149811.db2.gz LPZDGSOMZCBRSB-UHFFFAOYSA-N -1 1 389.400 3.239 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000820001704 1425178070 /nfs/dbraw/zinc/17/80/70/1425178070.db2.gz ZHBLOLVJBKEMKC-UHFFFAOYSA-N -1 1 382.811 3.188 20 30 GGEDMM C=CCN(CCc1ccco1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000823904275 1425180307 /nfs/dbraw/zinc/18/03/07/1425180307.db2.gz ZACQKPAVCYMTCA-UHFFFAOYSA-N -1 1 383.456 3.279 20 30 GGEDMM Clc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000822573766 1425295097 /nfs/dbraw/zinc/29/50/97/1425295097.db2.gz HVUMOMORGUDOLH-UHFFFAOYSA-N -1 1 391.660 3.406 20 30 GGEDMM CC[C@H](C#N)Oc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)ccc1OC ZINC000820843231 1425307066 /nfs/dbraw/zinc/30/70/66/1425307066.db2.gz VUXYAEDLBJIIIR-CQSZACIVSA-N -1 1 382.399 3.307 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736309796 1425308296 /nfs/dbraw/zinc/30/82/96/1425308296.db2.gz RFQLHDYSHATWPW-AWEZNQCLSA-N -1 1 393.476 3.034 20 30 GGEDMM CC(C)C[C@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735756485 1425308686 /nfs/dbraw/zinc/30/86/86/1425308686.db2.gz OZJSVFSHCNQFKN-QGZVFWFLSA-N -1 1 390.447 3.114 20 30 GGEDMM N#Cc1cccc(C2(NC(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)CC2)c1 ZINC000826386369 1425350491 /nfs/dbraw/zinc/35/04/91/1425350491.db2.gz BAPNSUDENQVSEY-UHFFFAOYSA-N -1 1 379.811 3.203 20 30 GGEDMM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824305067 1425353821 /nfs/dbraw/zinc/35/38/21/1425353821.db2.gz KLCDMJHGKOKXAR-FMIVXFBMSA-N -1 1 376.420 3.293 20 30 GGEDMM C[C@@H](C#N)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000824034807 1425412709 /nfs/dbraw/zinc/41/27/09/1425412709.db2.gz PKAGOPIVVYPOTN-NSHDSACASA-N -1 1 386.362 3.371 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000823909877 1425430494 /nfs/dbraw/zinc/43/04/94/1425430494.db2.gz SIJPLZRJSBLXTF-VQHVLOKHSA-N -1 1 380.839 3.143 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H](SC)C1 ZINC000735420402 1425487325 /nfs/dbraw/zinc/48/73/25/1425487325.db2.gz PGWYSSPTMORUHX-IRXDYDNUSA-N -1 1 386.525 3.239 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(OC(F)F)cc1 ZINC000737807217 1425495772 /nfs/dbraw/zinc/49/57/72/1425495772.db2.gz PALWGNSEVHIYSW-QPJJXVBHSA-N -1 1 382.330 3.012 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)c1ccncc1 ZINC000819743475 1425509897 /nfs/dbraw/zinc/50/98/97/1425509897.db2.gz KFZOOLMFAVKZFQ-SFHVURJKSA-N -1 1 377.452 3.111 20 30 GGEDMM N#Cc1ccc(NC(=O)c2sccc2SC(F)F)cc1-c1nnn[n-]1 ZINC000737720065 1425556330 /nfs/dbraw/zinc/55/63/30/1425556330.db2.gz YDDTUBFDLUOJOB-UHFFFAOYSA-N -1 1 378.389 3.367 20 30 GGEDMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736236388 1425605760 /nfs/dbraw/zinc/60/57/60/1425605760.db2.gz JAVJPBYOBKWQEP-RPVQJOFSSA-N -1 1 382.468 3.154 20 30 GGEDMM COc1ccc(CN=Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826191094 1425639738 /nfs/dbraw/zinc/63/97/38/1425639738.db2.gz WWPGLBIYKHVQSR-UHFFFAOYSA-N -1 1 377.433 3.445 20 30 GGEDMM C[C@@H](C#N)CNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824034052 1425677215 /nfs/dbraw/zinc/67/72/15/1425677215.db2.gz GJNOWEFZKCBYEX-UONOGXRCSA-N -1 1 375.436 3.054 20 30 GGEDMM N#CCCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000171594837 1425752577 /nfs/dbraw/zinc/75/25/77/1425752577.db2.gz WXOFEBAJMPJFMC-UHFFFAOYSA-N -1 1 375.425 3.050 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCCCC#N ZINC000171594606 1425752768 /nfs/dbraw/zinc/75/27/68/1425752768.db2.gz QTBKXOUUIPPBOP-UHFFFAOYSA-N -1 1 389.452 3.359 20 30 GGEDMM COc1cc2c(c(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)c1)O[C@@H](C)C2 ZINC000821713438 1425754188 /nfs/dbraw/zinc/75/41/88/1425754188.db2.gz XNLYUMWCHDHDJX-CJAAZZPWSA-N -1 1 388.427 3.411 20 30 GGEDMM COc1ccc(C=C2COc3c(C)cc(Cl)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737084745 1425936088 /nfs/dbraw/zinc/93/60/88/1425936088.db2.gz UUPHGYHJVYBENZ-WUXMJOGZSA-N -1 1 382.807 3.496 20 30 GGEDMM N#Cc1cc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737704468 1425979204 /nfs/dbraw/zinc/97/92/04/1425979204.db2.gz IWZQMDOCPUMMMB-HXUWFJFHSA-N -1 1 396.410 3.497 20 30 GGEDMM C=CCCSc1nc2ccccc2c(=O)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735415889 1426048915 /nfs/dbraw/zinc/04/89/15/1426048915.db2.gz AKGFGFMAEOJQTL-UHFFFAOYSA-N -1 1 376.445 3.234 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(CC(C)C)c1CC ZINC000823914157 1426068005 /nfs/dbraw/zinc/06/80/05/1426068005.db2.gz BTZLVJANOAVTFT-UHFFFAOYSA-N -1 1 393.495 3.110 20 30 GGEDMM C=CCC(CC=C)C(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000819734872 1426098081 /nfs/dbraw/zinc/09/80/81/1426098081.db2.gz WBNDFTLUZKPZPT-UHFFFAOYSA-N -1 1 393.241 3.312 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCC2)cc1 ZINC000172590619 1426101831 /nfs/dbraw/zinc/10/18/31/1426101831.db2.gz ZUZPOOIOJOWGQL-UHFFFAOYSA-N -1 1 383.473 3.340 20 30 GGEDMM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000172590815 1426102303 /nfs/dbraw/zinc/10/23/03/1426102303.db2.gz KEDVUFSKIYTQHB-UHFFFAOYSA-N -1 1 396.428 3.216 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCC3)cc1 ZINC000172591842 1426103740 /nfs/dbraw/zinc/10/37/40/1426103740.db2.gz BYLKHWFVRZHVDN-UHFFFAOYSA-N -1 1 393.472 3.262 20 30 GGEDMM C=CCc1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1OC ZINC000735442440 1426118968 /nfs/dbraw/zinc/11/89/68/1426118968.db2.gz BLJWXOLYBNBPBM-UHFFFAOYSA-N -1 1 397.410 3.028 20 30 GGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3cnccn3)n2)cc1 ZINC000172667837 1426135498 /nfs/dbraw/zinc/13/54/98/1426135498.db2.gz APJJCGQIHXAXDK-AWEZNQCLSA-N -1 1 377.429 3.124 20 30 GGEDMM CCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)c(Cl)c1 ZINC000825366951 1426137232 /nfs/dbraw/zinc/13/72/32/1426137232.db2.gz HQFRTOKUXIRLBX-NTMALXAHSA-N -1 1 378.823 3.458 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820031138 1426144615 /nfs/dbraw/zinc/14/46/15/1426144615.db2.gz AILJRZKWXFEOHM-QGZVFWFLSA-N -1 1 396.838 3.434 20 30 GGEDMM CCn1c2ccccc2nc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000736720178 1426214406 /nfs/dbraw/zinc/21/44/06/1426214406.db2.gz LJCJHWGNRLZMNB-UHFFFAOYSA-N -1 1 393.455 3.358 20 30 GGEDMM N#Cc1ccc(-n2ccc(NCc3cc(-c4nn[n-]n4)cs3)n2)c(Cl)c1 ZINC000826384544 1426215248 /nfs/dbraw/zinc/21/52/48/1426215248.db2.gz ZMIJYLHOWKJFAS-UHFFFAOYSA-N -1 1 382.840 3.251 20 30 GGEDMM N#Cc1cccc(Cl)c1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826386568 1426235422 /nfs/dbraw/zinc/23/54/22/1426235422.db2.gz JZNMNTDVVDAEOR-UHFFFAOYSA-N -1 1 376.811 3.394 20 30 GGEDMM C#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1 ZINC000172944061 1426278077 /nfs/dbraw/zinc/27/80/77/1426278077.db2.gz YKJBIOKSWHZMPU-UHFFFAOYSA-N -1 1 386.473 3.029 20 30 GGEDMM Cn1cc(C=C2Cc3c(cccc3F)C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360018 1426295127 /nfs/dbraw/zinc/29/51/27/1426295127.db2.gz VMMZNSPBVWGABJ-NTEUORMPSA-N -1 1 386.390 3.229 20 30 GGEDMM Cc1c(NC(=O)NCCSCc2ccccc2C#N)cccc1-c1nnn[n-]1 ZINC000822096042 1426308552 /nfs/dbraw/zinc/30/85/52/1426308552.db2.gz JFNGEHUBSQAKEF-UHFFFAOYSA-N -1 1 393.476 3.102 20 30 GGEDMM N#Cc1ccc(S[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(F)c1 ZINC000826385993 1426373780 /nfs/dbraw/zinc/37/37/80/1426373780.db2.gz KRNNWNMBRJMFMV-QGZVFWFLSA-N -1 1 394.435 3.165 20 30 GGEDMM Cc1ccc(SCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC000737369053 1426476367 /nfs/dbraw/zinc/47/63/67/1426476367.db2.gz QMBVDPBHFPIBTJ-UHFFFAOYSA-N -1 1 378.461 3.476 20 30 GGEDMM CC(C)(C=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000819976186 1426491045 /nfs/dbraw/zinc/49/10/45/1426491045.db2.gz PIBDWADKACTIHH-SFHVURJKSA-N -1 1 393.451 3.029 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCN(C)c2ccccc21 ZINC000823909606 1426554828 /nfs/dbraw/zinc/55/48/28/1426554828.db2.gz KXVDVBMOJNSYCT-IBGZPJMESA-N -1 1 388.475 3.005 20 30 GGEDMM COCCC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736977569 1426558462 /nfs/dbraw/zinc/55/84/62/1426558462.db2.gz XRJYXLXTSGCTQI-UHFFFAOYSA-N -1 1 387.419 3.144 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824034789 1426579217 /nfs/dbraw/zinc/57/92/17/1426579217.db2.gz PFXQFCSVAMELOL-CHWSQXEVSA-N -1 1 377.408 3.040 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)ccc1F ZINC000819772938 1426591512 /nfs/dbraw/zinc/59/15/12/1426591512.db2.gz NHMHEKCQDWZPLE-UHFFFAOYSA-N -1 1 389.232 3.282 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000823909659 1426614577 /nfs/dbraw/zinc/61/45/77/1426614577.db2.gz MOJKLGGLHVETRD-ZWKOTPCHSA-N -1 1 398.511 3.158 20 30 GGEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824754710 1426614917 /nfs/dbraw/zinc/61/49/17/1426614917.db2.gz JOWKMGCYPDQFBX-HWPZZCPQSA-N -1 1 378.889 3.055 20 30 GGEDMM N#C[C@@H](COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000822801748 1426643767 /nfs/dbraw/zinc/64/37/67/1426643767.db2.gz NVTMBGZXCORJQN-KRWDZBQOSA-N -1 1 393.472 3.026 20 30 GGEDMM CCC(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC000820833551 1426653762 /nfs/dbraw/zinc/65/37/62/1426653762.db2.gz YYYPQXDJZJFOSW-UHFFFAOYSA-N -1 1 382.472 3.345 20 30 GGEDMM Cc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000826294718 1426664422 /nfs/dbraw/zinc/66/44/22/1426664422.db2.gz ZTYIOBJVZJJBPG-BOPFTXTBSA-N -1 1 382.427 3.398 20 30 GGEDMM C#CC[C@@H](NC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837651 1426681468 /nfs/dbraw/zinc/68/14/68/1426681468.db2.gz FFIOJOBOOPBQFE-HXUWFJFHSA-N -1 1 386.459 3.329 20 30 GGEDMM C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455117 1426688390 /nfs/dbraw/zinc/68/83/90/1426688390.db2.gz DKLPHTWLWJPJHF-LLVKDONJSA-N -1 1 386.375 3.368 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OC ZINC000819759302 1426710211 /nfs/dbraw/zinc/71/02/11/1426710211.db2.gz SRFGHSVILCJNDU-PKNBQFBNSA-N -1 1 391.431 3.400 20 30 GGEDMM CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000825631587 1426721064 /nfs/dbraw/zinc/72/10/64/1426721064.db2.gz DHMCRIGGOMLMFG-ALCCZGGFSA-N -1 1 383.339 3.209 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000824035299 1426725631 /nfs/dbraw/zinc/72/56/31/1426725631.db2.gz WLEIOXPBURUCRT-SNVBAGLBSA-N -1 1 399.867 3.419 20 30 GGEDMM N#Cc1ccc(-n2ccc(NCc3ccc(F)c(-c4nn[n-]n4)c3)n2)c(Cl)c1 ZINC000826384345 1426753705 /nfs/dbraw/zinc/75/37/05/1426753705.db2.gz RJVXZLRKFNHZPE-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM CC[C@H](C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736308788 1426762696 /nfs/dbraw/zinc/76/26/96/1426762696.db2.gz ICKAETSTMGOKHG-GFCCVEGCSA-N -1 1 382.811 3.344 20 30 GGEDMM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737464304 1426775060 /nfs/dbraw/zinc/77/50/60/1426775060.db2.gz JRRTXRDLVRVMEO-UHFFFAOYSA-N -1 1 393.457 3.484 20 30 GGEDMM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1ccc(C#N)s1 ZINC000821389964 1426786123 /nfs/dbraw/zinc/78/61/23/1426786123.db2.gz RUKCWDVAJMWSAV-UHFFFAOYSA-N -1 1 375.797 3.071 20 30 GGEDMM CCc1cnc(C=CC(=O)c2cnn(-c3ccc(-c4nnn[n-]4)cc3)c2C)s1 ZINC000825733357 1426801246 /nfs/dbraw/zinc/80/12/46/1426801246.db2.gz DDASGEHZFNYVJU-HJWRWDBZSA-N -1 1 391.460 3.276 20 30 GGEDMM CCOCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1OC ZINC000825604380 1426845727 /nfs/dbraw/zinc/84/57/27/1426845727.db2.gz IFKWQKSZSFZPNT-YWEYNIOJSA-N -1 1 382.395 3.447 20 30 GGEDMM FC(F)(F)c1cc(NN=Cc2cccc3c2OCCO3)ccc1-c1nnn[n-]1 ZINC000737633303 1426899032 /nfs/dbraw/zinc/89/90/32/1426899032.db2.gz QELVPFIKYDKOHA-UHFFFAOYSA-N -1 1 390.325 3.103 20 30 GGEDMM CC(C)(C=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000819976185 1426915733 /nfs/dbraw/zinc/91/57/33/1426915733.db2.gz PIBDWADKACTIHH-GOSISDBHSA-N -1 1 393.451 3.029 20 30 GGEDMM O=C1c2cc(Cl)ccc2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826476454 1426925835 /nfs/dbraw/zinc/92/58/35/1426925835.db2.gz HYEROPCTEFBGMZ-KPKJPENVSA-N -1 1 376.807 3.380 20 30 GGEDMM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826214036 1426987630 /nfs/dbraw/zinc/98/76/30/1426987630.db2.gz XJEAJRYZTUCSDU-WAYWQWQTSA-N -1 1 378.417 3.223 20 30 GGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000174256139 1427072053 /nfs/dbraw/zinc/07/20/53/1427072053.db2.gz YISVUBGTONVIIZ-UHFFFAOYSA-N -1 1 383.429 3.287 20 30 GGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000174256408 1427072275 /nfs/dbraw/zinc/07/22/75/1427072275.db2.gz CBDAUVMUCDBITG-UHFFFAOYSA-N -1 1 398.488 3.090 20 30 GGEDMM C=CCN(Cc1nc([C@H](C)SCC)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745590 1427078494 /nfs/dbraw/zinc/07/84/94/1427078494.db2.gz KZPLWKUFTZSTCT-ZDUSSCGKSA-N -1 1 385.497 3.252 20 30 GGEDMM C#CCCCCCC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823840743 1427082088 /nfs/dbraw/zinc/08/20/88/1427082088.db2.gz DFQGOMWBSJJVPJ-UHFFFAOYSA-N -1 1 380.477 3.436 20 30 GGEDMM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403186 1427133775 /nfs/dbraw/zinc/13/37/75/1427133775.db2.gz LUBJMARDVGLQIB-FNORWQNLSA-N -1 1 378.392 3.420 20 30 GGEDMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)NCc2cc(C#N)ccc2F)c1 ZINC000174419107 1427149467 /nfs/dbraw/zinc/14/94/67/1427149467.db2.gz WBGQVNCGHFDZPS-UHFFFAOYSA-N -1 1 381.436 3.243 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1-c1nnn[n-]1 ZINC000737710041 1427186501 /nfs/dbraw/zinc/18/65/01/1427186501.db2.gz UOYQJUGZCULFBB-UHFFFAOYSA-N -1 1 391.372 3.114 20 30 GGEDMM Cc1ccc(C)c(N=C2NC(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)S2)c1 ZINC000822231960 1427264953 /nfs/dbraw/zinc/26/49/53/1427264953.db2.gz OIWGNMBUENJYGF-RIYZIHGNSA-N -1 1 382.474 3.437 20 30 GGEDMM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(C#N)cc1 ZINC000737203059 1427266579 /nfs/dbraw/zinc/26/65/79/1427266579.db2.gz RSQRPOMBUHIPFE-YFHOEESVSA-N -1 1 381.399 3.129 20 30 GGEDMM CC(C)c1nc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccn21 ZINC000824358724 1427288208 /nfs/dbraw/zinc/28/82/08/1427288208.db2.gz PBWOSQVACNPBRL-UHFFFAOYSA-N -1 1 381.831 3.132 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(OC)cc1C ZINC000735420039 1427306617 /nfs/dbraw/zinc/30/66/17/1427306617.db2.gz MCMMRBALOGOFGH-UHFFFAOYSA-N -1 1 378.436 3.404 20 30 GGEDMM C=C(C)[C@H]1CC=C(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)CC1 ZINC000819718263 1427314443 /nfs/dbraw/zinc/31/44/43/1427314443.db2.gz CLWVCRPSSONCNM-INIZCTEOSA-N -1 1 397.479 3.363 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1OC ZINC000174743329 1427343813 /nfs/dbraw/zinc/34/38/13/1427343813.db2.gz MQIDGXBGHVOOPV-UHFFFAOYSA-N -1 1 386.351 3.395 20 30 GGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000174940222 1427456711 /nfs/dbraw/zinc/45/67/11/1427456711.db2.gz ZUSOJTIBDCEYBS-UHFFFAOYSA-N -1 1 391.393 3.176 20 30 GGEDMM O=[N+]([O-])c1cccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000738367369 1427459933 /nfs/dbraw/zinc/45/99/33/1427459933.db2.gz SCWOFDLPOPQEPG-UHFFFAOYSA-N -1 1 377.286 3.240 20 30 GGEDMM N#Cc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)cc1-c1nnn[n-]1 ZINC000737716424 1427500545 /nfs/dbraw/zinc/50/05/45/1427500545.db2.gz QWCBWKATIVLKBS-UHFFFAOYSA-N -1 1 384.399 3.154 20 30 GGEDMM COc1ccc(CSc2nc3c(c(C)c2C#N)CCC3)cc1-c1nnn[n-]1 ZINC000826207830 1427521937 /nfs/dbraw/zinc/52/19/37/1427521937.db2.gz GQYYMHTUEPSHOY-UHFFFAOYSA-N -1 1 378.461 3.231 20 30 GGEDMM N#CCc1ccnc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000822815276 1427531375 /nfs/dbraw/zinc/53/13/75/1427531375.db2.gz NXTJICOOLWMELI-UHFFFAOYSA-N -1 1 381.399 3.247 20 30 GGEDMM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735678991 1427571890 /nfs/dbraw/zinc/57/18/90/1427571890.db2.gz BTJFOSFKHMJEIF-UHFFFAOYSA-N -1 1 382.811 3.188 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822819691 1427587462 /nfs/dbraw/zinc/58/74/62/1427587462.db2.gz ZDWXYVRTOWUSOA-UHFFFAOYSA-N -1 1 391.284 3.253 20 30 GGEDMM Cc1c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cccc1-c1nn[n-]n1 ZINC000822107777 1427617597 /nfs/dbraw/zinc/61/75/97/1427617597.db2.gz DARHSDMMMAVZGR-UHFFFAOYSA-N -1 1 397.398 3.486 20 30 GGEDMM O=[N+]([O-])c1ccccc1-c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000823646822 1427630153 /nfs/dbraw/zinc/63/01/53/1427630153.db2.gz ATZAGMXYAYARHJ-UHFFFAOYSA-N -1 1 389.375 3.159 20 30 GGEDMM Fc1cc(Br)ccc1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826372044 1427731079 /nfs/dbraw/zinc/73/10/79/1427731079.db2.gz DWKHCEIQBSYPSA-UHFFFAOYSA-N -1 1 396.611 3.263 20 30 GGEDMM O=C1C(=Cc2nccn2Cc2ccccc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504125 1427755057 /nfs/dbraw/zinc/75/50/57/1427755057.db2.gz MNEAGUPTVXSNTF-LGMDPLHJSA-N -1 1 382.427 3.324 20 30 GGEDMM CC[C@H](C)CN(C)c1ccc(F)cc1CN=Nc1oc(C)nc1-c1nnn[n-]1 ZINC000736321874 1427792291 /nfs/dbraw/zinc/79/22/91/1427792291.db2.gz GFKMFDGSVIEZJI-NSHDSACASA-N -1 1 386.435 3.231 20 30 GGEDMM CCCCN(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736454398 1427795550 /nfs/dbraw/zinc/79/55/50/1427795550.db2.gz XETDIRQVIGXNSE-UHFFFAOYSA-N -1 1 375.436 3.227 20 30 GGEDMM Fc1cc(F)c(NN=Cc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000737645214 1427804286 /nfs/dbraw/zinc/80/42/86/1427804286.db2.gz SCBIKGDOIZDNAL-UHFFFAOYSA-N -1 1 379.168 3.353 20 30 GGEDMM Cn1nc(C(F)(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000826365787 1427804806 /nfs/dbraw/zinc/80/48/06/1427804806.db2.gz CWLWMRUBODWOQO-VOTSOKGWSA-N -1 1 382.733 3.169 20 30 GGEDMM N#CCOc1ccc(COc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000822814550 1427815147 /nfs/dbraw/zinc/81/51/47/1427815147.db2.gz JAHJUHWXIYSGEG-UHFFFAOYSA-N -1 1 386.209 3.111 20 30 GGEDMM C=CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cc1 ZINC000735437369 1427819453 /nfs/dbraw/zinc/81/94/53/1427819453.db2.gz FXGVOMZXHDVRJK-UHFFFAOYSA-N -1 1 387.346 3.285 20 30 GGEDMM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)c1cc(C#N)c[nH]1 ZINC000822212008 1427825930 /nfs/dbraw/zinc/82/59/30/1427825930.db2.gz YLXXAELOMHWJJU-UHFFFAOYSA-N -1 1 399.414 3.206 20 30 GGEDMM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCC#Cc2cccc(Cl)c2)n1 ZINC000821343228 1427843900 /nfs/dbraw/zinc/84/39/00/1427843900.db2.gz LWBAKEZFPPZWGG-UHFFFAOYSA-N -1 1 399.863 3.236 20 30 GGEDMM O=C(C=Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737796942 1427844755 /nfs/dbraw/zinc/84/47/55/1427844755.db2.gz PEOXHPIHGPUWGM-AATRIKPKSA-N -1 1 386.314 3.093 20 30 GGEDMM COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1-c1ccccn1 ZINC000826187197 1427868044 /nfs/dbraw/zinc/86/80/44/1427868044.db2.gz FJMSHAYMIZDIQW-UHFFFAOYSA-N -1 1 397.398 3.061 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000735420698 1427931716 /nfs/dbraw/zinc/93/17/16/1427931716.db2.gz QKKKKMGCEZDCEW-HNNXBMFYSA-N -1 1 394.483 3.103 20 30 GGEDMM CN(CCC#N)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736793010 1427946468 /nfs/dbraw/zinc/94/64/68/1427946468.db2.gz VPLFMMYHVBXJOY-UHFFFAOYSA-N -1 1 382.811 3.298 20 30 GGEDMM C=C(CC)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000823877694 1427958767 /nfs/dbraw/zinc/95/87/67/1427958767.db2.gz CZTZKWVKUPZBJI-UHFFFAOYSA-N -1 1 375.436 3.421 20 30 GGEDMM Cc1cn(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)cc1-c1nnn[n-]1 ZINC000822384043 1427963363 /nfs/dbraw/zinc/96/33/63/1427963363.db2.gz FNTFURKYEVSUID-ZDUSSCGKSA-N -1 1 381.465 3.010 20 30 GGEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccccc2-c2nnn[n-]2)S1 ZINC000826296996 1427975727 /nfs/dbraw/zinc/97/57/27/1427975727.db2.gz QVTKKFUVCOLSRJ-GDNBJRDFSA-N -1 1 376.445 3.375 20 30 GGEDMM C[C@@H](CC#N)N(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820219154 1427988449 /nfs/dbraw/zinc/98/84/49/1427988449.db2.gz CRZOEUAWVKPYJP-ZDUSSCGKSA-N -1 1 377.408 3.425 20 30 GGEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735418895 1427992519 /nfs/dbraw/zinc/99/25/19/1427992519.db2.gz LCOVFWJYOCAQPU-UHFFFAOYSA-N -1 1 395.488 3.182 20 30 GGEDMM N#Cc1ccc(F)cc1COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822830126 1427998530 /nfs/dbraw/zinc/99/85/30/1427998530.db2.gz VKILRDFJCIJHDF-UHFFFAOYSA-N -1 1 391.284 3.253 20 30 GGEDMM CCOc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)ccc1OC ZINC000736627030 1428007455 /nfs/dbraw/zinc/00/74/55/1428007455.db2.gz XHJHPZIUZRQELZ-CLFYSBASSA-N -1 1 393.447 3.226 20 30 GGEDMM COCCCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821688429 1428024461 /nfs/dbraw/zinc/02/44/61/1428024461.db2.gz KRRDZQGGQDBRRR-SFQUDFHCSA-N -1 1 390.443 3.495 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(Cl)nc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359439 1428040682 /nfs/dbraw/zinc/04/06/82/1428040682.db2.gz HEYOXGIXOVECAN-SOFGYWHQSA-N -1 1 391.822 3.212 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000735418927 1428053717 /nfs/dbraw/zinc/05/37/17/1428053717.db2.gz LTTGEKZYMAXULT-AEFFLSMTSA-N -1 1 395.413 3.463 20 30 GGEDMM N#CC1(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CCCC1 ZINC000737675307 1428097015 /nfs/dbraw/zinc/09/70/15/1428097015.db2.gz OVDZWOXEFYCGRG-UHFFFAOYSA-N -1 1 378.461 3.295 20 30 GGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)c1)O[C@@H](C)C2 ZINC000826178656 1428156737 /nfs/dbraw/zinc/15/67/37/1428156737.db2.gz HCEOXWJSRNEDIQ-MALLOTDXSA-N -1 1 380.379 3.234 20 30 GGEDMM C[C@H](c1ccc(C#N)cc1)N1CCN([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736197880 1428183836 /nfs/dbraw/zinc/18/38/36/1428183836.db2.gz CPDHVZYNCQZTRA-IAGOWNOFSA-N -1 1 387.491 3.178 20 30 GGEDMM COc1ccc(CN=Nc2ncnc3c4ccccc4oc32)cc1-c1nnn[n-]1 ZINC000737084188 1429788278 /nfs/dbraw/zinc/78/82/78/1429788278.db2.gz ZBWPWPCMLXPGGV-UHFFFAOYSA-N -1 1 386.375 3.011 20 30 GGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(Br)n1 ZINC000826475697 1429831683 /nfs/dbraw/zinc/83/16/83/1429831683.db2.gz NWWQQRAKZBBSDU-LUAWRHEFSA-N -1 1 382.221 3.237 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825399541 1429860858 /nfs/dbraw/zinc/86/08/58/1429860858.db2.gz XJJZPHRINPLGHN-AWEZNQCLSA-N -1 1 376.420 3.281 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2COc3cc(Cl)cc(Cl)c32)o1 ZINC000820197591 1429892381 /nfs/dbraw/zinc/89/23/81/1429892381.db2.gz MHMXXMSTKXYHPJ-UHFFFAOYSA-N -1 1 394.222 3.494 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737082734 1429931667 /nfs/dbraw/zinc/93/16/67/1429931667.db2.gz YVICUMKOZMFVPB-KXFIGUGUSA-N -1 1 385.767 3.333 20 30 GGEDMM N#CCOc1ccc(Cl)cc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737697508 1429942074 /nfs/dbraw/zinc/94/20/74/1429942074.db2.gz INRSMUNOAWQLBC-VMPITWQZSA-N -1 1 395.806 3.179 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736513553 1429960051 /nfs/dbraw/zinc/96/00/51/1429960051.db2.gz QETBDZDNWQPFJY-CYBMUJFWSA-N -1 1 394.410 3.420 20 30 GGEDMM C=CCCC(=O)COC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823888378 1429966483 /nfs/dbraw/zinc/96/64/83/1429966483.db2.gz KRYCXGHJWOLANN-UHFFFAOYSA-N -1 1 392.415 3.138 20 30 GGEDMM CCCCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821077607 1429967112 /nfs/dbraw/zinc/96/71/12/1429967112.db2.gz NFAJTDAAAYEQEB-UHFFFAOYSA-N -1 1 380.452 3.178 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820848209 1429970471 /nfs/dbraw/zinc/97/04/71/1429970471.db2.gz TWYYMDOCFQANNE-IBGZPJMESA-N -1 1 378.461 3.440 20 30 GGEDMM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000820556641 1429979682 /nfs/dbraw/zinc/97/96/82/1429979682.db2.gz VAGCWJORNQZWAX-CYBMUJFWSA-N -1 1 396.451 3.433 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C#N)c1ccc2ccccc2n1 ZINC000819992444 1430015338 /nfs/dbraw/zinc/01/53/38/1430015338.db2.gz XKCABYUQONNYMS-KRWDZBQOSA-N -1 1 398.426 3.449 20 30 GGEDMM C[C@H](CC#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735963838 1430118166 /nfs/dbraw/zinc/11/81/66/1430118166.db2.gz OURXLJYCVYJQOK-LLVKDONJSA-N -1 1 382.811 3.344 20 30 GGEDMM C=CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745508 1430120479 /nfs/dbraw/zinc/12/04/79/1430120479.db2.gz GWGDYPYCRXTQDK-UHFFFAOYSA-N -1 1 391.391 3.104 20 30 GGEDMM C=CCOCCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000819750474 1430154380 /nfs/dbraw/zinc/15/43/80/1430154380.db2.gz FNTIIVUEYXSIQW-UHFFFAOYSA-N -1 1 377.448 3.383 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccn(-c3ccccc3)n2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234275 1430161609 /nfs/dbraw/zinc/16/16/09/1430161609.db2.gz OMDUEYGZLZHPNV-MDZDMXLPSA-N -1 1 385.431 3.005 20 30 GGEDMM C=CCOc1ccc(-c2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1OC ZINC000823932448 1430162361 /nfs/dbraw/zinc/16/23/61/1430162361.db2.gz ZDYFRXWNHBYHAF-UHFFFAOYSA-N -1 1 376.420 3.477 20 30 GGEDMM CC(C)(C)OC(=O)C1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC000824093737 1430205888 /nfs/dbraw/zinc/20/58/88/1430205888.db2.gz MEDYGUNRJJONBK-UHFFFAOYSA-N -1 1 391.863 3.215 20 30 GGEDMM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)c2)cc1 ZINC000737721587 1430230172 /nfs/dbraw/zinc/23/01/72/1430230172.db2.gz MCJVVTSTCDLXMD-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(N2CCOC2=O)c1 ZINC000823958092 1430239680 /nfs/dbraw/zinc/23/96/80/1430239680.db2.gz BNDZIBYNTAUKFY-UHFFFAOYSA-N -1 1 397.826 3.313 20 30 GGEDMM C=C(C)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000183050566 1430600054 /nfs/dbraw/zinc/60/00/54/1430600054.db2.gz LLWKZYYCIUOYEP-UHFFFAOYSA-N -1 1 380.416 3.414 20 30 GGEDMM CC[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000183829600 1430802228 /nfs/dbraw/zinc/80/22/28/1430802228.db2.gz HYMRJJYISSRLID-OAHLLOKOSA-N -1 1 375.425 3.049 20 30 GGEDMM CC[C@H](CC#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000183913752 1430812548 /nfs/dbraw/zinc/81/25/48/1430812548.db2.gz CEURVZIXPWPNGW-MRXNPFEDSA-N -1 1 389.452 3.357 20 30 GGEDMM CC[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000183923614 1430813904 /nfs/dbraw/zinc/81/39/04/1430813904.db2.gz MIHAEIPFIJRDMN-OAHLLOKOSA-N -1 1 375.425 3.049 20 30 GGEDMM CC[C@@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000183923594 1430813977 /nfs/dbraw/zinc/81/39/77/1430813977.db2.gz MIHAEIPFIJRDMN-HNNXBMFYSA-N -1 1 375.425 3.049 20 30 GGEDMM C=C(C)[C@@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(F)c(F)c1 ZINC000184850619 1431003167 /nfs/dbraw/zinc/00/31/67/1431003167.db2.gz NFJWOMUMLGMZOA-QGZVFWFLSA-N -1 1 393.459 3.445 20 30 GGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cc1 ZINC000184881558 1431011483 /nfs/dbraw/zinc/01/14/83/1431011483.db2.gz YDEIWAJZPYXZRE-OAHLLOKOSA-N -1 1 390.436 3.108 20 30 GGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000184882346 1431011765 /nfs/dbraw/zinc/01/17/65/1431011765.db2.gz LDDGWWXHVWZMLF-HNNXBMFYSA-N -1 1 390.436 3.222 20 30 GGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000184891564 1431014412 /nfs/dbraw/zinc/01/44/12/1431014412.db2.gz TXUAVBZVAFNTTM-AWEZNQCLSA-N -1 1 390.436 3.222 20 30 GGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000184896034 1431015600 /nfs/dbraw/zinc/01/56/00/1431015600.db2.gz UYVPTINGAKYTEN-UHFFFAOYSA-N -1 1 398.484 3.278 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1noc(-c2ccccc2)n1 ZINC000185191452 1431081104 /nfs/dbraw/zinc/08/11/04/1431081104.db2.gz JMELSEMWABFQKS-NSHDSACASA-N -1 1 388.836 3.301 20 30 GGEDMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000185442911 1431146423 /nfs/dbraw/zinc/14/64/23/1431146423.db2.gz TWPFLUMBMQIMOL-UHFFFAOYSA-N -1 1 376.372 3.089 20 30 GGEDMM COCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1 ZINC000186187781 1431348724 /nfs/dbraw/zinc/34/87/24/1431348724.db2.gz BENLVMCQNUKTRM-INIZCTEOSA-N -1 1 385.427 3.395 20 30 GGEDMM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186939618 1431571810 /nfs/dbraw/zinc/57/18/10/1431571810.db2.gz OXWLLYSMURIREY-UHFFFAOYSA-N -1 1 391.880 3.158 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187073995 1431606635 /nfs/dbraw/zinc/60/66/35/1431606635.db2.gz WHIDYKGCZYLNKL-UHFFFAOYSA-N -1 1 395.484 3.357 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)c1 ZINC000187143323 1431629416 /nfs/dbraw/zinc/62/94/16/1431629416.db2.gz JDJTVQAQBHBPHZ-UHFFFAOYSA-N -1 1 381.379 3.237 20 30 GGEDMM CC[C@H](C(=O)N1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1)c1ccccc1 ZINC000187804588 1431814500 /nfs/dbraw/zinc/81/45/00/1431814500.db2.gz CGPMCCXJAMOJPE-FQEVSTJZSA-N -1 1 391.471 3.178 20 30 GGEDMM C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000187945792 1431830137 /nfs/dbraw/zinc/83/01/37/1431830137.db2.gz AREVIAIJAOEXPG-HNNXBMFYSA-N -1 1 392.459 3.011 20 30 GGEDMM CC[C@H](CC#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000187981350 1431833390 /nfs/dbraw/zinc/83/33/90/1431833390.db2.gz JIWTZHKDSJZJNG-MRXNPFEDSA-N -1 1 376.409 3.476 20 30 GGEDMM CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188564462 1431895738 /nfs/dbraw/zinc/89/57/38/1431895738.db2.gz GXOUXGYSCIEGLV-IBGZPJMESA-N -1 1 385.414 3.451 20 30 GGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000188957383 1432016082 /nfs/dbraw/zinc/01/60/82/1432016082.db2.gz OZRSODRAMOIOPK-BTYIYWSLSA-N -1 1 380.444 3.319 20 30 GGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000188957404 1432016223 /nfs/dbraw/zinc/01/62/23/1432016223.db2.gz OZRSODRAMOIOPK-VFNWGFHPSA-N -1 1 380.444 3.319 20 30 GGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000188957426 1432016614 /nfs/dbraw/zinc/01/66/14/1432016614.db2.gz OZRSODRAMOIOPK-YCRPNKLZSA-N -1 1 380.444 3.319 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1[O-] ZINC000189006117 1432025952 /nfs/dbraw/zinc/02/59/52/1432025952.db2.gz QEXBJDHTIUPDFK-UHFFFAOYSA-N -1 1 375.350 3.245 20 30 GGEDMM COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189224792 1432066512 /nfs/dbraw/zinc/06/65/12/1432066512.db2.gz YHPOBPZQFQHKIJ-UHFFFAOYSA-N -1 1 392.333 3.098 20 30 GGEDMM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190051179 1432311238 /nfs/dbraw/zinc/31/12/38/1432311238.db2.gz TWRRGVIWFQZJDK-UHFFFAOYSA-N -1 1 391.349 3.172 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc4ccccc4c3)n[nH]2)cn1 ZINC000190371664 1432368839 /nfs/dbraw/zinc/36/88/39/1432368839.db2.gz PGGUOBHWUXJCAT-UHFFFAOYSA-N -1 1 375.413 3.297 20 30 GGEDMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(C#Cc4ccccc4)c3)cc2[nH]1 ZINC000192496615 1432851304 /nfs/dbraw/zinc/85/13/04/1432851304.db2.gz QCNPGTZSVOPLNM-UHFFFAOYSA-N -1 1 389.436 3.057 20 30 GGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2ccccc2[nH]c1=O ZINC000193475781 1433005270 /nfs/dbraw/zinc/00/52/70/1433005270.db2.gz DDKSTMSTCBPFGJ-CYBMUJFWSA-N -1 1 383.766 3.282 20 30 GGEDMM CN(C)C(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)s2)cc1 ZINC000193705495 1433043996 /nfs/dbraw/zinc/04/39/96/1433043996.db2.gz OONBZASHTUOXPL-GFCCVEGCSA-N -1 1 375.837 3.064 20 30 GGEDMM Cc1nc(CC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c(C)s1 ZINC000193802619 1433062993 /nfs/dbraw/zinc/06/29/93/1433062993.db2.gz ZSTSAGWYGTYSJE-LBPRGKRZSA-N -1 1 398.513 3.356 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cn1 ZINC000195440042 1433329821 /nfs/dbraw/zinc/32/98/21/1433329821.db2.gz HVKRFHWQSXWQAX-UHFFFAOYSA-N -1 1 375.413 3.093 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCc4sccc4C3)cc2)cn1 ZINC000195448268 1433330952 /nfs/dbraw/zinc/33/09/52/1433330952.db2.gz MGDKBGIDHHWIMZ-UHFFFAOYSA-N -1 1 396.497 3.378 20 30 GGEDMM N#Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000247633125 1433741565 /nfs/dbraw/zinc/74/15/65/1433741565.db2.gz CAFFJSJHIGVKLG-UHFFFAOYSA-N -1 1 391.452 3.289 20 30 GGEDMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(C#Cc4ccccc4)c3)cc2o1 ZINC000248009417 1433762960 /nfs/dbraw/zinc/76/29/60/1433762960.db2.gz VAQMACXFYSRSMU-UHFFFAOYSA-N -1 1 390.420 3.322 20 30 GGEDMM CC#CCCN1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000248395579 1433795028 /nfs/dbraw/zinc/79/50/28/1433795028.db2.gz OWBFYJPRUXXDCS-HOCLYGCPSA-N -1 1 386.389 3.084 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2C(C)(C)C)c(=O)o1 ZINC000255356162 1433881069 /nfs/dbraw/zinc/88/10/69/1433881069.db2.gz ICFNXRGHBGTCDC-OEIFXAAASA-N -1 1 378.428 3.398 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)[C@H](C)CC#N)c2)c1 ZINC000264099199 1434071536 /nfs/dbraw/zinc/07/15/36/1434071536.db2.gz TZZHQCCUEAFRSM-MRXNPFEDSA-N -1 1 385.489 3.478 20 30 GGEDMM Cc1ccc(NC(=O)C2(C#N)CCOCC2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000264550467 1434127030 /nfs/dbraw/zinc/12/70/30/1434127030.db2.gz XPYAMHOUPFOXII-UHFFFAOYSA-N -1 1 399.472 3.055 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H](C#N)C(C)C)cc2)c1C ZINC000264710103 1434147070 /nfs/dbraw/zinc/14/70/70/1434147070.db2.gz DZAAPFPZULXAIA-LJQANCHMSA-N -1 1 385.489 3.382 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C#N)C(C)C)cc2)ccc1F ZINC000264758727 1434152522 /nfs/dbraw/zinc/15/25/22/1434152522.db2.gz MJNYUSNZBABDJD-SFHVURJKSA-N -1 1 389.452 3.213 20 30 GGEDMM COc1cc(C#N)ccc1OCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000265833565 1434270250 /nfs/dbraw/zinc/27/02/50/1434270250.db2.gz LMDFQGJCBIZLAA-UHFFFAOYSA-N -1 1 387.461 3.115 20 30 GGEDMM CCN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000267889274 1434474563 /nfs/dbraw/zinc/47/45/63/1434474563.db2.gz UHWNNBZUNAUUOV-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)ccc1C ZINC000269333918 1434626372 /nfs/dbraw/zinc/62/63/72/1434626372.db2.gz AEOAMDMZOHLQJE-UHFFFAOYSA-N -1 1 387.461 3.413 20 30 GGEDMM CC1(C#N)CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000272527130 1434904293 /nfs/dbraw/zinc/90/42/93/1434904293.db2.gz MKXSXEHUOHKYSW-UHFFFAOYSA-N -1 1 383.473 3.253 20 30 GGEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000277518990 1435309921 /nfs/dbraw/zinc/30/99/21/1435309921.db2.gz LOPWDAPJOQLFSW-KRWDZBQOSA-N -1 1 379.464 3.026 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCC3)cc2C)ccc1C#N ZINC000277544015 1435311599 /nfs/dbraw/zinc/31/15/99/1435311599.db2.gz HCTXIXQOTDVYIG-UHFFFAOYSA-N -1 1 383.473 3.212 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)ccc1C#N ZINC000277710658 1435323755 /nfs/dbraw/zinc/32/37/55/1435323755.db2.gz WNHVUGVQNYSCLC-GOSISDBHSA-N -1 1 382.445 3.395 20 30 GGEDMM C=C[C@H](CC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1)c1ccccc1 ZINC000277867730 1435337549 /nfs/dbraw/zinc/33/75/49/1435337549.db2.gz YLBRCHUIFVCSBH-OAHLLOKOSA-N -1 1 382.464 3.047 20 30 GGEDMM CC(C)(C#N)CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000278895637 1435436985 /nfs/dbraw/zinc/43/69/85/1435436985.db2.gz XWISEBYNENYYKM-UHFFFAOYSA-N -1 1 389.452 3.183 20 30 GGEDMM Cc1c([N-]S(=O)(=O)c2ccccc2CC#N)cccc1C(=O)N1CCCC1 ZINC000279841610 1435549893 /nfs/dbraw/zinc/54/98/93/1435549893.db2.gz DBWZIZMWPHFRJD-UHFFFAOYSA-N -1 1 383.473 3.098 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC(C)(C#N)C3)cc2)c1C ZINC000280437792 1435660982 /nfs/dbraw/zinc/66/09/82/1435660982.db2.gz JYGMBTXBKGKENG-UHFFFAOYSA-N -1 1 383.473 3.090 20 30 GGEDMM CC(C)(C#N)c1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281276382 1435801917 /nfs/dbraw/zinc/80/19/17/1435801917.db2.gz GEXRSYJWLINZGM-UHFFFAOYSA-N -1 1 396.413 3.410 20 30 GGEDMM C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000283444416 1435890231 /nfs/dbraw/zinc/89/02/31/1435890231.db2.gz ZAVAJODAMSKRPQ-ZDUSSCGKSA-N -1 1 387.450 3.263 20 30 GGEDMM FC(F)(F)c1cc(NN=Cc2cccc3c2OCO3)ccc1-c1nnn[n-]1 ZINC000737633731 1441419122 /nfs/dbraw/zinc/41/91/22/1441419122.db2.gz VLXOKTWUCHFRQB-UHFFFAOYSA-N -1 1 376.298 3.060 20 30 GGEDMM C=CCOc1ccccc1CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735436856 1441424785 /nfs/dbraw/zinc/42/47/85/1441424785.db2.gz RWGVOQPKMHLCJN-UHFFFAOYSA-N -1 1 376.342 3.457 20 30 GGEDMM C=CCOc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000819758627 1441436406 /nfs/dbraw/zinc/43/64/06/1441436406.db2.gz CDTILYIEZCFXIU-CYBMUJFWSA-N -1 1 380.404 3.358 20 30 GGEDMM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cc3ccccc3n2CC#N)s1 ZINC000736679108 1441448401 /nfs/dbraw/zinc/44/84/01/1441448401.db2.gz KNQVCIIYIKQJKX-UHFFFAOYSA-N -1 1 377.433 3.221 20 30 GGEDMM N#Cc1cccc(OCCCSCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822836960 1441465973 /nfs/dbraw/zinc/46/59/73/1441465973.db2.gz BXZZCMSHHWZLSI-UHFFFAOYSA-N -1 1 381.461 3.319 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)c1c(C)noc1C ZINC000823910083 1441483301 /nfs/dbraw/zinc/48/33/01/1441483301.db2.gz XEGXEUKHSQTGJN-QGZVFWFLSA-N -1 1 395.467 3.320 20 30 GGEDMM CCCCCCCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821056676 1441483850 /nfs/dbraw/zinc/48/38/50/1441483850.db2.gz VYGMAUBIGXUPQQ-UHFFFAOYSA-N -1 1 392.891 3.325 20 30 GGEDMM C#CCOc1ccc([C@@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735381378 1441500167 /nfs/dbraw/zinc/50/01/67/1441500167.db2.gz VDPBGNODBNHLLF-OAHLLOKOSA-N -1 1 376.416 3.116 20 30 GGEDMM N#Cc1ccc(Cl)cc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822825281 1441520151 /nfs/dbraw/zinc/52/01/51/1441520151.db2.gz ATMOTHHWYBLDGA-UHFFFAOYSA-N -1 1 389.202 3.063 20 30 GGEDMM Cn1nc(C(F)(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000826365786 1441524194 /nfs/dbraw/zinc/52/41/94/1441524194.db2.gz CWLWMRUBODWOQO-SREVYHEPSA-N -1 1 382.733 3.169 20 30 GGEDMM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]2CCCO[C@H]21 ZINC000820577300 1441571803 /nfs/dbraw/zinc/57/18/03/1441571803.db2.gz NRVYSCMZEGPIHV-SMDDNHRTSA-N -1 1 380.374 3.488 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000735506341 1441593073 /nfs/dbraw/zinc/59/30/73/1441593073.db2.gz WBNKWFBTGWKNQL-CYBMUJFWSA-N -1 1 394.460 3.136 20 30 GGEDMM BrC(C=NNCc1ccc(-c2nnn[n-]2)cc1)=Cc1ccccc1 ZINC000819688384 1441625050 /nfs/dbraw/zinc/62/50/50/1441625050.db2.gz ICAUHAFDEYXJPK-DPSXQPKXSA-N -1 1 383.253 3.378 20 30 GGEDMM CC(C)C[C@@](C)(C#N)NC(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735755264 1441631962 /nfs/dbraw/zinc/63/19/62/1441631962.db2.gz DPQJGCPNJWPQBZ-FQEVSTJZSA-N -1 1 394.435 3.097 20 30 GGEDMM N#Cc1cc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737704467 1441632764 /nfs/dbraw/zinc/63/27/64/1441632764.db2.gz IWZQMDOCPUMMMB-FQEVSTJZSA-N -1 1 396.410 3.497 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccn(C2CCCC2)n1 ZINC000819745402 1441699580 /nfs/dbraw/zinc/69/95/80/1441699580.db2.gz BFTNDNHBLNHLSQ-UHFFFAOYSA-N -1 1 377.452 3.007 20 30 GGEDMM C=CCC(CC=C)C(=O)Nc1sc(C(=O)OCC)c(C)c1-c1nn[n-]n1 ZINC000819734212 1441708613 /nfs/dbraw/zinc/70/86/13/1441708613.db2.gz KHIRPPLXBODIMI-UHFFFAOYSA-N -1 1 375.454 3.120 20 30 GGEDMM O=[N+]([O-])c1ccccc1CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CC1 ZINC000826500493 1441710984 /nfs/dbraw/zinc/71/09/84/1441710984.db2.gz ZYGISNGVSCOVDE-UHFFFAOYSA-N -1 1 398.814 3.244 20 30 GGEDMM Cc1cc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)nn1-c1cccc(C#N)c1 ZINC000826261192 1441742297 /nfs/dbraw/zinc/74/22/97/1441742297.db2.gz VEFOOUQXMWRSAA-CQSZACIVSA-N -1 1 399.414 3.151 20 30 GGEDMM N#CCN(C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000822811319 1441742709 /nfs/dbraw/zinc/74/27/09/1441742709.db2.gz VWYRUQVPMNQZGG-UHFFFAOYSA-N -1 1 384.852 3.169 20 30 GGEDMM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715980 1441787451 /nfs/dbraw/zinc/78/74/51/1441787451.db2.gz VXSFYEPJMKAFJU-KUHUBIRLSA-N -1 1 388.431 3.012 20 30 GGEDMM N#Cc1ccccc1N1C(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)SC1=S ZINC000822842602 1441793050 /nfs/dbraw/zinc/79/30/50/1441793050.db2.gz PSKHSOQJDLSVCP-MLPAPPSSSA-N -1 1 396.482 3.206 20 30 GGEDMM COc1ccsc1C=CC(=O)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821910434 1441806464 /nfs/dbraw/zinc/80/64/64/1441806464.db2.gz ALSIGYJKIPXXFA-BQYQJAHWSA-N -1 1 392.444 3.327 20 30 GGEDMM O=C(C=Cc1cccc(NC(=O)C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400713 1441810418 /nfs/dbraw/zinc/81/04/18/1441810418.db2.gz GDAQPDZBBOBOKN-SNAWJCMRSA-N -1 1 393.350 3.325 20 30 GGEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822928025 1441847314 /nfs/dbraw/zinc/84/73/14/1441847314.db2.gz CSKIAXJGIGFPPZ-FMIVXFBMSA-N -1 1 397.360 3.067 20 30 GGEDMM C=C(C)[C@@H](CC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)OCC ZINC000823873195 1441879229 /nfs/dbraw/zinc/87/92/29/1441879229.db2.gz JTYDIPSWRXQUKR-OAHLLOKOSA-N -1 1 384.465 3.300 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000819742865 1441884846 /nfs/dbraw/zinc/88/48/46/1441884846.db2.gz AYSFYUZRBCXTQS-OAHLLOKOSA-N -1 1 376.411 3.142 20 30 GGEDMM Clc1ccc2c(c1)C(=NNc1cc(-c3nnn[n-]3)cc(Cl)n1)CCO2 ZINC000826352852 1441889727 /nfs/dbraw/zinc/88/97/27/1441889727.db2.gz QKBFUULOWYVZLX-UHFFFAOYSA-N -1 1 376.207 3.167 20 30 GGEDMM Clc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCO2 ZINC000826352852 1441889729 /nfs/dbraw/zinc/88/97/29/1441889729.db2.gz QKBFUULOWYVZLX-UHFFFAOYSA-N -1 1 376.207 3.167 20 30 GGEDMM C#CCCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819692682 1441898471 /nfs/dbraw/zinc/89/84/71/1441898471.db2.gz GRMUTROKUWTVET-UHFFFAOYSA-N -1 1 381.823 3.456 20 30 GGEDMM Cc1nnc(SCC#Cc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1C ZINC000826336548 1441914347 /nfs/dbraw/zinc/91/43/47/1441914347.db2.gz CNRIDPJWTPHOOU-UHFFFAOYSA-N -1 1 390.394 3.436 20 30 GGEDMM Cc1cc(C(=O)N2CCC(CC#N)CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826257578 1441914898 /nfs/dbraw/zinc/91/48/98/1441914898.db2.gz HYXPMEMQKPWHCS-UHFFFAOYSA-N -1 1 389.463 3.040 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822801601 1441915481 /nfs/dbraw/zinc/91/54/81/1441915481.db2.gz KSAIVWFSYNZXPI-AEFFLSMTSA-N -1 1 391.410 3.309 20 30 GGEDMM S=c1[nH]nc(-c2ccccc2Cl)n1N=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823737641 1441987662 /nfs/dbraw/zinc/98/76/62/1441987662.db2.gz GVIGTRSHHFSAGF-UHFFFAOYSA-N -1 1 388.869 3.011 20 30 GGEDMM S=c1[nH]nc(-c2ccccc2Cl)n1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823737641 1441987666 /nfs/dbraw/zinc/98/76/66/1441987666.db2.gz GVIGTRSHHFSAGF-UHFFFAOYSA-N -1 1 388.869 3.011 20 30 GGEDMM COc1ccc2oc(CN=Nc3oc(CC(C)C)nc3-c3nnn[n-]3)cc2c1 ZINC000826213751 1441999493 /nfs/dbraw/zinc/99/94/93/1441999493.db2.gz KZKIBLZXVBDSSU-UHFFFAOYSA-N -1 1 381.396 3.254 20 30 GGEDMM COc1cc(CN(C)[C@H](C)CC#N)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000821712106 1442024377 /nfs/dbraw/zinc/02/43/77/1442024377.db2.gz CPRWOOBBGALMHH-OAHLLOKOSA-N -1 1 392.463 3.188 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2c(c1)COC2 ZINC000823909418 1442054561 /nfs/dbraw/zinc/05/45/61/1442054561.db2.gz CJKCEOWVYMHNDY-UHFFFAOYSA-N -1 1 376.420 3.117 20 30 GGEDMM COc1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)cc1C#N ZINC000826204026 1442067105 /nfs/dbraw/zinc/06/71/05/1442067105.db2.gz SVCIJXYSSLMHMW-UHFFFAOYSA-N -1 1 385.225 3.122 20 30 GGEDMM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000822233149 1442081469 /nfs/dbraw/zinc/08/14/69/1442081469.db2.gz ITRQTKOEWKZYQP-HKUYNNGSSA-N -1 1 388.431 3.153 20 30 GGEDMM CC(C)(C#N)CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824059275 1442081761 /nfs/dbraw/zinc/08/17/61/1442081761.db2.gz RMIFGUSHGCFIPH-UHFFFAOYSA-N -1 1 377.408 3.330 20 30 GGEDMM CCN(CC#N)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736512252 1442094398 /nfs/dbraw/zinc/09/43/98/1442094398.db2.gz OANRHRNISXUNAS-UHFFFAOYSA-N -1 1 382.811 3.298 20 30 GGEDMM N#Cc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(Cl)c1 ZINC000826385540 1442097038 /nfs/dbraw/zinc/09/70/38/1442097038.db2.gz QGOCHWWGHGNGJV-UHFFFAOYSA-N -1 1 379.811 3.203 20 30 GGEDMM N#Cc1cccc(OCCCCC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000737730993 1442119806 /nfs/dbraw/zinc/11/98/06/1442119806.db2.gz VCJVAJYHWMNNHX-UHFFFAOYSA-N -1 1 395.394 3.170 20 30 GGEDMM N#Cc1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000737722951 1442134366 /nfs/dbraw/zinc/13/43/66/1442134366.db2.gz NQSQSWWHXDGHRB-UHFFFAOYSA-N -1 1 388.815 3.262 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000823909997 1442140360 /nfs/dbraw/zinc/14/03/60/1442140360.db2.gz VOMYKXWYITVXPP-QFBILLFUSA-N -1 1 383.496 3.223 20 30 GGEDMM CC(C)[C@@](C)(C#N)NC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735693284 1442142134 /nfs/dbraw/zinc/14/21/34/1442142134.db2.gz YPOSTDBIGVXQOV-OAQYLSRUSA-N -1 1 390.447 3.114 20 30 GGEDMM CCOc1ccc(N(CCC#N)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736644174 1442152872 /nfs/dbraw/zinc/15/28/72/1442152872.db2.gz GLPBKBQOKWNGCT-MDWZMJQESA-N -1 1 388.431 3.225 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1scnc1C1CC1 ZINC000823915413 1442181281 /nfs/dbraw/zinc/18/12/81/1442181281.db2.gz XGABFBKJSYGIEJ-UHFFFAOYSA-N -1 1 381.465 3.421 20 30 GGEDMM C=CC1CCN(C(=O)c2cccc(COc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000735403055 1442183416 /nfs/dbraw/zinc/18/34/16/1442183416.db2.gz OHUMARIRYSFBJX-UHFFFAOYSA-N -1 1 389.459 3.484 20 30 GGEDMM Cc1ccc2c(C)cc(NN=Cc3cnc4ccc(-c5nnn[n-]5)cn34)nc2c1C ZINC000737372923 1442209955 /nfs/dbraw/zinc/20/99/55/1442209955.db2.gz MLRVORRSFGDZPV-UHFFFAOYSA-N -1 1 397.446 3.434 20 30 GGEDMM C=CCn1c(-c2ccco2)nn(CN(C)c2ccccc2-c2nn[n-]n2)c1=S ZINC000823937355 1442232823 /nfs/dbraw/zinc/23/28/23/1442232823.db2.gz UAPWOQLRDOWHNX-UHFFFAOYSA-N -1 1 394.464 3.134 20 30 GGEDMM N#Cc1cc(CN(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)ccn1 ZINC000826383928 1442252431 /nfs/dbraw/zinc/25/24/31/1442252431.db2.gz XUFWDLFFUGIZQR-UHFFFAOYSA-N -1 1 399.433 3.475 20 30 GGEDMM Cn1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c(C2CCCCC2)n1 ZINC000826360745 1442258092 /nfs/dbraw/zinc/25/80/92/1442258092.db2.gz WIPUDBWHGISOIU-UHFFFAOYSA-N -1 1 397.487 3.379 20 30 GGEDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825675139 1442284946 /nfs/dbraw/zinc/28/49/46/1442284946.db2.gz XBPLPQVNIYPTSQ-UHFFFAOYSA-N -1 1 395.404 3.011 20 30 GGEDMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824513934 1442323114 /nfs/dbraw/zinc/32/31/14/1442323114.db2.gz KJRMSHKULDJKQA-AWEZNQCLSA-N -1 1 395.426 3.291 20 30 GGEDMM CC(CCc1n[nH]c2ccccc21)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000824412892 1442344824 /nfs/dbraw/zinc/34/48/24/1442344824.db2.gz HCZRAAMRSAEUMN-UHFFFAOYSA-N -1 1 393.455 3.449 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc3ccccc3n2)o1 ZINC000819783282 1442346145 /nfs/dbraw/zinc/34/61/45/1442346145.db2.gz UPQCFFUSZDQMAJ-UHFFFAOYSA-N -1 1 376.424 3.438 20 30 GGEDMM COc1ccc(O)cc1C(C)=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826210310 1442383539 /nfs/dbraw/zinc/38/35/39/1442383539.db2.gz MGENYMSBIDPHNQ-UHFFFAOYSA-N -1 1 392.341 3.436 20 30 GGEDMM N#C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000826379216 1442391407 /nfs/dbraw/zinc/39/14/07/1442391407.db2.gz MGLXOHQDPQESPB-OAHLLOKOSA-N -1 1 387.428 3.236 20 30 GGEDMM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000826399834 1442405351 /nfs/dbraw/zinc/40/53/51/1442405351.db2.gz HISOYHBVUDGLPI-RJRFIUFISA-N -1 1 377.223 3.292 20 30 GGEDMM C=CC[C@H](NC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000735409387 1442436708 /nfs/dbraw/zinc/43/67/08/1442436708.db2.gz DVHCAHYGHXMYCS-IBGZPJMESA-N -1 1 389.463 3.277 20 30 GGEDMM CC[C@@H]1CC[C@@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)O1 ZINC000820971496 1442446550 /nfs/dbraw/zinc/44/65/50/1442446550.db2.gz CNDVBAPQWLSCLU-YCPHGPKFSA-N -1 1 394.460 3.124 20 30 GGEDMM C=C(C)[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)OCC ZINC000823873562 1442451694 /nfs/dbraw/zinc/45/16/94/1442451694.db2.gz NJRIUEBCAMNJJA-AAEUAGOBSA-N -1 1 375.498 3.363 20 30 GGEDMM N#C[C@H](C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nc(-c2c(F)cccc2F)cs1 ZINC000826379404 1442475580 /nfs/dbraw/zinc/47/55/80/1442475580.db2.gz QSUCYUQVHWDRLN-MRVPVSSYSA-N -1 1 397.370 3.087 20 30 GGEDMM C=CCOc1ccccc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823931890 1442486651 /nfs/dbraw/zinc/48/66/51/1442486651.db2.gz JDPHTZOHHNEAHS-UHFFFAOYSA-N -1 1 387.443 3.361 20 30 GGEDMM C=CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OCCOC)cc1 ZINC000823932049 1443093229 /nfs/dbraw/zinc/09/32/29/1443093229.db2.gz LUTAZZQGAKJJCW-UHFFFAOYSA-N -1 1 381.436 3.069 20 30 GGEDMM Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)o2)cc1 ZINC000737287921 1443095600 /nfs/dbraw/zinc/09/56/00/1443095600.db2.gz KSNDLLJLEVDKPT-UHFFFAOYSA-N -1 1 399.414 3.273 20 30 GGEDMM Cc1oc(NC(=O)CN(CC(C)C)c2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C ZINC000826341560 1443115441 /nfs/dbraw/zinc/11/54/41/1443115441.db2.gz KKKCFJGOQMJBPR-UHFFFAOYSA-N -1 1 393.451 3.049 20 30 GGEDMM N#C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000737674718 1443130108 /nfs/dbraw/zinc/13/01/08/1443130108.db2.gz LHOJGGPPKHIGGH-CQSZACIVSA-N -1 1 387.230 3.097 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1F ZINC000819773168 1443149007 /nfs/dbraw/zinc/14/90/07/1443149007.db2.gz QJMKBTPVOIWQPS-UHFFFAOYSA-N -1 1 389.232 3.282 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822802056 1443157662 /nfs/dbraw/zinc/15/76/62/1443157662.db2.gz UOQUCRNCJKNDDN-WMZOPIPTSA-N -1 1 389.488 3.335 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000819745651 1443174816 /nfs/dbraw/zinc/17/48/16/1443174816.db2.gz NVWSKFHQCGSUPQ-UHFFFAOYSA-N -1 1 392.467 3.181 20 30 GGEDMM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735652846 1443183875 /nfs/dbraw/zinc/18/38/75/1443183875.db2.gz UXENYZMHTQEEKW-UHFFFAOYSA-N -1 1 376.420 3.053 20 30 GGEDMM Cc1ncsc1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822481715 1443187117 /nfs/dbraw/zinc/18/71/17/1443187117.db2.gz CJVYMKSMRNTEEW-GFCCVEGCSA-N -1 1 393.457 3.245 20 30 GGEDMM COc1ccc(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)cc1C#N ZINC000826207897 1443189097 /nfs/dbraw/zinc/18/90/97/1443189097.db2.gz JTXGTQVWQSNEHK-UHFFFAOYSA-N -1 1 378.461 3.231 20 30 GGEDMM CC(C)c1ccc(-c2nc(Cn3cnc(C#N)c3-c3nn[n-]n3)cs2)cc1 ZINC000824347796 1443228444 /nfs/dbraw/zinc/22/84/44/1443228444.db2.gz NZAYYODDCCRFEL-UHFFFAOYSA-N -1 1 376.449 3.230 20 30 GGEDMM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000820577356 1443243834 /nfs/dbraw/zinc/24/38/34/1443243834.db2.gz PBSXYJFZSWUFPR-SOFGYWHQSA-N -1 1 377.379 3.132 20 30 GGEDMM O=C(C=Cc1cnc2ccc(Br)cn12)c1cccc(-c2nnn[n-]2)c1 ZINC000737804649 1443271231 /nfs/dbraw/zinc/27/12/31/1443271231.db2.gz CRLZHYQFLVBFGS-WAYWQWQTSA-N -1 1 395.220 3.173 20 30 GGEDMM C[C@@H]1C[N@H+](Cc2ccccc2)CC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820760974 1443281306 /nfs/dbraw/zinc/28/13/06/1443281306.db2.gz VAEPUHGBIJUYRW-CYBMUJFWSA-N -1 1 394.483 3.072 20 30 GGEDMM C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000820760974 1443281312 /nfs/dbraw/zinc/28/13/12/1443281312.db2.gz VAEPUHGBIJUYRW-CYBMUJFWSA-N -1 1 394.483 3.072 20 30 GGEDMM CN(C(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733284 1443291505 /nfs/dbraw/zinc/29/15/05/1443291505.db2.gz RMNIUKJELCSWSF-UHFFFAOYSA-N -1 1 394.410 3.090 20 30 GGEDMM N#C[C@H](C(=O)NC1CCCCC1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379311 1443319597 /nfs/dbraw/zinc/31/95/97/1443319597.db2.gz OLQGAMUSYWSEAB-OAHLLOKOSA-N -1 1 393.476 3.046 20 30 GGEDMM C=CCOc1ccccc1C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000735435930 1443339355 /nfs/dbraw/zinc/33/93/55/1443339355.db2.gz BLJKGUKXAWHDLI-CQSZACIVSA-N -1 1 380.404 3.056 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)s1 ZINC000822823825 1443350067 /nfs/dbraw/zinc/35/00/67/1443350067.db2.gz ZXPOWBAWOMDKOB-UHFFFAOYSA-N -1 1 379.430 3.176 20 30 GGEDMM CCOC(=O)C(F)(F)[C@H]1CCC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000825494142 1443357254 /nfs/dbraw/zinc/35/72/54/1443357254.db2.gz UDSYWSBHEIPAAP-VIFPVBQESA-N -1 1 398.801 3.287 20 30 GGEDMM CC(C)(C#N)COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824059392 1443358801 /nfs/dbraw/zinc/35/88/01/1443358801.db2.gz SFCBNRGCONUVKZ-UHFFFAOYSA-N -1 1 377.404 3.152 20 30 GGEDMM N#Cc1cccnc1N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccc(F)c1 ZINC000822842319 1443364785 /nfs/dbraw/zinc/36/47/85/1443364785.db2.gz BOUZWEZWPWXKEO-UHFFFAOYSA-N -1 1 385.406 3.479 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc3c(c2)C(C)(C)C(=O)N3)o1 ZINC000819783577 1443371864 /nfs/dbraw/zinc/37/18/64/1443371864.db2.gz ZNOQRZFXFRQPJD-UHFFFAOYSA-N -1 1 394.439 3.044 20 30 GGEDMM N#CCSc1ccccc1NC(=O)CNc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822815293 1443399409 /nfs/dbraw/zinc/39/94/09/1443399409.db2.gz OLXXQCXCGUELFK-UHFFFAOYSA-N -1 1 399.867 3.186 20 30 GGEDMM O=[N+]([O-])c1ccccc1C[C@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826499867 1443403991 /nfs/dbraw/zinc/40/39/91/1443403991.db2.gz BNAKXOSLFIALKQ-MRXNPFEDSA-N -1 1 391.435 3.263 20 30 GGEDMM C=CC1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)CC1 ZINC000735403287 1443404777 /nfs/dbraw/zinc/40/47/77/1443404777.db2.gz TZSLPQBGYJQLMB-UHFFFAOYSA-N -1 1 391.435 3.484 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)c1ccc(F)cc1 ZINC000735419015 1443411826 /nfs/dbraw/zinc/41/18/26/1443411826.db2.gz OOXMGVLSRZACNN-UHFFFAOYSA-N -1 1 379.439 3.498 20 30 GGEDMM Cc1c(C#N)cccc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822015510 1443454104 /nfs/dbraw/zinc/45/41/04/1443454104.db2.gz LHDBECKHQFQVSY-UHFFFAOYSA-N -1 1 376.420 3.235 20 30 GGEDMM COc1cc(C#N)cc(Cl)c1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000821702906 1443461953 /nfs/dbraw/zinc/46/19/53/1443461953.db2.gz GPIJIIVVAHOQRQ-UHFFFAOYSA-N -1 1 380.795 3.232 20 30 GGEDMM N#Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)ccc1-c1nnn[n-]1 ZINC000737710341 1443482166 /nfs/dbraw/zinc/48/21/66/1443482166.db2.gz XEXOTEORKYRLFS-UHFFFAOYSA-N -1 1 389.202 3.063 20 30 GGEDMM CC[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825080587 1443488383 /nfs/dbraw/zinc/48/83/83/1443488383.db2.gz BGQKJFPXGVCQSQ-CYBMUJFWSA-N -1 1 376.420 3.269 20 30 GGEDMM N#CCOc1ccc(Cl)cc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737697509 1443497352 /nfs/dbraw/zinc/49/73/52/1443497352.db2.gz INRSMUNOAWQLBC-YVMONPNESA-N -1 1 395.806 3.179 20 30 GGEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000822196743 1443507536 /nfs/dbraw/zinc/50/75/36/1443507536.db2.gz VSIHTBFUPMXIAW-UHFFFAOYSA-N -1 1 389.463 3.151 20 30 GGEDMM Clc1nc(Cl)c(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000826350698 1443514887 /nfs/dbraw/zinc/51/48/87/1443514887.db2.gz HJRSPAZFJQELJY-UHFFFAOYSA-N -1 1 375.632 3.124 20 30 GGEDMM C#CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@H]1CCc2ccccc21 ZINC000819702210 1443519909 /nfs/dbraw/zinc/51/99/09/1443519909.db2.gz UANUKBIYPMDHKL-IBGZPJMESA-N -1 1 397.442 3.039 20 30 GGEDMM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C#N)cc1 ZINC000736128317 1443533947 /nfs/dbraw/zinc/53/39/47/1443533947.db2.gz WEWYAEMGEKOUME-SNVBAGLBSA-N -1 1 383.868 3.439 20 30 GGEDMM N#CC1(NC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CCCC1 ZINC000737679400 1443546852 /nfs/dbraw/zinc/54/68/52/1443546852.db2.gz QGNPVFLHIVKFOC-UHFFFAOYSA-N -1 1 388.431 3.012 20 30 GGEDMM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399867 1443567166 /nfs/dbraw/zinc/56/71/66/1443567166.db2.gz IRHGKTJQAZAOCM-DAFODLJHSA-N -1 1 386.770 3.327 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(O[C@H](C)C#N)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204071 1443571270 /nfs/dbraw/zinc/57/12/70/1443571270.db2.gz XRMFTVJIZOFROY-PGJNLMOESA-N -1 1 388.431 3.110 20 30 GGEDMM N#CC1(c2ccc(COC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc2)CC1 ZINC000826380449 1443591011 /nfs/dbraw/zinc/59/10/11/1443591011.db2.gz AUACCMZHYXOVMY-UHFFFAOYSA-N -1 1 381.342 3.057 20 30 GGEDMM CCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825632282 1443595296 /nfs/dbraw/zinc/59/52/96/1443595296.db2.gz NWVAEFYVLJIHSS-QPJJXVBHSA-N -1 1 395.375 3.078 20 30 GGEDMM CC(=NNC(=S)Nc1ccc(OC(C)C)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735450833 1443625224 /nfs/dbraw/zinc/62/52/24/1443625224.db2.gz FJJXWJZTLKZOGF-UHFFFAOYSA-N -1 1 395.492 3.365 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccccc2CCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826385751 1443626248 /nfs/dbraw/zinc/62/62/48/1443626248.db2.gz YZXPOIHESZSNRB-UHFFFAOYSA-N -1 1 386.337 3.486 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cccc(OC(F)(F)F)c2)o1 ZINC000735851473 1443655782 /nfs/dbraw/zinc/65/57/82/1443655782.db2.gz WSVYGKUJAFIFRL-UHFFFAOYSA-N -1 1 395.345 3.398 20 30 GGEDMM C=CCOc1ccc(C(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000819758628 1443690474 /nfs/dbraw/zinc/69/04/74/1443690474.db2.gz CDTILYIEZCFXIU-ZDUSSCGKSA-N -1 1 380.404 3.358 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000819745730 1443692287 /nfs/dbraw/zinc/69/22/87/1443692287.db2.gz QLPPBJBMCSJTMG-JXFKEZNVSA-N -1 1 388.475 3.032 20 30 GGEDMM N#Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000737722709 1443693002 /nfs/dbraw/zinc/69/30/02/1443693002.db2.gz XTYIZYFHHRYCSE-UHFFFAOYSA-N -1 1 386.371 3.163 20 30 GGEDMM N#Cc1cccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000737722871 1443706726 /nfs/dbraw/zinc/70/67/26/1443706726.db2.gz NCSMCASHPMFQDU-UHFFFAOYSA-N -1 1 386.440 3.397 20 30 GGEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735426874 1443744147 /nfs/dbraw/zinc/74/41/47/1443744147.db2.gz ZEYWMDQFUGGDRE-UHFFFAOYSA-N -1 1 390.472 3.045 20 30 GGEDMM C#CCOc1ccc(NC(=O)N(CC=C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380891 1443746428 /nfs/dbraw/zinc/74/64/28/1443746428.db2.gz NJQLBHOLLXHEIP-UHFFFAOYSA-N -1 1 388.431 3.099 20 30 GGEDMM Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000822432133 1443747514 /nfs/dbraw/zinc/74/75/14/1443747514.db2.gz XZYQYQLOYBMPSV-UHFFFAOYSA-N -1 1 379.449 3.413 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000823909860 1443770075 /nfs/dbraw/zinc/77/00/75/1443770075.db2.gz SFLWOMZGUZEQGW-GOSISDBHSA-N -1 1 397.866 3.158 20 30 GGEDMM N#C[C@H](C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc2cc(F)ccc2s1 ZINC000737672458 1443774985 /nfs/dbraw/zinc/77/49/85/1443774985.db2.gz IDHPJIIUWNVZMR-CQSZACIVSA-N -1 1 392.419 3.425 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H](C#N)Cc1cccs1 ZINC000824171910 1443792907 /nfs/dbraw/zinc/79/29/07/1443792907.db2.gz GYGOROPTZAXZRG-CYBMUJFWSA-N -1 1 397.460 3.011 20 30 GGEDMM Cc1ccc(N(CCC#N)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737346880 1443796216 /nfs/dbraw/zinc/79/62/16/1443796216.db2.gz IOOAETZCYNARCZ-UHFFFAOYSA-N -1 1 392.488 3.355 20 30 GGEDMM C=C(C)COCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819722480 1443799911 /nfs/dbraw/zinc/79/99/11/1443799911.db2.gz JRZTXSQYMVQZRQ-UHFFFAOYSA-N -1 1 394.435 3.373 20 30 GGEDMM Cc1cnc(NCc2ccc(-c3nnn[n-]3)cc2)nc1NCc1ccc(C#N)cc1 ZINC000822394751 1443802190 /nfs/dbraw/zinc/80/21/90/1443802190.db2.gz GAISMLFRMYXIOL-UHFFFAOYSA-N -1 1 397.446 3.061 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(-c2cccs2)n1 ZINC000826359251 1443813812 /nfs/dbraw/zinc/81/38/12/1443813812.db2.gz AVKDZEUNLJWJSY-ALCCZGGFSA-N -1 1 380.408 3.364 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(-c2ccc(C#N)cc2)n1 ZINC000826359754 1443832615 /nfs/dbraw/zinc/83/26/15/1443832615.db2.gz PNZPUXJTTDSCJU-VOTSOKGWSA-N -1 1 387.428 3.096 20 30 GGEDMM COc1cccc2cc(C(=O)C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)oc21 ZINC000737143004 1443850106 /nfs/dbraw/zinc/85/01/06/1443850106.db2.gz OGTUJRPLOVRMBO-VOTSOKGWSA-N -1 1 386.371 3.165 20 30 GGEDMM C#Cc1cccc(N(C(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735390148 1443882395 /nfs/dbraw/zinc/88/23/95/1443882395.db2.gz PPPSBGJCZGDDGX-OAHLLOKOSA-N -1 1 375.432 3.057 20 30 GGEDMM C=C(C)COc1cccc(N[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402602 1443887458 /nfs/dbraw/zinc/88/74/58/1443887458.db2.gz YRDUJQZHULBTIP-GOSISDBHSA-N -1 1 379.420 3.148 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(F)c3cccnc23)o1 ZINC000819965836 1443908392 /nfs/dbraw/zinc/90/83/92/1443908392.db2.gz OSKGTTXHASUTMO-UHFFFAOYSA-N -1 1 380.387 3.286 20 30 GGEDMM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2ccc(C#N)cc2)c1C ZINC000735450894 1443913956 /nfs/dbraw/zinc/91/39/56/1443913956.db2.gz IWNDTUOXZZIGCD-UHFFFAOYSA-N -1 1 383.419 3.069 20 30 GGEDMM CCCN(CC)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736472405 1443931072 /nfs/dbraw/zinc/93/10/72/1443931072.db2.gz WBYMRAPJAUZFAI-UHFFFAOYSA-N -1 1 375.436 3.227 20 30 GGEDMM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401359 1443934133 /nfs/dbraw/zinc/93/41/33/1443934133.db2.gz WMTJSBHGNGFLDL-ZZXKWVIFSA-N -1 1 376.401 3.407 20 30 GGEDMM Cc1cc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1C(C)C ZINC000737278189 1443978966 /nfs/dbraw/zinc/97/89/66/1443978966.db2.gz GJIFPGTVRLLELZ-UHFFFAOYSA-N -1 1 376.420 3.188 20 30 GGEDMM FC(F)(F)c1ccccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822728295 1443984601 /nfs/dbraw/zinc/98/46/01/1443984601.db2.gz FSQVPLONMOHDKW-UHFFFAOYSA-N -1 1 397.411 3.268 20 30 GGEDMM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736192289 1443986191 /nfs/dbraw/zinc/98/61/91/1443986191.db2.gz LBZMDMSGMLUNKC-JTQLQIEISA-N -1 1 390.432 3.224 20 30 GGEDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(C#N)c1C ZINC000821105040 1443989013 /nfs/dbraw/zinc/98/90/13/1443989013.db2.gz WERXEXONEJQFMH-UHFFFAOYSA-N -1 1 375.436 3.491 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1sccc1C ZINC000823909498 1444026549 /nfs/dbraw/zinc/02/65/49/1444026549.db2.gz GOKMZRKEEVRWFH-UHFFFAOYSA-N -1 1 382.493 3.177 20 30 GGEDMM N#Cc1cc(Cl)ccc1COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826383456 1446080545 /nfs/dbraw/zinc/08/05/45/1446080545.db2.gz BGZFOXYCTPJQBB-UHFFFAOYSA-N -1 1 399.863 3.368 20 30 GGEDMM Cn1ccnc1COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822698814 1446103294 /nfs/dbraw/zinc/10/32/94/1446103294.db2.gz GMXWJNMPEKAIRJ-VURMDHGXSA-N -1 1 392.444 3.137 20 30 GGEDMM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403482 1446133419 /nfs/dbraw/zinc/13/34/19/1446133419.db2.gz UAJODABTVKFHRD-DUXPYHPUSA-N -1 1 378.392 3.420 20 30 GGEDMM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737489983 1446179596 /nfs/dbraw/zinc/17/95/96/1446179596.db2.gz OFJNWHZXODRYKJ-UHFFFAOYSA-N -1 1 383.415 3.085 20 30 GGEDMM Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(C#N)c1C ZINC000826337276 1446187931 /nfs/dbraw/zinc/18/79/31/1446187931.db2.gz IURGWFCKFBNNBF-UHFFFAOYSA-N -1 1 389.391 3.039 20 30 GGEDMM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736180387 1446205142 /nfs/dbraw/zinc/20/51/42/1446205142.db2.gz HRKLTSWVLOJXIB-ZDUSSCGKSA-N -1 1 390.447 3.442 20 30 GGEDMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736236387 1446214152 /nfs/dbraw/zinc/21/41/52/1446214152.db2.gz JAVJPBYOBKWQEP-QBIMZIAESA-N -1 1 382.468 3.154 20 30 GGEDMM N#Cc1ccc(-c2nnc(COc3ccc(-c4nnn[n-]4)cc3Cl)o2)cc1 ZINC000737710547 1446230335 /nfs/dbraw/zinc/23/03/35/1446230335.db2.gz VMCUSWCGDUKHGW-UHFFFAOYSA-N -1 1 379.767 3.021 20 30 GGEDMM N#CCC[C@H](C#N)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737681354 1446288258 /nfs/dbraw/zinc/28/82/58/1446288258.db2.gz CZKLCXNHNHJXQV-OAHLLOKOSA-N -1 1 391.410 3.440 20 30 GGEDMM Cc1ccc(F)c(NN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826289724 1446292880 /nfs/dbraw/zinc/29/28/80/1446292880.db2.gz KRQCIBXBNQVYOX-UHFFFAOYSA-N -1 1 376.399 3.161 20 30 GGEDMM C=CC[C@@]1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCN1C(=O)OC(C)(C)C ZINC000790561949 1446308306 /nfs/dbraw/zinc/30/83/06/1446308306.db2.gz SERLEDFRHUYFJH-FQEVSTJZSA-N -1 1 398.467 3.151 20 30 GGEDMM N#CC1(c2ccc(C(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C3CC3)cc2)CC1 ZINC000826380138 1446315954 /nfs/dbraw/zinc/31/59/54/1446315954.db2.gz OQJYWQZFGVRTSJ-UHFFFAOYSA-N -1 1 384.443 3.227 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000824716030 1446334204 /nfs/dbraw/zinc/33/42/04/1446334204.db2.gz WGJVSZSKCDUKQN-IFXJQAMLSA-N -1 1 391.431 3.446 20 30 GGEDMM Cc1ccc(N=C2NC(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)S2)c(C)c1 ZINC000822254564 1446360325 /nfs/dbraw/zinc/36/03/25/1446360325.db2.gz NAEHBDAINHNPJO-VGOFMYFVSA-N -1 1 382.474 3.437 20 30 GGEDMM C=C[C@H](CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccccc1 ZINC000823883021 1446373667 /nfs/dbraw/zinc/37/36/67/1446373667.db2.gz IRBOOLUKPGGKGS-OAHLLOKOSA-N -1 1 399.458 3.233 20 30 GGEDMM N#CC1(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)CCC1 ZINC000737679434 1446384122 /nfs/dbraw/zinc/38/41/22/1446384122.db2.gz QMDVQSPUWXFKFG-UHFFFAOYSA-N -1 1 394.822 3.488 20 30 GGEDMM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735505204 1446403250 /nfs/dbraw/zinc/40/32/50/1446403250.db2.gz PLUBUFHIYHHZFM-ZDUSSCGKSA-N -1 1 377.408 3.282 20 30 GGEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000736112447 1446408626 /nfs/dbraw/zinc/40/86/26/1446408626.db2.gz RLVYZUZYKRNIQP-OAHLLOKOSA-N -1 1 389.463 3.420 20 30 GGEDMM N#CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1 ZINC000737693352 1446436355 /nfs/dbraw/zinc/43/63/55/1446436355.db2.gz NXBLLXQJVQDBLP-UHFFFAOYSA-N -1 1 397.398 3.224 20 30 GGEDMM Cc1ccc(-c2nc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)cs2)o1 ZINC000737288001 1446448676 /nfs/dbraw/zinc/44/86/76/1446448676.db2.gz LHDSFJOMUICLPI-UHFFFAOYSA-N -1 1 377.389 3.016 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488906 1446468734 /nfs/dbraw/zinc/46/87/34/1446468734.db2.gz WQNARVIEOORXMT-IFXJQAMLSA-N -1 1 391.431 3.446 20 30 GGEDMM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1sccc1-c1nnn[n-]1 ZINC000823396012 1446496785 /nfs/dbraw/zinc/49/67/85/1446496785.db2.gz CNHAUOPNKKEPBD-UHFFFAOYSA-N -1 1 394.334 3.035 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(CCC)c1C1CC1 ZINC000823915462 1446497089 /nfs/dbraw/zinc/49/70/89/1446497089.db2.gz YOVTYPJEBVZEOM-UHFFFAOYSA-N -1 1 391.479 3.179 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1CSc1nc2c(cc1C#N)CCCC2 ZINC000826173873 1446544139 /nfs/dbraw/zinc/54/41/39/1446544139.db2.gz YUEALXXPEUIFQI-UHFFFAOYSA-N -1 1 378.461 3.313 20 30 GGEDMM COc1ccc(Oc2ccc(CN=Nc3oc(C)nc3-c3nnn[n-]3)cc2)cc1 ZINC000826211519 1446565791 /nfs/dbraw/zinc/56/57/91/1446565791.db2.gz IDXBUBDEOGLHFM-UHFFFAOYSA-N -1 1 391.391 3.410 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000823958477 1446595473 /nfs/dbraw/zinc/59/54/73/1446595473.db2.gz ONUKYNZVUMFSHQ-UHFFFAOYSA-N -1 1 397.870 3.193 20 30 GGEDMM COc1ccc(-c2nc(SCCC(C)(C)C#N)[nH]c(=O)c2-c2nnn[n-]2)cc1 ZINC000821732822 1446595845 /nfs/dbraw/zinc/59/58/45/1446595845.db2.gz UZZGNRJQAFPJCN-UHFFFAOYSA-N -1 1 397.464 3.070 20 30 GGEDMM C=CCNc1ncc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819751654 1446610763 /nfs/dbraw/zinc/61/07/63/1446610763.db2.gz YSFMWZQVDGQYDO-LBPRGKRZSA-N -1 1 383.481 3.144 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccccc1CC ZINC000735420686 1446710949 /nfs/dbraw/zinc/71/09/49/1446710949.db2.gz PVDYAFWJVHDVMN-UHFFFAOYSA-N -1 1 376.464 3.327 20 30 GGEDMM N#Cc1cc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)nc2ccccc12 ZINC000826384194 1446714641 /nfs/dbraw/zinc/71/46/41/1446714641.db2.gz KTPMIWAKXCQBDK-UHFFFAOYSA-N -1 1 393.414 3.289 20 30 GGEDMM C#CCOCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000823856372 1446745133 /nfs/dbraw/zinc/74/51/33/1446745133.db2.gz PZFFYSYHIVQPFS-UHFFFAOYSA-N -1 1 397.822 3.291 20 30 GGEDMM N#CCCCOc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822806536 1446758465 /nfs/dbraw/zinc/75/84/65/1446758465.db2.gz PKSGMVLGQSJATB-UHFFFAOYSA-N -1 1 384.346 3.080 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1nc(C2CC2)cs1 ZINC000819745973 1446781095 /nfs/dbraw/zinc/78/10/95/1446781095.db2.gz XDYXQIMQIBUTCL-UHFFFAOYSA-N -1 1 395.492 3.098 20 30 GGEDMM C[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ncc(-c2ccccc2)o1 ZINC000736192292 1446781956 /nfs/dbraw/zinc/78/19/56/1446781956.db2.gz LBZMDMSGMLUNKC-SNVBAGLBSA-N -1 1 390.432 3.224 20 30 GGEDMM C=CCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1O ZINC000823936950 1446806494 /nfs/dbraw/zinc/80/64/94/1446806494.db2.gz ARYRJFUXGMOOKC-YVMONPNESA-N -1 1 380.379 3.345 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(C)=O)cc1F ZINC000823914637 1446840411 /nfs/dbraw/zinc/84/04/11/1446840411.db2.gz KGIZHFAAYYCWOI-UHFFFAOYSA-N -1 1 379.395 3.037 20 30 GGEDMM N#Cc1ccc(OC(=O)c2ccc(COc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737721541 1446859432 /nfs/dbraw/zinc/85/94/32/1446859432.db2.gz LAWKQIXGSRBMOT-UHFFFAOYSA-N -1 1 387.355 3.130 20 30 GGEDMM CCCCCCCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821049934 1446863367 /nfs/dbraw/zinc/86/33/67/1446863367.db2.gz OCEKCDVXNKWCNJ-UHFFFAOYSA-N -1 1 386.500 3.127 20 30 GGEDMM CSc1nc(C2CC2)cc(C(=O)O[C@@H](C#N)C2CCCCC2)c1-c1nnn[n-]1 ZINC000826231551 1446868289 /nfs/dbraw/zinc/86/82/89/1446868289.db2.gz PORCWPAHXMVYBE-HNNXBMFYSA-N -1 1 398.492 3.490 20 30 GGEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(Cl)c1Cl ZINC000822801862 1446878092 /nfs/dbraw/zinc/87/80/92/1446878092.db2.gz PSURBNPRFKWPNL-SECBINFHSA-N -1 1 379.232 3.230 20 30 GGEDMM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC000821346526 1446905122 /nfs/dbraw/zinc/90/51/22/1446905122.db2.gz LARWRGCPKRRMSH-NTMALXAHSA-N -1 1 384.417 3.219 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc(F)cc(C(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000822823668 1446905597 /nfs/dbraw/zinc/90/55/97/1446905597.db2.gz XEEQLUUAEARVKS-UHFFFAOYSA-N -1 1 376.273 3.149 20 30 GGEDMM N#Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)ccc1-c1nnn[n-]1 ZINC000737708933 1446910993 /nfs/dbraw/zinc/91/09/93/1446910993.db2.gz HTUJWZYJZHDBDB-UHFFFAOYSA-N -1 1 396.414 3.054 20 30 GGEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)cn2)nnc1-c1ccccc1C ZINC000819765999 1446911152 /nfs/dbraw/zinc/91/11/52/1446911152.db2.gz UETFIBVGPOYXCR-UHFFFAOYSA-N -1 1 376.449 3.166 20 30 GGEDMM C=C[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000819729168 1446943120 /nfs/dbraw/zinc/94/31/20/1446943120.db2.gz DUIFLNXUIUXDMY-CQSZACIVSA-N -1 1 378.436 3.450 20 30 GGEDMM C#CC[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000735375697 1446955099 /nfs/dbraw/zinc/95/50/99/1446955099.db2.gz PCRVEXIBBARLHP-LJQANCHMSA-N -1 1 391.431 3.119 20 30 GGEDMM CCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1OC ZINC000736643305 1446957708 /nfs/dbraw/zinc/95/77/08/1446957708.db2.gz GVFXUUVPKNQYRH-CLFYSBASSA-N -1 1 393.447 3.226 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000823958241 1446961403 /nfs/dbraw/zinc/96/14/03/1446961403.db2.gz GOBQOZCBEPMNTA-UHFFFAOYSA-N -1 1 395.854 3.483 20 30 GGEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccccc2-c2nnn[n-]2)S1 ZINC000826296997 1446965010 /nfs/dbraw/zinc/96/50/10/1446965010.db2.gz QVTKKFUVCOLSRJ-XNTDXEJSSA-N -1 1 376.445 3.375 20 30 GGEDMM Cc1cc(C(=O)N(CCC#N)C(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737227991 1446966538 /nfs/dbraw/zinc/96/65/38/1446966538.db2.gz RSUWOPNDDPEIJP-UHFFFAOYSA-N -1 1 377.452 3.039 20 30 GGEDMM Clc1cc(NN=Cc2cnn(Cc3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000826351580 1446971704 /nfs/dbraw/zinc/97/17/04/1446971704.db2.gz RWLPPPBYTOKNSW-UHFFFAOYSA-N -1 1 378.827 3.211 20 30 GGEDMM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737562390 1446973512 /nfs/dbraw/zinc/97/35/12/1446973512.db2.gz MSGNXHRKONPFOS-UHFFFAOYSA-N -1 1 389.350 3.093 20 30 GGEDMM Fc1cc(F)c(N=NCc2ccc(-c3nnn[n-]3)s2)c(Br)c1 ZINC000822753219 1446994308 /nfs/dbraw/zinc/99/43/08/1446994308.db2.gz JJGFBSBKWDOQBK-UHFFFAOYSA-N -1 1 385.197 3.415 20 30 GGEDMM C=CCCCC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OCC ZINC000819740064 1446994638 /nfs/dbraw/zinc/99/46/38/1446994638.db2.gz NGMFBUFOVWVJNE-UHFFFAOYSA-N -1 1 381.230 3.290 20 30 GGEDMM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735652920 1447009683 /nfs/dbraw/zinc/00/96/83/1447009683.db2.gz YJWHSLJYBKSYEZ-UHFFFAOYSA-N -1 1 376.420 3.053 20 30 GGEDMM Cc1c(C(C)N=Nc2c(F)cccc2F)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000735451115 1447012079 /nfs/dbraw/zinc/01/20/79/1447012079.db2.gz PFYVFMULQWFGFJ-UHFFFAOYSA-N -1 1 394.389 3.475 20 30 GGEDMM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824516048 1447035431 /nfs/dbraw/zinc/03/54/31/1447035431.db2.gz VNEPIHLORNVKJR-AWEZNQCLSA-N -1 1 397.442 3.235 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1cnn(C(C)C)c1 ZINC000735420699 1447052948 /nfs/dbraw/zinc/05/29/48/1447052948.db2.gz QKKKKMGCEZDCEW-OAHLLOKOSA-N -1 1 394.483 3.103 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)C2(C#N)CCC2)cc1 ZINC000737031970 1447071186 /nfs/dbraw/zinc/07/11/86/1447071186.db2.gz IBFMPTYEWBCQFY-UHFFFAOYSA-N -1 1 390.403 3.300 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(C#N)cc1OC(F)F ZINC000826251925 1447079035 /nfs/dbraw/zinc/07/90/35/1447079035.db2.gz GVRMGXPHXVARHN-UHFFFAOYSA-N -1 1 385.330 3.005 20 30 GGEDMM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823953791 1447089486 /nfs/dbraw/zinc/08/94/86/1447089486.db2.gz QKGPKGIYABWXLC-UHFFFAOYSA-N -1 1 393.194 3.313 20 30 GGEDMM C=CCOCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000735437823 1447106580 /nfs/dbraw/zinc/10/65/80/1447106580.db2.gz QWDBHPIWFSARKJ-UHFFFAOYSA-N -1 1 399.838 3.240 20 30 GGEDMM Cc1nn(C(C)(C)C)c(C)c1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000826332882 1447122088 /nfs/dbraw/zinc/12/20/88/1447122088.db2.gz LKCZNDHMNQCXSR-UHFFFAOYSA-N -1 1 385.476 3.167 20 30 GGEDMM Cc1cc(C)n(N=Cc2ccc(-c3cccc(F)c3C)o2)c(=O)c1-c1nnn[n-]1 ZINC000737256299 1447136844 /nfs/dbraw/zinc/13/68/44/1447136844.db2.gz JOYHPHBDQPRLAO-UHFFFAOYSA-N -1 1 392.394 3.235 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000737718217 1447147315 /nfs/dbraw/zinc/14/73/15/1447147315.db2.gz GADODXYHNCIAHC-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM N#C[C@H](C(=O)c1cncc(F)c1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822801796 1447181859 /nfs/dbraw/zinc/18/18/59/1447181859.db2.gz OTCQPVWXYWJLRI-CQSZACIVSA-N -1 1 391.391 3.014 20 30 GGEDMM N#Cc1ccc(Nc2cccc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000737721589 1447195168 /nfs/dbraw/zinc/19/51/68/1447195168.db2.gz MIWJUHNUVHONSC-UHFFFAOYSA-N -1 1 395.426 3.412 20 30 GGEDMM Cc1c(C(=O)C=Cc2cnn(Cc3ccccc3)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202337 1447213094 /nfs/dbraw/zinc/21/30/94/1447213094.db2.gz LMCHXMXRGUCXLV-KTKRTIGZSA-N -1 1 399.458 3.064 20 30 GGEDMM C=C(Cl)Cn1c(-c2cnn(C)c2)csc1=Nc1ccccc1-c1nn[n-]n1 ZINC000735402000 1447213144 /nfs/dbraw/zinc/21/31/44/1447213144.db2.gz DBBUSNZQIXGTQJ-UHFFFAOYSA-N -1 1 398.883 3.115 20 30 GGEDMM CCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC ZINC000821417765 1447235918 /nfs/dbraw/zinc/23/59/18/1447235918.db2.gz RFDRXKRWLYADHU-XNTDXEJSSA-N -1 1 376.416 3.487 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000737712087 1447254244 /nfs/dbraw/zinc/25/42/44/1447254244.db2.gz NUNSLPKMJGCZLD-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccnc(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359637 1447263930 /nfs/dbraw/zinc/26/39/30/1447263930.db2.gz MKCUISHZIOQLFU-VOTSOKGWSA-N -1 1 391.822 3.212 20 30 GGEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823958775 1447304163 /nfs/dbraw/zinc/30/41/63/1447304163.db2.gz VUBWNLKRWXEWAN-UHFFFAOYSA-N -1 1 393.194 3.313 20 30 GGEDMM COCCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821693700 1447306838 /nfs/dbraw/zinc/30/68/38/1447306838.db2.gz JYHUNVYWRQZYLW-LFIBNONCSA-N -1 1 376.416 3.104 20 30 GGEDMM N#Cc1ccc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737716993 1447328851 /nfs/dbraw/zinc/32/88/51/1447328851.db2.gz XYJWHLIEXBERKG-OAHLLOKOSA-N -1 1 386.337 3.413 20 30 GGEDMM C[C@@H](Nc1c(C#N)cnc2c(F)ccc(F)c21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139426 1447345092 /nfs/dbraw/zinc/34/50/92/1447345092.db2.gz QNKYJVWQBLZFNO-SNVBAGLBSA-N -1 1 377.358 3.160 20 30 GGEDMM CC(C)C[C@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735755068 1449011562 /nfs/dbraw/zinc/01/15/62/1449011562.db2.gz BCEUBQGRQBOTKC-GOSISDBHSA-N -1 1 390.447 3.114 20 30 GGEDMM Cc1c(C(=O)C=Cc2cn(C)nc2-c2ccccc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234221 1449021945 /nfs/dbraw/zinc/02/19/45/1449021945.db2.gz MVTSPVMDBWOQHQ-KHPPLWFESA-N -1 1 399.458 3.219 20 30 GGEDMM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000825603730 1449024870 /nfs/dbraw/zinc/02/48/70/1449024870.db2.gz ADSTXKRSOCTVNN-WAYWQWQTSA-N -1 1 386.433 3.240 20 30 GGEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC(F)F ZINC000826178579 1449033547 /nfs/dbraw/zinc/03/35/47/1449033547.db2.gz DFARZVWCZLTLLR-RQOWECAXSA-N -1 1 378.360 3.434 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1 ZINC000735419517 1449060332 /nfs/dbraw/zinc/06/03/32/1449060332.db2.gz UFDFJTJYKGXSRP-WOJBJXKFSA-N -1 1 389.459 3.194 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(-c2cccs2)n1 ZINC000826360152 1449060647 /nfs/dbraw/zinc/06/06/47/1449060647.db2.gz ZBUWWOAXPSKUOB-ALCCZGGFSA-N -1 1 380.408 3.364 20 30 GGEDMM Cn1cc(C=NNc2ccccc2Cl)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360653 1449070579 /nfs/dbraw/zinc/07/05/79/1449070579.db2.gz SLKRDEPQHYWYLA-UHFFFAOYSA-N -1 1 378.827 3.367 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1nc(C(C)C)cs1 ZINC000819745403 1449098252 /nfs/dbraw/zinc/09/82/52/1449098252.db2.gz BGBUMJAVJCBJFF-UHFFFAOYSA-N -1 1 397.508 3.344 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)nc2)cc1-c1nn[n-]n1 ZINC000737719337 1449149371 /nfs/dbraw/zinc/14/93/71/1449149371.db2.gz PFQYGYQGUFRFSP-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM N#Cc1ccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)cc1 ZINC000826385021 1449168336 /nfs/dbraw/zinc/16/83/36/1449168336.db2.gz UELQGVSMNOMSKG-UHFFFAOYSA-N -1 1 376.811 3.190 20 30 GGEDMM CCOC(=O)CCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821330393 1449193679 /nfs/dbraw/zinc/19/36/79/1449193679.db2.gz KIWLUDUOPHPPSG-FPLPWBNLSA-N -1 1 398.444 3.156 20 30 GGEDMM C=CCNc1ncc(C(=O)N(CC)[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819751653 1449278192 /nfs/dbraw/zinc/27/81/92/1449278192.db2.gz YSFMWZQVDGQYDO-GFCCVEGCSA-N -1 1 383.481 3.144 20 30 GGEDMM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820292406 1449318206 /nfs/dbraw/zinc/31/82/06/1449318206.db2.gz FIMBOYJFHVQHRH-CYBMUJFWSA-N -1 1 378.461 3.246 20 30 GGEDMM Cc1cc(C(=O)Nc2cc(C#N)ccc2O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177340 1449335134 /nfs/dbraw/zinc/33/51/34/1449335134.db2.gz XMWFTUISRQCZAD-UHFFFAOYSA-N -1 1 399.414 3.104 20 30 GGEDMM Cc1cc(C(=O)Nc2cc(C#N)ccc2O)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822177340 1449335140 /nfs/dbraw/zinc/33/51/40/1449335140.db2.gz XMWFTUISRQCZAD-UHFFFAOYSA-N -1 1 399.414 3.104 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccccc2Oc2cccnc2)ccc1-c1nn[n-]n1 ZINC000737709760 1449341225 /nfs/dbraw/zinc/34/12/25/1449341225.db2.gz QGQTWLSPCRKERJ-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(=O)CC)cc1 ZINC000819745467 1449353053 /nfs/dbraw/zinc/35/30/53/1449353053.db2.gz DZFFCNUVNHXBOR-UHFFFAOYSA-N -1 1 375.432 3.288 20 30 GGEDMM O=C(C=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1cnccn1 ZINC000737797037 1449362212 /nfs/dbraw/zinc/36/22/12/1449362212.db2.gz IETHIAGYPWYGBZ-FPLPWBNLSA-N -1 1 384.399 3.132 20 30 GGEDMM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000822806723 1449363850 /nfs/dbraw/zinc/36/38/50/1449363850.db2.gz SBOFAYOHVBFBNZ-BBRMVZONSA-N -1 1 390.472 3.440 20 30 GGEDMM C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000824753597 1449378187 /nfs/dbraw/zinc/37/81/87/1449378187.db2.gz FHGWVEQSHLVONI-NSHDSACASA-N -1 1 390.900 3.343 20 30 GGEDMM C[C@]1(C#N)CCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000824777560 1449382091 /nfs/dbraw/zinc/38/20/91/1449382091.db2.gz JTCCWQSHYWBVEN-OAQYLSRUSA-N -1 1 388.431 3.425 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000819758896 1449419234 /nfs/dbraw/zinc/41/92/34/1449419234.db2.gz JEEDBTUKIWBJNH-UITAMQMPSA-N -1 1 395.394 3.231 20 30 GGEDMM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnn(-c2ccccn2)c1C ZINC000823958318 1449422300 /nfs/dbraw/zinc/42/23/00/1449422300.db2.gz ISSLGVXKOHULAZ-UHFFFAOYSA-N -1 1 393.842 3.245 20 30 GGEDMM Cc1cc(C(=O)OCC2(CC#N)CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822183654 1449441078 /nfs/dbraw/zinc/44/10/78/1449441078.db2.gz JEMZAYPAZPRDIK-UHFFFAOYSA-N -1 1 376.420 3.125 20 30 GGEDMM N#CCCCOc1cccc(NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000822806931 1449659033 /nfs/dbraw/zinc/65/90/33/1449659033.db2.gz WITJHGIEEXQPPF-UHFFFAOYSA-N -1 1 381.371 3.332 20 30 GGEDMM N#Cc1ccc(CSCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822826464 1449677901 /nfs/dbraw/zinc/67/79/01/1449677901.db2.gz ZSQBDPZMUZVXES-UHFFFAOYSA-N -1 1 384.852 3.264 20 30 GGEDMM C#CCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819692292 1449692534 /nfs/dbraw/zinc/69/25/34/1449692534.db2.gz AHAQYDKPIRNOGB-UHFFFAOYSA-N -1 1 380.383 3.333 20 30 GGEDMM Fc1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c(Br)c1 ZINC000826374229 1449699929 /nfs/dbraw/zinc/69/99/29/1449699929.db2.gz QUHWCSSXFNQFQS-UHFFFAOYSA-N -1 1 396.611 3.263 20 30 GGEDMM C[C@H](Nc1ncccc1C#N)c1ccc(CNc2ncccc2-c2nn[n-]n2)cc1 ZINC000824669534 1449716754 /nfs/dbraw/zinc/71/67/54/1449716754.db2.gz DPSDFEVOUNNZMQ-AWEZNQCLSA-N -1 1 397.446 3.314 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(Br)cc2Cl)o1 ZINC000822423177 1449792376 /nfs/dbraw/zinc/79/23/76/1449792376.db2.gz IXVUIKGCIXLGGM-UHFFFAOYSA-N -1 1 382.609 3.025 20 30 GGEDMM C=CCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735449568 1449863051 /nfs/dbraw/zinc/86/30/51/1449863051.db2.gz RFZSYXYCYZJIRO-UHFFFAOYSA-N -1 1 394.435 3.194 20 30 GGEDMM COc1cccc2c1CC(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826217978 1449865002 /nfs/dbraw/zinc/86/50/02/1449865002.db2.gz KFHSSWZKEGJXHJ-XNTDXEJSSA-N -1 1 398.426 3.098 20 30 GGEDMM Cc1cccc(N(CCC#N)C(=O)CNc2cc(-c3nnn[n-]3)ccc2C)c1C ZINC000822220259 1449874954 /nfs/dbraw/zinc/87/49/54/1449874954.db2.gz JTQKWUGAWDADKA-UHFFFAOYSA-N -1 1 389.463 3.151 20 30 GGEDMM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c(O)c1 ZINC000826281198 1449886252 /nfs/dbraw/zinc/88/62/52/1449886252.db2.gz IGBBMZNMOOIDPN-NTMALXAHSA-N -1 1 386.415 3.177 20 30 GGEDMM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(O)c1 ZINC000826281198 1449886257 /nfs/dbraw/zinc/88/62/57/1449886257.db2.gz IGBBMZNMOOIDPN-NTMALXAHSA-N -1 1 386.415 3.177 20 30 GGEDMM N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822826121 1449912532 /nfs/dbraw/zinc/91/25/32/1449912532.db2.gz UQSPHODFBLKESH-UHFFFAOYSA-N -1 1 392.366 3.005 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000822145304 1449961345 /nfs/dbraw/zinc/96/13/45/1449961345.db2.gz QFWGLTWHOUXDNB-AEFFLSMTSA-N -1 1 388.431 3.390 20 30 GGEDMM CC(N=Nc1ncnc2c3ccccc3oc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823962279 1449982876 /nfs/dbraw/zinc/98/28/76/1449982876.db2.gz IVHWWBNFKWTZLX-UHFFFAOYSA-N -1 1 376.405 3.454 20 30 GGEDMM COc1ccc(C#N)cc1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000821770482 1449990899 /nfs/dbraw/zinc/99/08/99/1449990899.db2.gz VCSYLDZTHDSSNW-UHFFFAOYSA-N -1 1 386.209 3.088 20 30 GGEDMM Cc1cccc2c1OCC(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826304905 1450055192 /nfs/dbraw/zinc/05/51/92/1450055192.db2.gz CNYKXUQHQLDPPG-LICLKQGHSA-N -1 1 398.426 3.234 20 30 GGEDMM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736328019 1450114565 /nfs/dbraw/zinc/11/45/65/1450114565.db2.gz NIDFEJUGJOGCSK-CYBMUJFWSA-N -1 1 376.420 3.269 20 30 GGEDMM C#CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OCC ZINC000823856133 1450120990 /nfs/dbraw/zinc/12/09/90/1450120990.db2.gz KGVZTJFXCAYCFJ-FNORWQNLSA-N -1 1 380.429 3.235 20 30 GGEDMM CN(Cc1cccc(C#N)c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736822733 1450132704 /nfs/dbraw/zinc/13/27/04/1450132704.db2.gz RXRPEAJPJHJEHX-UHFFFAOYSA-N -1 1 399.361 3.004 20 30 GGEDMM C#Cc1cccc(NC(=S)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735391081 1450154851 /nfs/dbraw/zinc/15/48/51/1450154851.db2.gz KVAPVALCXZGLNE-UHFFFAOYSA-N -1 1 376.489 3.455 20 30 GGEDMM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000826498297 1450174201 /nfs/dbraw/zinc/17/42/01/1450174201.db2.gz ORYICLFAMNQEFV-UHFFFAOYSA-N -1 1 383.315 3.301 20 30 GGEDMM N#C[C@H](C(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2n1C(F)F ZINC000822801330 1450182835 /nfs/dbraw/zinc/18/28/35/1450182835.db2.gz HAVGJFFRZUHJQI-MRVPVSSYSA-N -1 1 385.359 3.163 20 30 GGEDMM C#CCN(CC#CC)C(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823846152 1450200433 /nfs/dbraw/zinc/20/04/33/1450200433.db2.gz ZVOCPEIIYWDKHM-QGZVFWFLSA-N -1 1 398.470 3.263 20 30 GGEDMM N#Cc1ccccc1NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000737727909 1450232027 /nfs/dbraw/zinc/23/20/27/1450232027.db2.gz UIEWCNMYQDCHRT-UHFFFAOYSA-N -1 1 386.371 3.163 20 30 GGEDMM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)N(C)CCC#N ZINC000822211513 1450237021 /nfs/dbraw/zinc/23/70/21/1450237021.db2.gz BVBHGRIBUDOXCT-UHFFFAOYSA-N -1 1 377.408 3.345 20 30 GGEDMM C[C@H](CSCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820291929 1450238147 /nfs/dbraw/zinc/23/81/47/1450238147.db2.gz AKNQKPZDSSVQOH-CYBMUJFWSA-N -1 1 378.461 3.246 20 30 GGEDMM CC(C)CN(CCC#N)C(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000735827063 1450268346 /nfs/dbraw/zinc/26/83/46/1450268346.db2.gz CDGLHTVJVVKXJI-UHFFFAOYSA-N -1 1 394.435 3.051 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000735418458 1450333994 /nfs/dbraw/zinc/33/39/94/1450333994.db2.gz DXBAPUMTNDKJCL-HZPDHXFCSA-N -1 1 395.413 3.463 20 30 GGEDMM Cc1ccccc1-c1nc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cs1 ZINC000737418933 1450346485 /nfs/dbraw/zinc/34/64/85/1450346485.db2.gz SNMUTFWUUVSRNI-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2c3ccc(Cl)c(Cl)c3O[C@H]2C)o1 ZINC000737468135 1450357054 /nfs/dbraw/zinc/35/70/54/1450357054.db2.gz ZVXDTWRAMHCNFB-YFKPBYRVSA-N -1 1 380.195 3.067 20 30 GGEDMM CCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821206787 1450376313 /nfs/dbraw/zinc/37/63/13/1450376313.db2.gz FIPVQULDPHQHCK-UHFFFAOYSA-N -1 1 377.408 3.426 20 30 GGEDMM C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136671 1450380739 /nfs/dbraw/zinc/38/07/39/1450380739.db2.gz GNGUYMUKTQDKOY-LLVKDONJSA-N -1 1 386.375 3.368 20 30 GGEDMM Cc1cccc(OCCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737400384 1450384614 /nfs/dbraw/zinc/38/46/14/1450384614.db2.gz AXIUMTABYGGJJU-UHFFFAOYSA-N -1 1 376.420 3.235 20 30 GGEDMM C=CCOc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cc1 ZINC000681125688 1450424263 /nfs/dbraw/zinc/42/42/63/1450424263.db2.gz PJAGHSCCGXYHJD-INIZCTEOSA-N -1 1 387.802 3.076 20 30 GGEDMM CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820607259 945499074 /nfs/dbraw/zinc/49/90/74/945499074.db2.gz NXPNTRORWFZDHW-ZPHPHTNESA-N -1 1 398.517 3.452 20 30 GGEDMM CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820607259 945499080 /nfs/dbraw/zinc/49/90/80/945499080.db2.gz NXPNTRORWFZDHW-ZPHPHTNESA-N -1 1 398.517 3.452 20 30 GGEDMM COC(=O)CCCC[C@H](C)C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000821660497 945783533 /nfs/dbraw/zinc/78/35/33/945783533.db2.gz UEOSIFUEMGWOIG-NSHDSACASA-N -1 1 391.476 3.310 20 30 GGEDMM COC(=O)CCCC[C@@H](C)C(C)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000821660496 945784343 /nfs/dbraw/zinc/78/43/43/945784343.db2.gz UEOSIFUEMGWOIG-LLVKDONJSA-N -1 1 391.476 3.310 20 30 GGEDMM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nnn[n-]4)s3)s2)cc1 ZINC000822825415 946199169 /nfs/dbraw/zinc/19/91/69/946199169.db2.gz FBMXYGUIYODPQF-UHFFFAOYSA-N -1 1 393.457 3.099 20 30 GGEDMM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nn[n-]n4)s3)s2)cc1 ZINC000822825415 946199177 /nfs/dbraw/zinc/19/91/77/946199177.db2.gz FBMXYGUIYODPQF-UHFFFAOYSA-N -1 1 393.457 3.099 20 30 GGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000824141477 946599395 /nfs/dbraw/zinc/59/93/95/946599395.db2.gz HWFJKTOGYFUPJG-UHFFFAOYSA-N -1 1 390.791 3.160 20 30 GGEDMM C#Cc1ccc([C@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C(F)(F)F)cc1 ZINC001573290599 946908130 /nfs/dbraw/zinc/90/81/30/946908130.db2.gz MJMASDWAQOAVDT-ZDUSSCGKSA-N -1 1 378.335 3.370 20 30 GGEDMM C#Cc1ccc([C@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C(F)(F)F)cc1 ZINC001573290599 946908138 /nfs/dbraw/zinc/90/81/38/946908138.db2.gz MJMASDWAQOAVDT-ZDUSSCGKSA-N -1 1 378.335 3.370 20 30 GGEDMM CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001602882649 971766865 /nfs/dbraw/zinc/76/68/65/971766865.db2.gz GSXGIXCQJPFMLH-IBGZPJMESA-N -1 1 386.492 3.072 20 30 GGEDMM CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001602882650 971766935 /nfs/dbraw/zinc/76/69/35/971766935.db2.gz GSXGIXCQJPFMLH-LJQANCHMSA-N -1 1 386.492 3.072 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588542632 958972668 /nfs/dbraw/zinc/97/26/68/958972668.db2.gz AFHDAHSZQWTYRM-QAPCUYQASA-N -1 1 397.500 3.162 20 30 GGEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588544999 958990655 /nfs/dbraw/zinc/99/06/55/958990655.db2.gz GDRKAGZUFWSUDH-HZPDHXFCSA-N -1 1 375.444 3.038 20 30 GGEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](C(=O)[O-])C[C@H](C)C2)c1C#N ZINC001594252542 959622225 /nfs/dbraw/zinc/62/22/25/959622225.db2.gz AMMLNJGRKCAODF-XJKSGUPXSA-N -1 1 386.496 3.073 20 30 GGEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1C#N ZINC001594252541 959622273 /nfs/dbraw/zinc/62/22/73/959622273.db2.gz AMMLNJGRKCAODF-CZUORRHYSA-N -1 1 386.496 3.073 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1C#N ZINC001574298436 960712388 /nfs/dbraw/zinc/71/23/88/960712388.db2.gz CKWRWECZAATPBJ-YOEHRIQHSA-N -1 1 394.475 3.089 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@H](C(=O)[O-])CC[C@H]2C)c1C#N ZINC001574298434 960712631 /nfs/dbraw/zinc/71/26/31/960712631.db2.gz CKWRWECZAATPBJ-RHSMWYFYSA-N -1 1 394.475 3.089 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC001588989315 962797640 /nfs/dbraw/zinc/79/76/40/962797640.db2.gz DLYYUIFDRALWOU-MAUKXSAKSA-N -1 1 397.500 3.305 20 30 GGEDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000451083098 974150350 /nfs/dbraw/zinc/15/03/50/974150350.db2.gz HJKXCSBWDCQUQQ-UHFFFAOYSA-N -1 1 378.406 3.136 20 30 GGEDMM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000509603863 974283680 /nfs/dbraw/zinc/28/36/80/974283680.db2.gz RZPMWNRYIGZIEW-UHFFFAOYSA-N -1 1 392.408 3.292 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(C(F)(F)F)c1 ZINC000611103508 975017895 /nfs/dbraw/zinc/01/78/95/975017895.db2.gz UFWWFYNRBQUBBU-UHFFFAOYSA-N -1 1 388.298 3.215 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC001592226478 977419283 /nfs/dbraw/zinc/41/92/83/977419283.db2.gz ZENIQNLHKUPVIT-UONOGXRCSA-N -1 1 375.494 3.204 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC001592226479 977419751 /nfs/dbraw/zinc/41/97/51/977419751.db2.gz ZENIQNLHKUPVIT-ZIAGYGMSSA-N -1 1 375.494 3.204 20 30 GGEDMM CC(C)c1c(Cl)ncnc1N=NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000797404969 978832907 /nfs/dbraw/zinc/83/29/07/978832907.db2.gz STDBHVASMMJNMN-UHFFFAOYSA-N -1 1 393.787 3.071 20 30 GGEDMM C=CCOc1c(Cl)cc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)cc1OC ZINC000900074859 980246920 /nfs/dbraw/zinc/24/69/20/980246920.db2.gz ZVNXTJZAXTVYHU-AWEZNQCLSA-N -1 1 391.855 3.433 20 30 GGEDMM C=CCOc1c(Cl)cc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1OC ZINC000900074860 980247971 /nfs/dbraw/zinc/24/79/71/980247971.db2.gz ZVNXTJZAXTVYHU-CQSZACIVSA-N -1 1 391.855 3.433 20 30 GGEDMM Cc1nn(CCC(=O)[O-])c(C)c1CNCC#Cc1ccc(C(F)(F)F)cc1 ZINC000902390952 980867507 /nfs/dbraw/zinc/86/75/07/980867507.db2.gz NTDQRVQCKBHNAI-UHFFFAOYSA-N -1 1 379.382 3.135 20 30 GGEDMM CCCN(Cc1cccc(C(=O)[O-])c1C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595900166 982950299 /nfs/dbraw/zinc/95/02/99/982950299.db2.gz QICLSVHTHFNBHO-MRXNPFEDSA-N -1 1 387.480 3.478 20 30 GGEDMM C=C(C)C[C@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C(=O)[O-] ZINC001588553659 983628519 /nfs/dbraw/zinc/62/85/19/983628519.db2.gz PCQCYBKJDITECF-INIZCTEOSA-N -1 1 377.441 3.476 20 30 GGEDMM C=CC[C@H]1N(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CCCC1(C)C ZINC001588773947 984150315 /nfs/dbraw/zinc/15/03/15/984150315.db2.gz NRMHKXROPCVTEF-QGZVFWFLSA-N -1 1 388.464 3.177 20 30 GGEDMM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001588882351 984462678 /nfs/dbraw/zinc/46/26/78/984462678.db2.gz OLOWKIUKWXTWRJ-FQEVSTJZSA-N -1 1 379.428 3.240 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3scc(C(=O)[O-])c3C)[nH]n2)c1C ZINC001588912831 984552880 /nfs/dbraw/zinc/55/28/80/984552880.db2.gz PFQGBVSFCXAVJA-UHFFFAOYSA-N -1 1 385.449 3.396 20 30 GGEDMM C[C@H](CN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1)C(=O)[O-] ZINC001589331472 986186520 /nfs/dbraw/zinc/18/65/20/986186520.db2.gz FPTYEUKNMXKVSJ-UONOGXRCSA-N -1 1 375.494 3.062 20 30 GGEDMM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001597585803 988398542 /nfs/dbraw/zinc/39/85/42/988398542.db2.gz WRGCIRIGHOYLMX-SOGBHIHOSA-N -1 1 380.400 3.463 20 30 GGEDMM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001597585802 988398946 /nfs/dbraw/zinc/39/89/46/988398946.db2.gz WRGCIRIGHOYLMX-SLWQEBJJSA-N -1 1 380.400 3.463 20 30 GGEDMM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001597585801 988399098 /nfs/dbraw/zinc/39/90/98/988399098.db2.gz WRGCIRIGHOYLMX-PXUDHTSWSA-N -1 1 380.400 3.463 20 30 GGEDMM CC(C)(C)OC(=O)N1CC[C@@]2(NCc3cccc(C(=O)[O-])c3C#N)CCC[C@@H]12 ZINC001590073745 989157795 /nfs/dbraw/zinc/15/77/95/989157795.db2.gz CEXVRUCCHNISTE-UTKZUKDTSA-N -1 1 385.464 3.278 20 30 GGEDMM CC(C)(C)OC(=O)N1CCc2ccc(CN3CCC(C#N)(C(=O)[O-])CC3)cc2C1 ZINC001590084674 989194967 /nfs/dbraw/zinc/19/49/67/989194967.db2.gz GTUFAEFGKAWOHL-UHFFFAOYSA-N -1 1 399.491 3.170 20 30 GGEDMM CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(C(=O)[O-])nc1C#N ZINC001598538033 992863260 /nfs/dbraw/zinc/86/32/60/992863260.db2.gz YNVADYRYTOOVIU-UHFFFAOYSA-N -1 1 375.310 3.183 20 30 GGEDMM C[C@@H](NCc1ccc(C#N)cc1OC(F)F)c1ccc(OCC(=O)[O-])cc1 ZINC001593292217 994676383 /nfs/dbraw/zinc/67/63/83/994676383.db2.gz JFVPQGZJPLTXFH-GFCCVEGCSA-N -1 1 376.359 3.474 20 30 GGEDMM COc1cc(C=NNc2cncnc2)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC001599399374 997187908 /nfs/dbraw/zinc/18/79/08/997187908.db2.gz GRLIQCZQXWVZKH-UHFFFAOYSA-N -1 1 378.388 3.208 20 30 GGEDMM COc1cc(Br)ccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599348997 998060963 /nfs/dbraw/zinc/06/09/63/998060963.db2.gz ZNTJJSIMRICPML-MRXNPFEDSA-N -1 1 375.222 3.245 20 30 GGEDMM COc1ccc(CN(Cc2cccc(C(=O)[O-])c2C#N)[C@H](CO)C(C)C)cc1 ZINC001599559428 998160916 /nfs/dbraw/zinc/16/09/16/998160916.db2.gz ATKPIZVDOBSOBM-OAQYLSRUSA-N -1 1 382.460 3.284 20 30 GGEDMM COc1ccc(C#N)cc1CN(CC(=O)[O-])Cc1cccc(Br)c1 ZINC001599477015 998549304 /nfs/dbraw/zinc/54/93/04/998549304.db2.gz SYRBUEKWHNXOAD-UHFFFAOYSA-N -1 1 389.249 3.416 20 30 GGEDMM C=CCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000006177762 212069089 /nfs/dbraw/zinc/06/90/89/212069089.db2.gz QLCGANAGHKPUAB-UHFFFAOYSA-N -1 1 384.379 3.422 20 30 GGEDMM Cc1c(=O)[n-]c(SCC(=O)Nc2sccc2C#N)nc1-c1ccccc1 ZINC000095941633 211283804 /nfs/dbraw/zinc/28/38/04/211283804.db2.gz ZWEFUKWDHVERBC-UHFFFAOYSA-N -1 1 382.470 3.409 20 30 GGEDMM C#CCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000022762922 518277444 /nfs/dbraw/zinc/27/74/44/518277444.db2.gz VDNKLSDJSOEOIW-UHFFFAOYSA-N -1 1 397.283 3.086 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3n[nH]c4ccccc43)n2)n[n-]c1=S ZINC000024752127 519193739 /nfs/dbraw/zinc/19/37/39/519193739.db2.gz WMKMTOSNRXYZIE-UHFFFAOYSA-N -1 1 397.489 3.303 20 30 GGEDMM CCOc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1O[C@H](C)C(=O)N(C)C ZINC000014201569 520630766 /nfs/dbraw/zinc/63/07/66/520630766.db2.gz LVQVTLLSYCSERL-RBFBNPFJSA-N -1 1 397.427 3.263 20 30 GGEDMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000116159810 564204733 /nfs/dbraw/zinc/20/47/33/564204733.db2.gz GNHKENDDLWZPHO-XMMPIXPASA-N -1 1 376.503 3.406 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1I ZINC000007051274 564230958 /nfs/dbraw/zinc/23/09/58/564230958.db2.gz NJTGDDMGVSAFBP-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1Cl ZINC000118161481 564236851 /nfs/dbraw/zinc/23/68/51/564236851.db2.gz ZFUGEGLUHAJCKA-UHFFFAOYSA-N -1 1 376.800 3.337 20 30 GGEDMM Cc1ccc(C(=O)N[C@@H](C)C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000125730382 564524573 /nfs/dbraw/zinc/52/45/73/564524573.db2.gz WTQSHLCMPNDDAV-LBPRGKRZSA-N -1 1 377.853 3.091 20 30 GGEDMM CC(=O)N[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000051265884 564563182 /nfs/dbraw/zinc/56/31/82/564563182.db2.gz HSLYSORMWLHYBW-JTQLQIEISA-N -1 1 375.738 3.332 20 30 GGEDMM Cc1cc(I)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000057432204 564667594 /nfs/dbraw/zinc/66/75/94/564667594.db2.gz VSFCCVJYVCWYJP-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM CN(CC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000060294851 564696802 /nfs/dbraw/zinc/69/68/02/564696802.db2.gz GFCASLUYSUQZKJ-UHFFFAOYSA-N -1 1 398.271 3.390 20 30 GGEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000063442633 564717874 /nfs/dbraw/zinc/71/78/74/564717874.db2.gz CKIWYXTYGJUQMH-UHFFFAOYSA-N -1 1 380.853 3.428 20 30 GGEDMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000101576878 564918345 /nfs/dbraw/zinc/91/83/45/564918345.db2.gz KNTNPTWHCCLTGN-MRXNPFEDSA-N -1 1 382.869 3.497 20 30 GGEDMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000153967162 565019238 /nfs/dbraw/zinc/01/92/38/565019238.db2.gz FGWSKYIKODGGIT-UHFFFAOYSA-N -1 1 379.235 3.324 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)NC(=O)CC3)c(Cl)c1 ZINC000156930260 565112209 /nfs/dbraw/zinc/11/22/09/565112209.db2.gz LUPAIZQHYRLXLZ-UHFFFAOYSA-N -1 1 379.800 3.036 20 30 GGEDMM N#CCc1ccc([N-]S(=O)(=O)c2cccc(I)c2)cc1 ZINC000158025732 565154704 /nfs/dbraw/zinc/15/47/04/565154704.db2.gz JFLOXMKNNDFWEF-UHFFFAOYSA-N -1 1 398.225 3.158 20 30 GGEDMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000185560731 565207899 /nfs/dbraw/zinc/20/78/99/565207899.db2.gz RMBVLQXHDMKBHW-UHFFFAOYSA-N -1 1 381.251 3.325 20 30 GGEDMM N#C[C@H]1N(C(=O)c2ccc(Br)cc2[O-])CCC[C@@]12CCCCO2 ZINC000373379468 565281085 /nfs/dbraw/zinc/28/10/85/565281085.db2.gz WTDXUOLJEBQBLU-WBVHZDCISA-N -1 1 379.254 3.222 20 30 GGEDMM C[C@@H](Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1)C(=O)[O-] ZINC000187046618 565305069 /nfs/dbraw/zinc/30/50/69/565305069.db2.gz XBPCSWPKNVSMRP-NSHDSACASA-N -1 1 378.837 3.276 20 30 GGEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(Br)cc3[O-])CCO2)c1 ZINC000374357809 565333923 /nfs/dbraw/zinc/33/39/23/565333923.db2.gz LFZHTMHLHMKCNZ-KRWDZBQOSA-N -1 1 387.233 3.240 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1[O-] ZINC000188249988 565390303 /nfs/dbraw/zinc/39/03/03/565390303.db2.gz DGEKWLXUYORMBS-OAHLLOKOSA-N -1 1 386.249 3.035 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)cc1[O-] ZINC000188387037 565398958 /nfs/dbraw/zinc/39/89/58/565398958.db2.gz DFQVRCQATAEIBU-AWEZNQCLSA-N -1 1 386.249 3.035 20 30 GGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(I)c1 ZINC000172487460 565488509 /nfs/dbraw/zinc/48/85/09/565488509.db2.gz CCDWNSSCQFNMEU-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM C=CCOCCCC(=O)Nc1nc(C)c(-c2n[n-]c(=S)n2CC=C)s1 ZINC000173249979 565540989 /nfs/dbraw/zinc/54/09/89/565540989.db2.gz PEVFCKFUAYKXAJ-UHFFFAOYSA-N -1 1 379.511 3.480 20 30 GGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1Br ZINC000388658348 565552059 /nfs/dbraw/zinc/55/20/59/565552059.db2.gz FTDVCULVZFOVRJ-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)ccc1C#N ZINC000389195710 565553653 /nfs/dbraw/zinc/55/36/53/565553653.db2.gz OMKUXFQBSWLTPO-UHFFFAOYSA-N -1 1 376.235 3.302 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C#N)c(Br)c1 ZINC000389953374 565555014 /nfs/dbraw/zinc/55/50/14/565555014.db2.gz AFDSQICUUSCDHK-UHFFFAOYSA-N -1 1 376.235 3.302 20 30 GGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000392685790 565565343 /nfs/dbraw/zinc/56/53/43/565565343.db2.gz HANPEBKMCMYXOH-UHFFFAOYSA-N -1 1 382.825 3.038 20 30 GGEDMM N#CCCC1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000399332064 565579367 /nfs/dbraw/zinc/57/93/67/565579367.db2.gz BOQKLDMOWMJGBH-UHFFFAOYSA-N -1 1 384.217 3.153 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1Br ZINC000318611985 565596622 /nfs/dbraw/zinc/59/66/22/565596622.db2.gz XADWXNMLKUUCIS-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1Cl ZINC000192127803 565661457 /nfs/dbraw/zinc/66/14/57/565661457.db2.gz RUGFRFQQBKWAJP-LBPRGKRZSA-N -1 1 398.893 3.135 20 30 GGEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410336057 565678042 /nfs/dbraw/zinc/67/80/42/565678042.db2.gz ZMIVRQMQVQUCGP-UHFFFAOYSA-N -1 1 380.298 3.347 20 30 GGEDMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cc(C#N)c(Br)cn2)c1 ZINC000410338744 565678311 /nfs/dbraw/zinc/67/83/11/565678311.db2.gz UWLNQJLBTFISRC-UHFFFAOYSA-N -1 1 380.267 3.275 20 30 GGEDMM CC[C@H](NC(=O)c1ccc(I)c([O-])c1)[C@H]1CCCO1 ZINC000330865946 565726184 /nfs/dbraw/zinc/72/61/84/565726184.db2.gz OCZXXOVSAUDHNX-WCQYABFASA-N -1 1 375.206 3.259 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)CC[C@H]3CCOC3)nc2C)n[n-]c1=S ZINC000175928025 565734405 /nfs/dbraw/zinc/73/44/05/565734405.db2.gz GPSGWWZMHZSNPC-NSHDSACASA-N -1 1 379.511 3.314 20 30 GGEDMM C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc([O-])c(Br)cc1Br ZINC000412293556 565778715 /nfs/dbraw/zinc/77/87/15/565778715.db2.gz SHISWLIQFPCMPQ-KRTXAFLBSA-N -1 1 391.059 3.447 20 30 GGEDMM C[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000194742039 565833379 /nfs/dbraw/zinc/83/33/79/565833379.db2.gz PPNANMLZKNVHIG-GFCCVEGCSA-N -1 1 377.853 3.173 20 30 GGEDMM C[C@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000194745766 565833950 /nfs/dbraw/zinc/83/39/50/565833950.db2.gz FWNHAAHRKAGEJK-GFCCVEGCSA-N -1 1 377.853 3.173 20 30 GGEDMM C=CCNC(=O)c1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000195705317 565891467 /nfs/dbraw/zinc/89/14/67/565891467.db2.gz ABBPTLQIGWTXSI-UHFFFAOYSA-N -1 1 375.222 3.323 20 30 GGEDMM N#CCc1ccc(NC(=O)c2ccc(I)c([O-])c2)cc1 ZINC000230886721 565929014 /nfs/dbraw/zinc/92/90/14/565929014.db2.gz DQSAASJXCBEZPB-UHFFFAOYSA-N -1 1 378.169 3.315 20 30 GGEDMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Br)ccc2C#N)o1 ZINC000416482398 566074390 /nfs/dbraw/zinc/07/43/90/566074390.db2.gz FTPGZHNQMSCKLW-UHFFFAOYSA-N -1 1 398.282 3.048 20 30 GGEDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)Cc1cccc(Br)c1 ZINC000576418722 566343226 /nfs/dbraw/zinc/34/32/26/566343226.db2.gz JNSLZFGXOLGCLY-GFCCVEGCSA-N -1 1 397.294 3.461 20 30 GGEDMM N#Cc1ccc(C(=O)NCc2cnn(-c3ccc(Br)cc3)c2)cc1[O-] ZINC000447062640 566383200 /nfs/dbraw/zinc/38/32/00/566383200.db2.gz CGBQBQFUZFVNLB-UHFFFAOYSA-N -1 1 397.232 3.142 20 30 GGEDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)[C@H](O)C(F)(F)F ZINC000670855394 566383868 /nfs/dbraw/zinc/38/38/68/566383868.db2.gz SXRNESCHSJNJHM-QWRGUYRKSA-N -1 1 397.312 3.071 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(SC)c2C)c1 ZINC000557423570 566385506 /nfs/dbraw/zinc/38/55/06/566385506.db2.gz IALKFGXKNMUCIS-UHFFFAOYSA-N -1 1 376.503 3.434 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2cnc(-c3ccc(Cl)cc3)s2)o1 ZINC000557432237 566386607 /nfs/dbraw/zinc/38/66/07/566386607.db2.gz FAHDFBRXUVNWPL-UHFFFAOYSA-N -1 1 379.850 3.407 20 30 GGEDMM N#C[C@H]1N(C(=O)c2ccc(Br)c([O-])c2)CCC[C@]12CCCCO2 ZINC000577674905 566454479 /nfs/dbraw/zinc/45/44/79/566454479.db2.gz UOBVQLPJUFUVJO-NVXWUHKLSA-N -1 1 379.254 3.222 20 30 GGEDMM C[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000512009431 566503948 /nfs/dbraw/zinc/50/39/48/566503948.db2.gz MDBGNMVHZHNRBL-LBPRGKRZSA-N -1 1 377.853 3.173 20 30 GGEDMM C=CCSCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000512411835 566532927 /nfs/dbraw/zinc/53/29/27/566532927.db2.gz QHTWFALBCLMOFW-UHFFFAOYSA-N -1 1 376.750 3.362 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1Cl ZINC000603972896 566549406 /nfs/dbraw/zinc/54/94/06/566549406.db2.gz ZSUFFMHWMIYHRX-UHFFFAOYSA-N -1 1 379.850 3.057 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CSc3ccc(Br)cc32)o1 ZINC000579038756 566575033 /nfs/dbraw/zinc/57/50/33/566575033.db2.gz SFZGRFUZSLIASR-LLVKDONJSA-N -1 1 385.264 3.039 20 30 GGEDMM C=CCCC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000579299385 566596387 /nfs/dbraw/zinc/59/63/87/566596387.db2.gz VUBCQKLOENCUMS-LLVKDONJSA-N -1 1 379.309 3.133 20 30 GGEDMM N#CC1(NC(=O)c2c([O-])cnc3c(Br)cccc32)CCSCC1 ZINC000486816945 566625769 /nfs/dbraw/zinc/62/57/69/566625769.db2.gz FEQAHZZTOFKIIM-UHFFFAOYSA-N -1 1 392.278 3.222 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000561545521 566718569 /nfs/dbraw/zinc/71/85/69/566718569.db2.gz APIJCHXCVBIMQN-INIZCTEOSA-N -1 1 380.853 3.251 20 30 GGEDMM COc1ccc(Br)cc1[C@H](NCc1ccc(C#N)cc1)C(=O)[O-] ZINC000426746469 566726915 /nfs/dbraw/zinc/72/69/15/566726915.db2.gz YNKKBDFNOYDDMC-INIZCTEOSA-N -1 1 375.222 3.245 20 30 GGEDMM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1C ZINC000581034136 566744105 /nfs/dbraw/zinc/74/41/05/566744105.db2.gz ZQGNIRWESOGBAI-UHFFFAOYSA-N -1 1 381.797 3.238 20 30 GGEDMM C=CCCCS(=O)(=O)[N-]c1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000427774976 566795628 /nfs/dbraw/zinc/79/56/28/566795628.db2.gz SAXIUBDQAAVTFA-UHFFFAOYSA-N -1 1 380.491 3.195 20 30 GGEDMM COCCN(Cc1cc(Br)cs1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000427809478 566800421 /nfs/dbraw/zinc/80/04/21/566800421.db2.gz ZUWBDECVUPXXKH-UHFFFAOYSA-N -1 1 395.278 3.377 20 30 GGEDMM C[C@H](NC(=O)c1cc(I)ccc1[O-])c1cccc(C#N)c1 ZINC000610366694 566826506 /nfs/dbraw/zinc/82/65/06/566826506.db2.gz RJICALFTSHHGGI-JTQLQIEISA-N -1 1 392.196 3.359 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Br)CCC2)o1 ZINC000490475082 566857212 /nfs/dbraw/zinc/85/72/12/566857212.db2.gz GHNXYQMNUYCQPE-UHFFFAOYSA-N -1 1 395.278 3.314 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000582853169 566900023 /nfs/dbraw/zinc/90/00/23/566900023.db2.gz LISVGZCCAVTQLB-LLVKDONJSA-N -1 1 382.429 3.401 20 30 GGEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)N=c1cc(-c2ccc(Br)s2)[n-][nH]1 ZINC000429111245 566909129 /nfs/dbraw/zinc/90/91/29/566909129.db2.gz SFHFHZWQSCIPRD-YMTOWFKASA-N -1 1 382.283 3.242 20 30 GGEDMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1ccc(F)cc1C(F)(F)F ZINC000519572823 566948643 /nfs/dbraw/zinc/94/86/43/566948643.db2.gz RRYORZAFKSLHRE-UHFFFAOYSA-N -1 1 377.241 3.387 20 30 GGEDMM N#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000544255207 566950435 /nfs/dbraw/zinc/95/04/35/566950435.db2.gz LXNWXKHGTNKOFF-UHFFFAOYSA-N -1 1 377.853 3.174 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000564548938 566986011 /nfs/dbraw/zinc/98/60/11/566986011.db2.gz DUEJXEIWKFHOJL-NSHDSACASA-N -1 1 382.429 3.259 20 30 GGEDMM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000583835909 566987586 /nfs/dbraw/zinc/98/75/86/566987586.db2.gz YZNPMEYXKOOMAH-LBPRGKRZSA-N -1 1 386.392 3.038 20 30 GGEDMM CN1Cc2cccc([N-]S(=O)(=O)c3cc(Br)cc(C#N)c3)c2C1 ZINC000564670915 566998335 /nfs/dbraw/zinc/99/83/35/566998335.db2.gz CPKSGQFCNPHGQG-UHFFFAOYSA-N -1 1 392.278 3.067 20 30 GGEDMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)c1cccc(C#N)c1 ZINC000612829103 566999051 /nfs/dbraw/zinc/99/90/51/566999051.db2.gz HXKTUNHMBBYFNB-SNVBAGLBSA-N -1 1 392.196 3.359 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c(Cl)c1 ZINC000494420474 567000298 /nfs/dbraw/zinc/00/02/98/567000298.db2.gz DSLFIKMULGISPQ-UHFFFAOYSA-N -1 1 376.800 3.337 20 30 GGEDMM C=CCN(CCc1ccco1)C(=O)c1ccc(I)c([O-])c1 ZINC000544879935 567004651 /nfs/dbraw/zinc/00/46/51/567004651.db2.gz GORXIWIAHKWHNY-UHFFFAOYSA-N -1 1 397.212 3.461 20 30 GGEDMM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000584332698 567033205 /nfs/dbraw/zinc/03/32/05/567033205.db2.gz HTPMJZFBOLGGMO-SFYZADRCSA-N -1 1 386.720 3.176 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000614298116 567102143 /nfs/dbraw/zinc/10/21/43/567102143.db2.gz MOEKNGWJIRYALV-QGZVFWFLSA-N -1 1 387.233 3.240 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)c1 ZINC000614367365 567107087 /nfs/dbraw/zinc/10/70/87/567107087.db2.gz IATFUJKSFPGKSE-CQSZACIVSA-N -1 1 386.249 3.035 20 30 GGEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)Oc1ccccc1Br ZINC000614371010 567107459 /nfs/dbraw/zinc/10/74/59/567107459.db2.gz ZFPVORPORWFRIK-NSHDSACASA-N -1 1 375.222 3.224 20 30 GGEDMM Cc1cc(I)cc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000588031736 567109764 /nfs/dbraw/zinc/10/97/64/567109764.db2.gz RFLUXUYHRMNTRI-UHFFFAOYSA-N -1 1 378.169 3.429 20 30 GGEDMM N#Cc1cccc([C@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCO2)c1 ZINC000497714433 567120131 /nfs/dbraw/zinc/12/01/31/567120131.db2.gz SXNYERBUSWIXBN-QGZVFWFLSA-N -1 1 387.233 3.240 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C2(c3ccccc3)CC2)cc1Br ZINC000589126483 567157065 /nfs/dbraw/zinc/15/70/65/567157065.db2.gz OHDCVVXWIIWJFY-UHFFFAOYSA-N -1 1 395.253 3.427 20 30 GGEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)Oc1ccc(Br)cc1 ZINC000589187602 567162262 /nfs/dbraw/zinc/16/22/62/567162262.db2.gz BXBKADMHJQBGJY-NSHDSACASA-N -1 1 375.222 3.224 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000589177725 567162442 /nfs/dbraw/zinc/16/24/42/567162442.db2.gz NDXFKAZNCFLXJT-HNNXBMFYSA-N -1 1 386.249 3.035 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000589177726 567163610 /nfs/dbraw/zinc/16/36/10/567163610.db2.gz NDXFKAZNCFLXJT-OAHLLOKOSA-N -1 1 386.249 3.035 20 30 GGEDMM Cc1ccc(I)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589204766 567166559 /nfs/dbraw/zinc/16/65/59/567166559.db2.gz HPLPOZVTYVUDHI-UHFFFAOYSA-N -1 1 378.169 3.429 20 30 GGEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000546918708 567172222 /nfs/dbraw/zinc/17/22/22/567172222.db2.gz VRERPSMLGHODBZ-MEBBXXQBSA-N -1 1 384.217 3.199 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2c[nH]c3cccc(Br)c23)c1 ZINC000589537868 567183690 /nfs/dbraw/zinc/18/36/90/567183690.db2.gz XGHSNWZMQKNNFN-UHFFFAOYSA-N -1 1 384.233 3.480 20 30 GGEDMM COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(I)c1 ZINC000589851430 567195917 /nfs/dbraw/zinc/19/59/17/567195917.db2.gz VJFWINMSVQILDU-UHFFFAOYSA-N -1 1 394.168 3.129 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000525367543 567245633 /nfs/dbraw/zinc/24/56/33/567245633.db2.gz KTWMVYQPXQYTKM-UHFFFAOYSA-N -1 1 377.853 3.023 20 30 GGEDMM C=CCOCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000591104520 567264658 /nfs/dbraw/zinc/26/46/58/567264658.db2.gz XVBOILKTWIEJIX-UHFFFAOYSA-N -1 1 380.853 3.282 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(I)c1 ZINC000475802558 567278944 /nfs/dbraw/zinc/27/89/44/567278944.db2.gz AWIAAFPDZJAJBX-UHFFFAOYSA-N -1 1 398.225 3.158 20 30 GGEDMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1c(F)cccc1OC(F)(F)F ZINC000685914238 567310753 /nfs/dbraw/zinc/31/07/53/567310753.db2.gz LAUFVIGSNNFQDM-UHFFFAOYSA-N -1 1 393.240 3.267 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)s1 ZINC000435475990 567370679 /nfs/dbraw/zinc/37/06/79/567370679.db2.gz ZXXUTLYBUZHPQM-UHFFFAOYSA-N -1 1 381.866 3.201 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N(C)C)c2)ccc1C#N ZINC000435761976 567388908 /nfs/dbraw/zinc/38/89/08/567388908.db2.gz RDFUHLCYQDGLOF-UHFFFAOYSA-N -1 1 377.853 3.023 20 30 GGEDMM C[C@H](NC(=O)c1cc(I)ccc1[O-])c1ccc(C#N)cc1 ZINC000436725845 567446050 /nfs/dbraw/zinc/44/60/50/567446050.db2.gz VKBSNOLIYBRHQN-JTQLQIEISA-N -1 1 392.196 3.359 20 30 GGEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1Cl ZINC000619462134 567455464 /nfs/dbraw/zinc/45/54/64/567455464.db2.gz GTJLLMSEBULGAH-UHFFFAOYSA-N -1 1 378.837 3.384 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Br ZINC000619462775 567456071 /nfs/dbraw/zinc/45/60/71/567456071.db2.gz LZKCRYQQIKFKKP-UHFFFAOYSA-N -1 1 381.251 3.325 20 30 GGEDMM CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000436845661 567456500 /nfs/dbraw/zinc/45/65/00/567456500.db2.gz DZNJVRHIZKZFRL-UHFFFAOYSA-N -1 1 389.249 3.315 20 30 GGEDMM CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000436925466 567467258 /nfs/dbraw/zinc/46/72/58/567467258.db2.gz BQTHXPYSFBRPSW-UHFFFAOYSA-N -1 1 389.249 3.315 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1Br ZINC000478673663 567474654 /nfs/dbraw/zinc/47/46/54/567474654.db2.gz JKWHSGBUTLQVEY-UHFFFAOYSA-N -1 1 379.235 3.056 20 30 GGEDMM O=S(=O)([N-]C1CC(C(F)(F)F)C1)c1c(F)cccc1OC(F)(F)F ZINC000570302896 567474638 /nfs/dbraw/zinc/47/46/38/567474638.db2.gz WQGONNZACUEXSF-UHFFFAOYSA-N -1 1 381.269 3.344 20 30 GGEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000478694154 567475758 /nfs/dbraw/zinc/47/57/58/567475758.db2.gz BHGHCLLNKCOBCJ-UHFFFAOYSA-N -1 1 379.235 3.056 20 30 GGEDMM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000570386290 567480821 /nfs/dbraw/zinc/48/08/21/567480821.db2.gz LXTYLCRLEFPJDG-QMTHXVAHSA-N -1 1 375.263 3.339 20 30 GGEDMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1ccc(C(F)(F)F)c(F)c1 ZINC000551174079 567484136 /nfs/dbraw/zinc/48/41/36/567484136.db2.gz IHKUNMOWCWXMIK-UHFFFAOYSA-N -1 1 377.241 3.387 20 30 GGEDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(Br)c(C#N)c1)C1CCCC1 ZINC000594694901 567500055 /nfs/dbraw/zinc/50/00/55/567500055.db2.gz CQCAXLUFUUBZJN-OAHLLOKOSA-N -1 1 387.299 3.268 20 30 GGEDMM CCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1Cl ZINC000551548911 567515737 /nfs/dbraw/zinc/51/57/37/567515737.db2.gz ABAALEBSVGYNIP-UHFFFAOYSA-N -1 1 386.807 3.367 20 30 GGEDMM C=CCCSCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000594818094 567516809 /nfs/dbraw/zinc/51/68/09/567516809.db2.gz SWHVAJFQRUQRJI-UHFFFAOYSA-N -1 1 398.333 3.368 20 30 GGEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000479248728 567519014 /nfs/dbraw/zinc/51/90/14/567519014.db2.gz GGXLUHKXBMRFDZ-UHFFFAOYSA-N -1 1 380.809 3.028 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc(Cl)c1F ZINC000480222627 567589843 /nfs/dbraw/zinc/58/98/43/567589843.db2.gz WIEUIGKGRBNQIG-UHFFFAOYSA-N -1 1 382.800 3.247 20 30 GGEDMM N#Cc1nc(N[C@H]2CC[C@H](N=c3[n-]c(C#N)c(Cl)s3)CC2)sc1Cl ZINC000596173540 567613473 /nfs/dbraw/zinc/61/34/73/567613473.db2.gz WVTKHAYHRJAWEW-ZKCHVHJHSA-N -1 1 399.332 3.329 20 30 GGEDMM C[C@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000530642682 567616684 /nfs/dbraw/zinc/61/66/84/567616684.db2.gz QAJSCZMLOUIAKL-GFCCVEGCSA-N -1 1 377.853 3.030 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@@H]2COc3cc(F)c(Br)cc32)cc1[O-] ZINC000506666622 567637313 /nfs/dbraw/zinc/63/73/13/567637313.db2.gz VFXWLCNIHURMNU-CYBMUJFWSA-N -1 1 377.169 3.029 20 30 GGEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000506847636 567646080 /nfs/dbraw/zinc/64/60/80/567646080.db2.gz RMSJPXVJYKPCST-UHFFFAOYSA-N -1 1 391.276 3.285 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]CCOc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000553431421 567654037 /nfs/dbraw/zinc/65/40/37/567654037.db2.gz XKTQPNVYAALPHT-UHFFFAOYSA-N -1 1 395.651 3.469 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(Br)c3)CCC2)o1 ZINC000553776842 567682981 /nfs/dbraw/zinc/68/29/81/567682981.db2.gz YJUHGRFOOADGOF-UHFFFAOYSA-N -1 1 395.278 3.314 20 30 GGEDMM Cc1cc(I)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000507560924 567686504 /nfs/dbraw/zinc/68/65/04/567686504.db2.gz AEKRNTWLJLGFOU-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(SCCC(=O)[O-])c1 ZINC000460444258 567689441 /nfs/dbraw/zinc/68/94/41/567689441.db2.gz DAKNMNFHRLJUQU-UHFFFAOYSA-N -1 1 376.459 3.234 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)cc1Br ZINC000573560649 567722266 /nfs/dbraw/zinc/72/22/66/567722266.db2.gz LPFRLIVOFDPQRL-ZJUUUORDSA-N -1 1 379.226 3.019 20 30 GGEDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(Br)c3)ccc2O1 ZINC000508099774 567729126 /nfs/dbraw/zinc/72/91/26/567729126.db2.gz ZDNFCBLVZDYJOG-JTQLQIEISA-N -1 1 393.262 3.445 20 30 GGEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1ccc(Br)cc1 ZINC000443285138 567745782 /nfs/dbraw/zinc/74/57/82/567745782.db2.gz NUOFHGZCMLIZCM-NSHDSACASA-N -1 1 375.222 3.224 20 30 GGEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1ccc(Br)cc1 ZINC000443285132 567746033 /nfs/dbraw/zinc/74/60/33/567746033.db2.gz NUOFHGZCMLIZCM-LLVKDONJSA-N -1 1 375.222 3.224 20 30 GGEDMM N#C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCCCC1 ZINC000533690888 567782500 /nfs/dbraw/zinc/78/25/00/567782500.db2.gz WZLSDGMQNVPOSE-ZDUSSCGKSA-N -1 1 375.263 3.339 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cn1 ZINC000443972104 567783618 /nfs/dbraw/zinc/78/36/18/567783618.db2.gz WODJIPXUCNZJLY-ZDUSSCGKSA-N -1 1 393.749 3.328 20 30 GGEDMM CCCc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1 ZINC000011443611 571046086 /nfs/dbraw/zinc/04/60/86/571046086.db2.gz VCGNQKUFDTYUIY-UHFFFAOYSA-N -1 1 390.896 3.415 20 30 GGEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737727440 598997761 /nfs/dbraw/zinc/99/77/61/598997761.db2.gz MLYVPCICXLWDLC-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737727440 598997763 /nfs/dbraw/zinc/99/77/63/598997763.db2.gz MLYVPCICXLWDLC-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)c1 ZINC000737731035 599005322 /nfs/dbraw/zinc/00/53/22/599005322.db2.gz WEXLEBGLQIKECC-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)c1 ZINC000737731035 599005324 /nfs/dbraw/zinc/00/53/24/599005324.db2.gz WEXLEBGLQIKECC-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(OCC(F)F)cc2)o1 ZINC000735655629 599148796 /nfs/dbraw/zinc/14/87/96/599148796.db2.gz BQYRZMRJTISKID-UHFFFAOYSA-N -1 1 391.382 3.242 20 30 GGEDMM C#CCN(CC)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735375308 599193342 /nfs/dbraw/zinc/19/33/42/599193342.db2.gz XUIBIVCBKMZJEY-UHFFFAOYSA-N -1 1 381.823 3.408 20 30 GGEDMM C[C@@H](C#N)CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735503065 599200623 /nfs/dbraw/zinc/20/06/23/599200623.db2.gz IRXMPRZVFQAWSJ-NSHDSACASA-N -1 1 382.811 3.202 20 30 GGEDMM CC(C)(C#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000735571787 599201019 /nfs/dbraw/zinc/20/10/19/599201019.db2.gz JPDLJVNALXCLKU-UHFFFAOYSA-N -1 1 382.811 3.344 20 30 GGEDMM C=CCOc1ccc(OC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)cc1 ZINC000819759149 599201242 /nfs/dbraw/zinc/20/12/42/599201242.db2.gz PAXLEYWMZKNCIO-UHFFFAOYSA-N -1 1 391.387 3.343 20 30 GGEDMM C=CCOc1ccc(OC(=O)c2c(C)oc(-n3cccc3)c2-c2nn[n-]n2)cc1 ZINC000819759149 599201244 /nfs/dbraw/zinc/20/12/44/599201244.db2.gz PAXLEYWMZKNCIO-UHFFFAOYSA-N -1 1 391.387 3.343 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c(C(F)(F)F)c1 ZINC000819106287 597315531 /nfs/dbraw/zinc/31/55/31/597315531.db2.gz KMXXSAIMLGOYNW-UHFFFAOYSA-N -1 1 384.335 3.005 20 30 GGEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000819847608 597603432 /nfs/dbraw/zinc/60/34/32/597603432.db2.gz NOUOUTGNCGHSHW-HXUWFJFHSA-N -1 1 375.388 3.082 20 30 GGEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000819847608 597603433 /nfs/dbraw/zinc/60/34/33/597603433.db2.gz NOUOUTGNCGHSHW-HXUWFJFHSA-N -1 1 375.388 3.082 20 30 GGEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1 ZINC000819847605 597603440 /nfs/dbraw/zinc/60/34/40/597603440.db2.gz NOUOUTGNCGHSHW-FQEVSTJZSA-N -1 1 375.388 3.082 20 30 GGEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000819847605 597603441 /nfs/dbraw/zinc/60/34/41/597603441.db2.gz NOUOUTGNCGHSHW-FQEVSTJZSA-N -1 1 375.388 3.082 20 30 GGEDMM CCC[C@@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736415622 598401916 /nfs/dbraw/zinc/40/19/16/598401916.db2.gz HMJISMCLHUYACA-ZDUSSCGKSA-N -1 1 380.383 3.220 20 30 GGEDMM CCC[C@@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736415622 598401917 /nfs/dbraw/zinc/40/19/17/598401917.db2.gz HMJISMCLHUYACA-ZDUSSCGKSA-N -1 1 380.383 3.220 20 30 GGEDMM COc1ccc(OC(F)F)c(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c1 ZINC000737109092 598788992 /nfs/dbraw/zinc/78/89/92/598788992.db2.gz OTDSRHHZYZYFRW-UHFFFAOYSA-N -1 1 393.354 3.034 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCCC#Cc1ccccc1 ZINC000822541260 599625683 /nfs/dbraw/zinc/62/56/83/599625683.db2.gz MHXNEGNQWUYPRY-UHFFFAOYSA-N -1 1 387.399 3.157 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)OCCC#Cc1ccccc1 ZINC000822541260 599625684 /nfs/dbraw/zinc/62/56/84/599625684.db2.gz MHXNEGNQWUYPRY-UHFFFAOYSA-N -1 1 387.399 3.157 20 30 GGEDMM O=C([O-])CSCC/N=C/c1cc(Br)cc(Br)c1O ZINC000739858371 599884306 /nfs/dbraw/zinc/88/43/06/599884306.db2.gz WOSUZJCGHJWRTO-LHHJGKSTSA-N -1 1 397.088 3.154 20 30 GGEDMM C#CCOc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])cc1 ZINC000736090265 600052554 /nfs/dbraw/zinc/05/25/54/600052554.db2.gz XZPUKICTAQCLBD-UHFFFAOYSA-N -1 1 387.438 3.412 20 30 GGEDMM CCOc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)ccc1OCC(=O)[O-] ZINC000737179753 600056589 /nfs/dbraw/zinc/05/65/89/600056589.db2.gz SEQHECDIFBCHMT-CYBMUJFWSA-N -1 1 380.356 3.180 20 30 GGEDMM CCOc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1OCC(=O)[O-] ZINC000737179753 600056590 /nfs/dbraw/zinc/05/65/90/600056590.db2.gz SEQHECDIFBCHMT-CYBMUJFWSA-N -1 1 380.356 3.180 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736545960 600148756 /nfs/dbraw/zinc/14/87/56/600148756.db2.gz UFJIITWMZBPLNO-CQSZACIVSA-N -1 1 375.494 3.396 20 30 GGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2sc(Cl)nc2Cl)o1 ZINC000824141159 607887418 /nfs/dbraw/zinc/88/74/18/607887418.db2.gz DJMKWWJQNKSEJR-UHFFFAOYSA-N -1 1 387.256 3.362 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000154308262 600394822 /nfs/dbraw/zinc/39/48/22/600394822.db2.gz PKXMJTGDFHPATK-UHFFFAOYSA-N -1 1 388.298 3.215 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000609986718 600394864 /nfs/dbraw/zinc/39/48/64/600394864.db2.gz WWABLTPEGNKPDI-UHFFFAOYSA-N -1 1 388.298 3.215 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000738425515 600395491 /nfs/dbraw/zinc/39/54/91/600395491.db2.gz MWOCBYJISWLZSM-UHFFFAOYSA-N -1 1 385.323 3.468 20 30 GGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000739105819 600566530 /nfs/dbraw/zinc/56/65/30/600566530.db2.gz ODPBBQVHZVTLJU-LJQANCHMSA-N -1 1 397.862 3.185 20 30 GGEDMM C[C@H](c1ccc(F)cc1F)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736716852 600568376 /nfs/dbraw/zinc/56/83/76/600568376.db2.gz IYIOKKHDQXZKNT-VLIAUNLRSA-N -1 1 385.414 3.341 20 30 GGEDMM COc1cccc([C@H](C)N2CCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738089294 600568935 /nfs/dbraw/zinc/56/89/35/600568935.db2.gz CYVJHOVYMFVNAJ-KKSFZXQISA-N -1 1 379.460 3.071 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCCC[C@@H]2CC(=O)[O-])c1C#N ZINC000832849939 600820095 /nfs/dbraw/zinc/82/00/95/600820095.db2.gz TUXSDUJXICBHRX-GOSISDBHSA-N -1 1 394.475 3.234 20 30 GGEDMM N#Cc1ccc([C@H](OC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)C(=O)[O-])cc1 ZINC000833071198 601189234 /nfs/dbraw/zinc/18/92/34/601189234.db2.gz CZWQTDCHLWCBMB-KRWDZBQOSA-N -1 1 388.383 3.203 20 30 GGEDMM N#Cc1cccc([C@@H](NCc2cccc(NC(=O)c3ccncc3)c2)C(=O)[O-])c1 ZINC000833074892 601302476 /nfs/dbraw/zinc/30/24/76/601302476.db2.gz GDGRYKUBRBZEHC-HXUWFJFHSA-N -1 1 386.411 3.121 20 30 GGEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000833074178 601312896 /nfs/dbraw/zinc/31/28/96/601312896.db2.gz RAGBCQAFYPHZQI-LJQANCHMSA-N -1 1 397.862 3.185 20 30 GGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849970 601513747 /nfs/dbraw/zinc/51/37/47/601513747.db2.gz VFRUVHFSYYKARX-FZKQIMNGSA-N -1 1 386.496 3.073 20 30 GGEDMM CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1OC(F)F ZINC000830104879 601643022 /nfs/dbraw/zinc/64/30/22/601643022.db2.gz XROJCPAWBWOBJS-MRXNPFEDSA-N -1 1 376.359 3.474 20 30 GGEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@H]2CCCO2)c1 ZINC000832933415 601850749 /nfs/dbraw/zinc/85/07/49/601850749.db2.gz AYSCICXQLSENOJ-TZIWHRDSSA-N -1 1 380.444 3.340 20 30 GGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@](C)(C(=O)[O-])C2)c1C#N ZINC000832849657 601915262 /nfs/dbraw/zinc/91/52/62/601915262.db2.gz OBYMRPOOFUUTEG-NRFANRHFSA-N -1 1 386.496 3.217 20 30 GGEDMM C=CCOc1c(Br)cc(CN2CC[C@@H](C(=O)[O-])C2)cc1OCC ZINC000263387658 604543359 /nfs/dbraw/zinc/54/33/59/604543359.db2.gz DJOQOWJMBGXPBK-CYBMUJFWSA-N -1 1 384.270 3.319 20 30 GGEDMM C=CCOc1c(Br)cc(CN2C[C@H](C(=O)[O-])[C@H](C)C2)cc1OC ZINC000833377531 604668225 /nfs/dbraw/zinc/66/82/25/604668225.db2.gz ADTMRWXGVXWPAQ-YPMHNXCESA-N -1 1 384.270 3.175 20 30 GGEDMM C[C@H](CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1)C(=O)[O-] ZINC000827450387 604746469 /nfs/dbraw/zinc/74/64/69/604746469.db2.gz WPGRQQBFMMKTSP-GFCCVEGCSA-N -1 1 375.494 3.012 20 30 GGEDMM N#Cc1cccc(-c2nnc(CN(CCCC(=O)[O-])Cc3ccccc3)o2)c1 ZINC000833073570 604786649 /nfs/dbraw/zinc/78/66/49/604786649.db2.gz DTQZKWJMTSWBLE-UHFFFAOYSA-N -1 1 376.416 3.475 20 30 GGEDMM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833411072 604950833 /nfs/dbraw/zinc/95/08/33/604950833.db2.gz LGZMBHOBGQWNKI-STQMWFEESA-N -1 1 389.521 3.258 20 30 GGEDMM CC(C)C[C@H](NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833478694 605224994 /nfs/dbraw/zinc/22/49/94/605224994.db2.gz UDJFVJAIFZZDIN-KKSFZXQISA-N -1 1 393.487 3.491 20 30 GGEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833402488 605598295 /nfs/dbraw/zinc/59/82/95/605598295.db2.gz NULVNXKLOOQXTP-JTQLQIEISA-N -1 1 380.809 3.130 20 30 GGEDMM Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)S2)c(C)c1 ZINC000822254541 606387687 /nfs/dbraw/zinc/38/76/87/606387687.db2.gz MQNVSAKDMFPRMK-RIYZIHGNSA-N -1 1 382.474 3.437 20 30 GGEDMM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820138619 606390261 /nfs/dbraw/zinc/39/02/61/606390261.db2.gz ZMVFGWSVECAQLO-VQHVLOKHSA-N -1 1 382.449 3.354 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)nnn1-c1ccc(C)cc1 ZINC000822224804 606390983 /nfs/dbraw/zinc/39/09/83/606390983.db2.gz ARVYGXQAJWFIIM-CLFYSBASSA-N -1 1 377.433 3.022 20 30 GGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819899572 606641398 /nfs/dbraw/zinc/64/13/98/606641398.db2.gz XFRYAASYRPCKRX-MRXNPFEDSA-N -1 1 394.410 3.466 20 30 GGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819899572 606641399 /nfs/dbraw/zinc/64/13/99/606641399.db2.gz XFRYAASYRPCKRX-MRXNPFEDSA-N -1 1 394.410 3.466 20 30 GGEDMM CSc1cc(Br)ccc1CN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000821979524 606702397 /nfs/dbraw/zinc/70/23/97/606702397.db2.gz SOIJYWDVZDOXGV-UHFFFAOYSA-N -1 1 394.258 3.094 20 30 GGEDMM O=C1c2ccc(Br)cc2OC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823503363 606763936 /nfs/dbraw/zinc/76/39/36/606763936.db2.gz DWQJGXMIZFIASX-IZZDOVSWSA-N -1 1 375.207 3.307 20 30 GGEDMM Cc1nn(C(C)(C)C)c(C)c1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000826333122 607886947 /nfs/dbraw/zinc/88/69/47/607886947.db2.gz VEDXWZXLHMMKOL-UHFFFAOYSA-N -1 1 385.476 3.068 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ncc(Br)s2)o1 ZINC000823963135 607930758 /nfs/dbraw/zinc/93/07/58/607930758.db2.gz WDKDQBGHEIKAMH-UHFFFAOYSA-N -1 1 397.262 3.033 20 30 GGEDMM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000825603729 608091874 /nfs/dbraw/zinc/09/18/74/608091874.db2.gz ADSTXKRSOCTVNN-AATRIKPKSA-N -1 1 386.433 3.240 20 30 GGEDMM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1OC ZINC000825603729 608091875 /nfs/dbraw/zinc/09/18/75/608091875.db2.gz ADSTXKRSOCTVNN-AATRIKPKSA-N -1 1 386.433 3.240 20 30 GGEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1OC(F)F ZINC000826178578 608092719 /nfs/dbraw/zinc/09/27/19/608092719.db2.gz DFARZVWCZLTLLR-DUXPYHPUSA-N -1 1 378.360 3.434 20 30 GGEDMM COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1OC(F)F ZINC000826178578 608092720 /nfs/dbraw/zinc/09/27/20/608092720.db2.gz DFARZVWCZLTLLR-DUXPYHPUSA-N -1 1 378.360 3.434 20 30 GGEDMM CC(C)(C)c1cc(NC(=O)c2ccccc2OCC#N)c(-c2nnn[n-]2)s1 ZINC000824130506 608349054 /nfs/dbraw/zinc/34/90/54/608349054.db2.gz LLLVMEUBUMTOHF-UHFFFAOYSA-N -1 1 382.449 3.380 20 30 GGEDMM CC(C)(C)c1cc(NC(=O)c2ccccc2OCC#N)c(-c2nn[n-]n2)s1 ZINC000824130506 608349055 /nfs/dbraw/zinc/34/90/55/608349055.db2.gz LLLVMEUBUMTOHF-UHFFFAOYSA-N -1 1 382.449 3.380 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(-c2ccc(C#N)cc2)n1 ZINC000826359753 609309681 /nfs/dbraw/zinc/30/96/81/609309681.db2.gz PNZPUXJTTDSCJU-SREVYHEPSA-N -1 1 387.428 3.096 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(-c2ccc(C#N)cc2)n1 ZINC000826359753 609309682 /nfs/dbraw/zinc/30/96/82/609309682.db2.gz PNZPUXJTTDSCJU-SREVYHEPSA-N -1 1 387.428 3.096 20 30 GGEDMM C=CCn1c2ccccc2nc1SCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000011650898 1399001489 /nfs/dbraw/zinc/00/14/89/1399001489.db2.gz DLOZKBJUIPBANY-UHFFFAOYSA-N -1 1 381.457 3.280 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000055586211 1407013511 /nfs/dbraw/zinc/01/35/11/1407013511.db2.gz OLTQNHCOQPXLMD-UHFFFAOYSA-N -1 1 397.456 3.422 20 30 GGEDMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1)C(C)=O ZINC000055587321 1407014296 /nfs/dbraw/zinc/01/42/96/1407014296.db2.gz PPFXREGWNRVWNV-UHFFFAOYSA-N -1 1 391.880 3.381 20 30 GGEDMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000022748075 1399497428 /nfs/dbraw/zinc/49/74/28/1399497428.db2.gz PFFHMHLSZBLUOI-UHFFFAOYSA-N -1 1 379.445 3.321 20 30 GGEDMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(C#Cc4cccs4)c3)ccc2N1 ZINC000022959522 1399519750 /nfs/dbraw/zinc/51/97/50/1399519750.db2.gz RMEMWPSHYAVDDM-UHFFFAOYSA-N -1 1 394.477 3.443 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)cc1 ZINC000055650919 1407042791 /nfs/dbraw/zinc/04/27/91/1407042791.db2.gz JPDHMYTWADCPQL-UHFFFAOYSA-N -1 1 383.473 3.375 20 30 GGEDMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000055651423 1407042855 /nfs/dbraw/zinc/04/28/55/1407042855.db2.gz AVZYAHIOXKPFNU-HNNXBMFYSA-N -1 1 383.473 3.374 20 30 GGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000026547933 1399899037 /nfs/dbraw/zinc/89/90/37/1399899037.db2.gz KYUZGELAJLOSHO-UHFFFAOYSA-N -1 1 383.473 3.415 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)cc1 ZINC000027802141 1400093971 /nfs/dbraw/zinc/09/39/71/1400093971.db2.gz AVOBITCNCBTDTO-UHFFFAOYSA-N -1 1 396.428 3.274 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC000027802139 1400094458 /nfs/dbraw/zinc/09/44/58/1400094458.db2.gz VMUDHCZBZSPWCS-UHFFFAOYSA-N -1 1 396.428 3.274 20 30 GGEDMM N#Cc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000045215919 1404076487 /nfs/dbraw/zinc/07/64/87/1404076487.db2.gz COCFUVJRVFLEHI-UHFFFAOYSA-N -1 1 391.452 3.289 20 30 GGEDMM N#Cc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c1 ZINC000045215731 1404076647 /nfs/dbraw/zinc/07/66/47/1404076647.db2.gz WSQPGPWEMAMXAJ-UHFFFAOYSA-N -1 1 391.452 3.289 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C[C@@H](C)C#N)cc2)cc1C ZINC000045851130 1404223789 /nfs/dbraw/zinc/22/37/89/1404223789.db2.gz RNWAQRMUHIXHEK-AWEZNQCLSA-N -1 1 385.489 3.336 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C[C@@H](C)C#N)cc2)c1C ZINC000045851059 1404223851 /nfs/dbraw/zinc/22/38/51/1404223851.db2.gz OALAAFQRZWDWCQ-AWEZNQCLSA-N -1 1 385.489 3.336 20 30 GGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C[C@@H](C)C#N)cc2)c1 ZINC000045851368 1404224824 /nfs/dbraw/zinc/22/48/24/1404224824.db2.gz GMIGONMLQWQZLW-HNNXBMFYSA-N -1 1 385.489 3.336 20 30 GGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C[C@H](C)C#N)cc2)c1 ZINC000045851370 1404224934 /nfs/dbraw/zinc/22/49/34/1404224934.db2.gz GMIGONMLQWQZLW-OAHLLOKOSA-N -1 1 385.489 3.336 20 30 GGEDMM N#C[C@@H](C(=O)Cc1ccc(F)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707073 1404559409 /nfs/dbraw/zinc/55/94/09/1404559409.db2.gz MQHRRVZWDLZKPT-AWEZNQCLSA-N -1 1 381.432 3.421 20 30 GGEDMM COc1cccc(CC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000046707131 1404559442 /nfs/dbraw/zinc/55/94/42/1404559442.db2.gz FUPUWRZFDFTXGZ-HNNXBMFYSA-N -1 1 393.468 3.291 20 30 GGEDMM C=C(C)CNC(=S)N[N-]C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000047367912 1404818178 /nfs/dbraw/zinc/81/81/78/1404818178.db2.gz HQRTYPNDGOPULK-UHFFFAOYSA-N -1 1 385.518 3.080 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000047533878 1404860119 /nfs/dbraw/zinc/86/01/19/1404860119.db2.gz ITZKVCCBZWHHDO-OAHLLOKOSA-N -1 1 385.489 3.418 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000047533829 1404860152 /nfs/dbraw/zinc/86/01/52/1404860152.db2.gz HYKALPHJKMUUKC-AWEZNQCLSA-N -1 1 389.452 3.248 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)cc2OC(F)F)c(=O)o1 ZINC000048520991 1405214778 /nfs/dbraw/zinc/21/47/78/1405214778.db2.gz XDYUVESKBCVLIM-MFBWXBCUSA-N -1 1 388.269 3.118 20 30 GGEDMM C#Cc1cccc(NC(=S)NCCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000735391949 1426636445 /nfs/dbraw/zinc/63/64/45/1426636445.db2.gz YSBCVLUFHRRFJY-UHFFFAOYSA-N -1 1 394.529 3.068 20 30 GGEDMM Cc1nc(C)c(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000048816649 1405296443 /nfs/dbraw/zinc/29/64/43/1405296443.db2.gz XPNXBYYUDJQVTD-NSHDSACASA-N -1 1 384.486 3.427 20 30 GGEDMM N#C[C@@H](C(=O)c1noc2c1CCCC2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048818078 1405297524 /nfs/dbraw/zinc/29/75/24/1405297524.db2.gz PWUDPHTVPLWJFF-LBPRGKRZSA-N -1 1 394.456 3.220 20 30 GGEDMM N#CC(=C([O-])c1ccc(OC(F)F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392333 1405375571 /nfs/dbraw/zinc/37/55/71/1405375571.db2.gz IQPAVFITOBMRDY-CQSZACIVSA-N -1 1 396.357 3.289 20 30 GGEDMM CC(C)(C)OC(=O)N[C@@H]1CCCCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824108682 1426922766 /nfs/dbraw/zinc/92/27/66/1426922766.db2.gz INVWDRWDKWTPBV-OAHLLOKOSA-N -1 1 385.472 3.492 20 30 GGEDMM COc1ccc(C#N)cc1NC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000050092106 1405479840 /nfs/dbraw/zinc/47/98/40/1405479840.db2.gz YIMWDVZKPUXONH-UHFFFAOYSA-N -1 1 379.416 3.399 20 30 GGEDMM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3F)CCC2)ccc1-c1nnn[n-]1 ZINC000826384285 1427530582 /nfs/dbraw/zinc/53/05/82/1427530582.db2.gz OTMKJILNGSXLCF-UHFFFAOYSA-N -1 1 380.358 3.077 20 30 GGEDMM C=CCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914319 1427690585 /nfs/dbraw/zinc/69/05/85/1427690585.db2.gz FMMQMSYEDDUDCT-UHFFFAOYSA-N -1 1 389.438 3.380 20 30 GGEDMM Brc1ccc(CNN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000819688302 1427849842 /nfs/dbraw/zinc/84/98/42/1427849842.db2.gz FWZCKLPMKFWZEF-UHFFFAOYSA-N -1 1 396.252 3.234 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)cc1 ZINC000057124005 1407528014 /nfs/dbraw/zinc/52/80/14/1407528014.db2.gz CGCDZWQLTUNSRA-UHFFFAOYSA-N -1 1 391.452 3.289 20 30 GGEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1cccc(Cl)c1Cl ZINC000822801863 1428278142 /nfs/dbraw/zinc/27/81/42/1428278142.db2.gz PSURBNPRFKWPNL-VIFPVBQESA-N -1 1 379.232 3.230 20 30 GGEDMM [O-]C(=Cc1csc(-c2cccc(Br)c2)n1)NC1=NCCS1 ZINC000060741019 1408027655 /nfs/dbraw/zinc/02/76/55/1408027655.db2.gz ZUAPZKTZBPJEEP-UHFFFAOYSA-N -1 1 382.308 3.334 20 30 GGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC(C#N)CC3)c2)c1 ZINC000061585404 1408151776 /nfs/dbraw/zinc/15/17/76/1408151776.db2.gz CIMHWJJNFWEQDA-UHFFFAOYSA-N -1 1 397.500 3.480 20 30 GGEDMM CN(C)c1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825875280 1428295230 /nfs/dbraw/zinc/29/52/30/1428295230.db2.gz IKBFLFJVMSIYJJ-JLHYYAGUSA-N -1 1 399.458 3.229 20 30 GGEDMM CCc1ncc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000065042233 1408638242 /nfs/dbraw/zinc/63/82/42/1408638242.db2.gz NPVSIFMXBVSIEN-JTQLQIEISA-N -1 1 384.486 3.372 20 30 GGEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(CC#N)C3CC3)cc2)cc1 ZINC000065895393 1408749501 /nfs/dbraw/zinc/74/95/01/1408749501.db2.gz VZBUGFYOILPVGI-UHFFFAOYSA-N -1 1 399.472 3.014 20 30 GGEDMM CCn1c(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)n[n-]c1=S ZINC000066636024 1408874459 /nfs/dbraw/zinc/87/44/59/1408874459.db2.gz NRDABVUDPHJURV-UHFFFAOYSA-N -1 1 393.472 3.341 20 30 GGEDMM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2)c1 ZINC000066813932 1408920041 /nfs/dbraw/zinc/92/00/41/1408920041.db2.gz PJHBFHZGTPOMHU-UHFFFAOYSA-N -1 1 393.424 3.250 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000066931923 1408956153 /nfs/dbraw/zinc/95/61/53/1408956153.db2.gz DXYKBZAPVZHPAN-LBPRGKRZSA-N -1 1 395.488 3.215 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3(C#N)CCC3)c2)cc1 ZINC000067684090 1409206514 /nfs/dbraw/zinc/20/65/14/1409206514.db2.gz QHFPIHLEWJYNQE-UHFFFAOYSA-N -1 1 399.472 3.014 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000067894751 1409251091 /nfs/dbraw/zinc/25/10/91/1409251091.db2.gz GGXXBMNBDQMLCL-CQSZACIVSA-N -1 1 383.429 3.158 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@@H](C)C#N)c2)c1 ZINC000068082038 1409294873 /nfs/dbraw/zinc/29/48/73/1409294873.db2.gz KETHEEXQNNCLJN-HNNXBMFYSA-N -1 1 385.489 3.336 20 30 GGEDMM CCCOc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000821134237 1428393660 /nfs/dbraw/zinc/39/36/60/1428393660.db2.gz PQHJQKVBPJMZTA-UHFFFAOYSA-N -1 1 376.420 3.098 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)cc2)cc1 ZINC000068226761 1409335014 /nfs/dbraw/zinc/33/50/14/1409335014.db2.gz VDVUTUQNWFYAOZ-UHFFFAOYSA-N -1 1 393.424 3.250 20 30 GGEDMM N#C[C@@H](C(=O)COCc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000069833462 1409711487 /nfs/dbraw/zinc/71/14/87/1409711487.db2.gz MUPZOPHBCVGSEH-HNNXBMFYSA-N -1 1 393.468 3.256 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000072011126 1409837046 /nfs/dbraw/zinc/83/70/46/1409837046.db2.gz BZGBFCJONNKASY-AWEZNQCLSA-N -1 1 389.452 3.248 20 30 GGEDMM C[C@@H](C#N)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000078780445 1409936499 /nfs/dbraw/zinc/93/64/99/1409936499.db2.gz INBAFDLFOQFLJO-NSHDSACASA-N -1 1 395.843 3.169 20 30 GGEDMM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(OCC(F)(F)F)cc1 ZINC000822741577 1428448166 /nfs/dbraw/zinc/44/81/66/1428448166.db2.gz ZKVAMSVUXFFWRQ-UHFFFAOYSA-N -1 1 380.305 3.393 20 30 GGEDMM Cn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2Cc2ccccc2)c2ccccc21 ZINC000091888529 1410089756 /nfs/dbraw/zinc/08/97/56/1410089756.db2.gz ORFMJIBEDCKGES-IBGZPJMESA-N -1 1 397.500 3.488 20 30 GGEDMM CC[C@H](C#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000102350921 1410607024 /nfs/dbraw/zinc/60/70/24/1410607024.db2.gz NVWJZFULVKYGNS-OAHLLOKOSA-N -1 1 391.880 3.481 20 30 GGEDMM Cc1nn(Cc2ccccc2Cl)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000102500204 1410640366 /nfs/dbraw/zinc/64/03/66/1410640366.db2.gz NSDQUQDQEXPWSO-NDDJGDGRSA-N -1 1 398.846 3.430 20 30 GGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)CC#N)c2)c1 ZINC000103442985 1410856972 /nfs/dbraw/zinc/85/69/72/1410856972.db2.gz RQZDJNQUUFTRRL-INIZCTEOSA-N -1 1 385.489 3.478 20 30 GGEDMM C[C@@H](CC#N)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000103443234 1410856998 /nfs/dbraw/zinc/85/69/98/1410856998.db2.gz IOCQHJRJSWFOIS-ZDUSSCGKSA-N -1 1 375.425 3.001 20 30 GGEDMM C[C@H](CC#N)N(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000103443219 1410857075 /nfs/dbraw/zinc/85/70/75/1410857075.db2.gz XXWWXIAHHMMACP-GFCCVEGCSA-N -1 1 393.415 3.140 20 30 GGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)CC#N)cc2)c1 ZINC000103443313 1410857123 /nfs/dbraw/zinc/85/71/23/1410857123.db2.gz HJVALDHXZKZBQD-INIZCTEOSA-N -1 1 385.489 3.478 20 30 GGEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000103443315 1410857373 /nfs/dbraw/zinc/85/73/73/1410857373.db2.gz UEJIPEHEUVBZML-LBPRGKRZSA-N -1 1 393.415 3.140 20 30 GGEDMM C[C@H](CC#N)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000103443316 1410857426 /nfs/dbraw/zinc/85/74/26/1410857426.db2.gz UEJIPEHEUVBZML-GFCCVEGCSA-N -1 1 393.415 3.140 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)nc1 ZINC000107552042 1411387045 /nfs/dbraw/zinc/38/70/45/1411387045.db2.gz HAVACQGWZUQOMA-UHFFFAOYSA-N -1 1 396.403 3.145 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc1 ZINC000107554976 1411387580 /nfs/dbraw/zinc/38/75/80/1411387580.db2.gz KISBENIHVZLEPE-UHFFFAOYSA-N -1 1 378.413 3.006 20 30 GGEDMM Cc1oc(C(=O)[N-]c2sc(C)c(C)c2C#N)cc1S(=O)(=O)N1CCCC1 ZINC000107766418 1411407450 /nfs/dbraw/zinc/40/74/50/1411407450.db2.gz ABDOGGGEUBKVNV-UHFFFAOYSA-N -1 1 393.490 3.175 20 30 GGEDMM C=C(Br)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000109221619 1411718736 /nfs/dbraw/zinc/71/87/36/1411718736.db2.gz BRQGTJWLVSXWGC-UHFFFAOYSA-N -1 1 395.278 3.126 20 30 GGEDMM COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1OC ZINC000177126250 1428596023 /nfs/dbraw/zinc/59/60/23/1428596023.db2.gz XMMFGRQEKIRUIW-LLVKDONJSA-N -1 1 396.415 3.202 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)c1 ZINC000110094926 1411831213 /nfs/dbraw/zinc/83/12/13/1411831213.db2.gz HCHRASISPWZNRA-UHFFFAOYSA-N -1 1 396.428 3.198 20 30 GGEDMM C=CCOCCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819759400 1428610947 /nfs/dbraw/zinc/61/09/47/1428610947.db2.gz WJXGKKPBRAGTMM-UHFFFAOYSA-N -1 1 393.447 3.367 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)CC[C@H]3CCCCO3)n2)n[n-]c1=S ZINC000111558535 1411990506 /nfs/dbraw/zinc/99/05/06/1411990506.db2.gz CNKYSKWUSFVQDM-CYBMUJFWSA-N -1 1 393.538 3.462 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cn(C)nc2C2CCCCC2)o1 ZINC000824352498 1428617942 /nfs/dbraw/zinc/61/79/42/1428617942.db2.gz FYQQAMKRZPOGKD-UHFFFAOYSA-N -1 1 383.460 3.205 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1OC ZINC000111995015 1412064544 /nfs/dbraw/zinc/06/45/44/1412064544.db2.gz TXTXYVZYNIONNF-UHFFFAOYSA-N -1 1 394.452 3.299 20 30 GGEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)c1 ZINC000111995013 1412064915 /nfs/dbraw/zinc/06/49/15/1412064915.db2.gz CVXVVQMXVYGQMH-UHFFFAOYSA-N -1 1 376.437 3.485 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)O[C@@H](C)CC#N ZINC000113691414 1412333796 /nfs/dbraw/zinc/33/37/96/1412333796.db2.gz ORANYYNMKJNLLT-ZDUSSCGKSA-N -1 1 376.409 3.394 20 30 GGEDMM C[C@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000113692627 1412334041 /nfs/dbraw/zinc/33/40/41/1412334041.db2.gz AURVYSQXLLOOLX-LLVKDONJSA-N -1 1 380.372 3.225 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2=O)c1 ZINC000114673885 1412492685 /nfs/dbraw/zinc/49/26/85/1412492685.db2.gz FTXAHIYPRUAKSZ-UHFFFAOYSA-N -1 1 383.473 3.180 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000114673626 1412492812 /nfs/dbraw/zinc/49/28/12/1412492812.db2.gz UKVOYMKUZKNTMC-UHFFFAOYSA-N -1 1 389.864 3.213 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC(C)C)cc1C ZINC000114673883 1412493260 /nfs/dbraw/zinc/49/32/60/1412493260.db2.gz YCWMVVFWLAZXJE-UHFFFAOYSA-N -1 1 385.489 3.362 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC(F)F)c2)c1 ZINC000114674287 1412493522 /nfs/dbraw/zinc/49/35/22/1412493522.db2.gz IGSJUWHIVJVWKQ-UHFFFAOYSA-N -1 1 396.415 3.313 20 30 GGEDMM N#CC1(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCCCC1 ZINC000115529367 1412702756 /nfs/dbraw/zinc/70/27/56/1412702756.db2.gz RWIUEQYVEQBMNU-UHFFFAOYSA-N -1 1 383.473 3.444 20 30 GGEDMM CCC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000116488165 1412867353 /nfs/dbraw/zinc/86/73/53/1412867353.db2.gz FZUIATDBTBUIQD-INIZCTEOSA-N -1 1 389.452 3.357 20 30 GGEDMM CCC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000116664201 1412894697 /nfs/dbraw/zinc/89/46/97/1412894697.db2.gz WWONDVFOKDUVOX-CQSZACIVSA-N -1 1 393.415 3.188 20 30 GGEDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000116819511 1412932124 /nfs/dbraw/zinc/93/21/24/1412932124.db2.gz ACEBGEVNLZXXJN-UHFFFAOYSA-N -1 1 393.472 3.194 20 30 GGEDMM C=CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000116860295 1412943316 /nfs/dbraw/zinc/94/33/16/1412943316.db2.gz YXSYOTYFYIPATM-GFCCVEGCSA-N -1 1 380.416 3.460 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000735421417 1428695755 /nfs/dbraw/zinc/69/57/55/1428695755.db2.gz ZCPWFCKHZRNDAH-IBGZPJMESA-N -1 1 388.475 3.294 20 30 GGEDMM Cc1cc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1-c1cccc(C#N)c1 ZINC000826261127 1428714759 /nfs/dbraw/zinc/71/47/59/1428714759.db2.gz RWWMXHWYWSPGBA-CQSZACIVSA-N -1 1 399.414 3.151 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000119055719 1413318982 /nfs/dbraw/zinc/31/89/82/1413318982.db2.gz JXCWVFIVXPVWIK-KXBFYZLASA-N -1 1 379.460 3.158 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000119055876 1413319256 /nfs/dbraw/zinc/31/92/56/1413319256.db2.gz JXCWVFIVXPVWIK-HNAYVOBHSA-N -1 1 379.460 3.158 20 30 GGEDMM N#Cc1ccc(OC2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)cc1 ZINC000737722358 1428742924 /nfs/dbraw/zinc/74/29/24/1428742924.db2.gz SVURGQMDUJXTFS-UHFFFAOYSA-N -1 1 380.839 3.440 20 30 GGEDMM CC(C)c1ccc(C(=O)[C@H](C)Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000736193515 1428772894 /nfs/dbraw/zinc/77/28/94/1428772894.db2.gz SGQBSUFVHDYRFJ-NSHDSACASA-N -1 1 393.476 3.202 20 30 GGEDMM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1SCCC#N ZINC000736170583 1428776539 /nfs/dbraw/zinc/77/65/39/1428776539.db2.gz VMLMMOGRTWXWGB-ZDUSSCGKSA-N -1 1 394.460 3.278 20 30 GGEDMM N#Cc1c[nH]c(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000177528419 1428782667 /nfs/dbraw/zinc/78/26/67/1428782667.db2.gz FAYYULGYSGVLPZ-UHFFFAOYSA-N -1 1 384.392 3.079 20 30 GGEDMM Oc1ccc(C=NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(O)c1O ZINC000826510993 1428778817 /nfs/dbraw/zinc/77/88/17/1428778817.db2.gz WTEUMYUHJZRQCF-UUYOSTAYSA-N -1 1 387.399 3.270 20 30 GGEDMM C(=NO[C@H]1CCCCO1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823868243 1428784419 /nfs/dbraw/zinc/78/44/19/1428784419.db2.gz SBDDAIXHSDBAKL-IBGZPJMESA-N -1 1 379.420 3.323 20 30 GGEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000121701595 1414228756 /nfs/dbraw/zinc/22/87/56/1414228756.db2.gz YWOWMKSEIYGBBL-UHFFFAOYSA-N -1 1 377.473 3.494 20 30 GGEDMM Cc1ccccc1NC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000121990544 1414333303 /nfs/dbraw/zinc/33/33/03/1414333303.db2.gz RBMIJUCBWUFLES-CYBMUJFWSA-N -1 1 378.457 3.418 20 30 GGEDMM CC[C@H](C#N)OC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000122183414 1414381925 /nfs/dbraw/zinc/38/19/25/1414381925.db2.gz GYDSWWCTPNDHMK-OAHLLOKOSA-N -1 1 376.409 3.394 20 30 GGEDMM CC[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000122181221 1414382276 /nfs/dbraw/zinc/38/22/76/1414382276.db2.gz LGUMTGIJZLAKEN-HNNXBMFYSA-N -1 1 376.409 3.394 20 30 GGEDMM CC[C@H](C#N)OC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000122184737 1414382495 /nfs/dbraw/zinc/38/24/95/1414382495.db2.gz JUTWGQPGGQSGJH-MRXNPFEDSA-N -1 1 376.409 3.394 20 30 GGEDMM CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n(C)n1 ZINC000177590183 1428805091 /nfs/dbraw/zinc/80/50/91/1428805091.db2.gz MMTGLTWYZFDJNA-GFCCVEGCSA-N -1 1 395.488 3.210 20 30 GGEDMM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2NC1=O ZINC000122283179 1414410841 /nfs/dbraw/zinc/41/08/41/1414410841.db2.gz WPJKONWVNYQCTA-AAEUAGOBSA-N -1 1 376.441 3.496 20 30 GGEDMM C[C@@H](C#N)CNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735506280 1428807722 /nfs/dbraw/zinc/80/77/22/1428807722.db2.gz UWWMMEGJLWQDQY-ZDUSSCGKSA-N -1 1 378.461 3.048 20 30 GGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000122390023 1414443604 /nfs/dbraw/zinc/44/36/04/1414443604.db2.gz QKQKRCIPRVEZGZ-QGZVFWFLSA-N -1 1 389.452 3.295 20 30 GGEDMM Cc1cc(C#N)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826257163 1428809470 /nfs/dbraw/zinc/80/94/70/1428809470.db2.gz QCIHPWFIOJSUDT-UHFFFAOYSA-N -1 1 385.330 3.005 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1C(F)(F)F ZINC000177622384 1428813779 /nfs/dbraw/zinc/81/37/79/1428813779.db2.gz SBJLSTFHKAUHAA-UHFFFAOYSA-N -1 1 394.334 3.428 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1C(F)(F)F ZINC000177623256 1428814123 /nfs/dbraw/zinc/81/41/23/1428814123.db2.gz SULIJARRIXMHIC-UHFFFAOYSA-N -1 1 395.362 3.263 20 30 GGEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000122882773 1414588330 /nfs/dbraw/zinc/58/83/30/1414588330.db2.gz ZXPLWXDTPBHGOV-UYAOXDASSA-N -1 1 397.438 3.319 20 30 GGEDMM C=CCCS(=O)(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000123052143 1414628434 /nfs/dbraw/zinc/62/84/34/1414628434.db2.gz KDRDPPXUTQHYIP-UHFFFAOYSA-N -1 1 394.518 3.422 20 30 GGEDMM N#C[C@@H](C(=O)CSc1ccncc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123441386 1414733120 /nfs/dbraw/zinc/73/31/20/1414733120.db2.gz OWUNRDZZHRPNLJ-ZDUSSCGKSA-N -1 1 396.497 3.227 20 30 GGEDMM COc1ccc([C@H](C#N)N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000123517595 1414760614 /nfs/dbraw/zinc/76/06/14/1414760614.db2.gz ASVSPVJDBTWOLG-SFHVURJKSA-N -1 1 385.851 3.077 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(OC(F)F)cc1 ZINC000124172715 1414899670 /nfs/dbraw/zinc/89/96/70/1414899670.db2.gz ZXCCFMNEUOPZBC-SECBINFHSA-N -1 1 388.342 3.477 20 30 GGEDMM N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000124850347 1415058908 /nfs/dbraw/zinc/05/89/08/1415058908.db2.gz ZBAPVQBAZVKJMZ-UHFFFAOYSA-N -1 1 392.846 3.428 20 30 GGEDMM Cc1c(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822084816 1428866754 /nfs/dbraw/zinc/86/67/54/1428866754.db2.gz PURFFZXWKHYZLB-MJGOQNOKSA-N -1 1 387.447 3.479 20 30 GGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC000125274482 1415149643 /nfs/dbraw/zinc/14/96/43/1415149643.db2.gz VIJMIDYFBOVBGH-UHFFFAOYSA-N -1 1 399.451 3.424 20 30 GGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 ZINC000125279705 1415151005 /nfs/dbraw/zinc/15/10/05/1415151005.db2.gz YKSNAMOFFUGZGA-UHFFFAOYSA-N -1 1 398.488 3.090 20 30 GGEDMM Cn1c(C([O-])=C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc2ccccc21 ZINC000125387743 1415183385 /nfs/dbraw/zinc/18/33/85/1415183385.db2.gz HFRWKMXVMSOZEM-OAHLLOKOSA-N -1 1 383.415 3.179 20 30 GGEDMM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400302 1428878515 /nfs/dbraw/zinc/87/85/15/1428878515.db2.gz VBZBTFAEUOPTOP-RJRFIUFISA-N -1 1 386.770 3.327 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(-n2cccn2)cc1 ZINC000125804214 1415285500 /nfs/dbraw/zinc/28/55/00/1415285500.db2.gz VNBHNMQEYFOPIF-GFCCVEGCSA-N -1 1 388.399 3.062 20 30 GGEDMM CC(=NOCc1cccc(-c2nnn[n-]2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000823963248 1428895846 /nfs/dbraw/zinc/89/58/46/1428895846.db2.gz ZIJLPQKHHAYQOY-UHFFFAOYSA-N -1 1 376.420 3.156 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(=O)o1 ZINC000125860964 1415299216 /nfs/dbraw/zinc/29/92/16/1415299216.db2.gz HYBOIXDDKKYXEI-CQQBXOTJSA-N -1 1 399.406 3.163 20 30 GGEDMM O=C(C#Cc1ccccc1)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822912279 1428921712 /nfs/dbraw/zinc/92/17/12/1428921712.db2.gz USIPMQMPKBVIIJ-UHFFFAOYSA-N -1 1 395.422 3.436 20 30 GGEDMM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000820673987 1428918380 /nfs/dbraw/zinc/91/83/80/1428918380.db2.gz AIDJPRCRAMAGIU-BIWSTMPVSA-N -1 1 384.509 3.278 20 30 GGEDMM C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000824753585 1428921142 /nfs/dbraw/zinc/92/11/42/1428921142.db2.gz FHGWVEQSHLVONI-LLVKDONJSA-N -1 1 390.900 3.343 20 30 GGEDMM C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820339821 1428914687 /nfs/dbraw/zinc/91/46/87/1428914687.db2.gz GTIJBQHPQYSGKJ-CQSZACIVSA-N -1 1 387.447 3.174 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(F)c(C#N)c1 ZINC000820033587 1428934422 /nfs/dbraw/zinc/93/44/22/1428934422.db2.gz XIWYNFGJKIDYIZ-GOSISDBHSA-N -1 1 395.394 3.024 20 30 GGEDMM COc1ccc2nc(NN=Cc3ccc(-c4nnn[n-]4)cc3F)c(C)cc2c1 ZINC000826213812 1428927326 /nfs/dbraw/zinc/92/73/26/1428927326.db2.gz NOWBIXLSDKRUTQ-UHFFFAOYSA-N -1 1 377.383 3.317 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1noc(-c2ccccc2)n1 ZINC000126587277 1415500276 /nfs/dbraw/zinc/50/02/76/1415500276.db2.gz POWWAHKYSMRFMN-NSHDSACASA-N -1 1 388.836 3.301 20 30 GGEDMM N#CCCN(CCC#N)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826381404 1428944597 /nfs/dbraw/zinc/94/45/97/1428944597.db2.gz KKERFNCWOPSBIT-UHFFFAOYSA-N -1 1 387.447 3.075 20 30 GGEDMM C=C(C)[C@H](CC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1)OCC ZINC000823873006 1428981527 /nfs/dbraw/zinc/98/15/27/1428981527.db2.gz GQTFAGZCTCUMFE-SFHVURJKSA-N -1 1 381.436 3.364 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000127352888 1415749614 /nfs/dbraw/zinc/74/96/14/1415749614.db2.gz XVRGDLJPYUNEFY-SFHVURJKSA-N -1 1 375.425 3.049 20 30 GGEDMM CC[C@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000127366325 1415755340 /nfs/dbraw/zinc/75/53/40/1415755340.db2.gz DCCTZTUIYMTHAR-LJQANCHMSA-N -1 1 389.452 3.357 20 30 GGEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127686625 1415833147 /nfs/dbraw/zinc/83/31/47/1415833147.db2.gz RVGAALTXVHJVLE-ZDUSSCGKSA-N -1 1 393.384 3.074 20 30 GGEDMM CC(C)C[C@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735756095 1429022268 /nfs/dbraw/zinc/02/22/68/1429022268.db2.gz LELYCHJPDPNNPT-GOSISDBHSA-N -1 1 390.447 3.114 20 30 GGEDMM CCc1nc2ccc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2nc1CC ZINC000736707727 1429031134 /nfs/dbraw/zinc/03/11/34/1429031134.db2.gz ZCHXQUSDWCUFAN-UHFFFAOYSA-N -1 1 398.430 3.059 20 30 GGEDMM C=CCC(CC=C)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823888557 1429045426 /nfs/dbraw/zinc/04/54/26/1429045426.db2.gz QGXQMGNTXJWVAP-UHFFFAOYSA-N -1 1 383.843 3.413 20 30 GGEDMM CCc1nnc(NCc2cccc(O[C@@H](C#N)CC)c2)c(-c2nnn[n-]2)c1CC ZINC000821542382 1429068316 /nfs/dbraw/zinc/06/83/16/1429068316.db2.gz QIQVSCBTCYQQRC-CQSZACIVSA-N -1 1 392.467 3.075 20 30 GGEDMM C=CCCOCCNC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000129620713 1416238163 /nfs/dbraw/zinc/23/81/63/1416238163.db2.gz ZJUONKGXRYOFDV-UHFFFAOYSA-N -1 1 390.386 3.245 20 30 GGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(-c2ccccc2)n1 ZINC000130211633 1416340356 /nfs/dbraw/zinc/34/03/56/1416340356.db2.gz SCMYYJIZJSQJCX-CYBMUJFWSA-N -1 1 383.770 3.021 20 30 GGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccn3)n2)cc1 ZINC000131237137 1416527895 /nfs/dbraw/zinc/52/78/95/1416527895.db2.gz MZKXYAQHHRRWRC-CQSZACIVSA-N -1 1 378.413 3.175 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)c3ccncc3F)nc2C)n[n-]c1=S ZINC000133222712 1416866369 /nfs/dbraw/zinc/86/63/69/1416866369.db2.gz UIQSSHIRFVRUJJ-UHFFFAOYSA-N -1 1 376.442 3.345 20 30 GGEDMM Cc1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000822263309 1429150442 /nfs/dbraw/zinc/15/04/42/1429150442.db2.gz LOBLNQCHLCARMW-UHFFFAOYSA-N -1 1 376.420 3.153 20 30 GGEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1)C1CC1 ZINC000134465782 1417072996 /nfs/dbraw/zinc/07/29/96/1417072996.db2.gz XHZKWORWSPPMPC-UHFFFAOYSA-N -1 1 383.473 3.178 20 30 GGEDMM C=C(Cl)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000134854501 1417134685 /nfs/dbraw/zinc/13/46/85/1417134685.db2.gz MCJAAIBTSRLSSD-UHFFFAOYSA-N -1 1 375.071 3.142 20 30 GGEDMM Cn1cc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826361664 1429171790 /nfs/dbraw/zinc/17/17/90/1429171790.db2.gz HWCMUMJFRXQXQV-UHFFFAOYSA-N -1 1 390.838 3.404 20 30 GGEDMM N#C[C@@H](C(=O)CCc1ccccn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136144500 1417295698 /nfs/dbraw/zinc/29/56/98/1417295698.db2.gz YOIJNLVOGQPBOZ-AWEZNQCLSA-N -1 1 378.457 3.067 20 30 GGEDMM C=C(C)COCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000136187792 1417299533 /nfs/dbraw/zinc/29/95/33/1417299533.db2.gz JZYBTVNKPKYHLY-UHFFFAOYSA-N -1 1 388.489 3.118 20 30 GGEDMM N#Cc1ccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000826384141 1429175449 /nfs/dbraw/zinc/17/54/49/1429175449.db2.gz IKJQZZUBWHLUJA-UHFFFAOYSA-N -1 1 380.411 3.335 20 30 GGEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)[C@@H](C)CC#N)c1 ZINC000137000312 1417361129 /nfs/dbraw/zinc/36/11/29/1417361129.db2.gz RHIKSJKERKOOLD-AWEZNQCLSA-N -1 1 389.452 3.309 20 30 GGEDMM Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000137000213 1417361369 /nfs/dbraw/zinc/36/13/69/1417361369.db2.gz RIUGNRBGMBAAER-AWEZNQCLSA-N -1 1 389.452 3.309 20 30 GGEDMM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccccc1Cl ZINC000826420526 1429193039 /nfs/dbraw/zinc/19/30/39/1429193039.db2.gz QRKRKFXHTQZTKX-UHFFFAOYSA-N -1 1 398.875 3.348 20 30 GGEDMM CCOc1cc(-c2nnn[n-]2)ccc1OCc1ccc(C#N)cc1OC(F)F ZINC000821395372 1429195734 /nfs/dbraw/zinc/19/57/34/1429195734.db2.gz XQESPCGLHNYISM-UHFFFAOYSA-N -1 1 387.346 3.317 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(C#N)CC3)cc2)cc1C ZINC000147239300 1417742196 /nfs/dbraw/zinc/74/21/96/1417742196.db2.gz HFAWPCIPMLNHQB-UHFFFAOYSA-N -1 1 397.500 3.480 20 30 GGEDMM COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000150781530 1417805539 /nfs/dbraw/zinc/80/55/39/1417805539.db2.gz SNTOLYMGZFYPCW-UHFFFAOYSA-N -1 1 398.362 3.093 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c(F)c1 ZINC000150970232 1417845746 /nfs/dbraw/zinc/84/57/46/1417845746.db2.gz ILUDEZJTUIHQAU-UHFFFAOYSA-N -1 1 393.403 3.436 20 30 GGEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(-c4ccccn4)nc3c2)cc1 ZINC000150972978 1417846615 /nfs/dbraw/zinc/84/66/15/1417846615.db2.gz GIZUHISMGUINCX-UHFFFAOYSA-N -1 1 389.440 3.492 20 30 GGEDMM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735652187 1429312575 /nfs/dbraw/zinc/31/25/75/1429312575.db2.gz DNLPEHWLUDHHEM-UHFFFAOYSA-N -1 1 376.420 3.053 20 30 GGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(F)(F)F)[nH]c1=O ZINC000822922826 1429344292 /nfs/dbraw/zinc/34/42/92/1429344292.db2.gz KILLLYAMTKOBEQ-HYXAFXHYSA-N -1 1 379.273 3.021 20 30 GGEDMM Fc1ccc(-c2n[nH]cc2C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826373033 1429375837 /nfs/dbraw/zinc/37/58/37/1429375837.db2.gz XGNJOBPUUOCMBG-UHFFFAOYSA-N -1 1 382.790 3.495 20 30 GGEDMM CC(C)(CN=Nc1ccc(-c2nnn[n-]2)cc1)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000819975923 1429385608 /nfs/dbraw/zinc/38/56/08/1429385608.db2.gz FRFCIROTOMRCIV-QGZVFWFLSA-N -1 1 379.424 3.351 20 30 GGEDMM C=C(Br)CNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000179479537 1429388579 /nfs/dbraw/zinc/38/85/79/1429388579.db2.gz WGTWJKSLKMFCID-UHFFFAOYSA-N -1 1 397.147 3.141 20 30 GGEDMM CCN(C(=O)[C@H](C)Oc1ccccc1C#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361031 1429389271 /nfs/dbraw/zinc/38/92/71/1429389271.db2.gz ADIAEVNAILVKPN-LBPRGKRZSA-N -1 1 396.838 3.212 20 30 GGEDMM N#Cc1ccc(N2CCC[C@@H](Sc3ccccc3-c3nnn[n-]3)C2=O)cc1 ZINC000826385206 1429411261 /nfs/dbraw/zinc/41/12/61/1429411261.db2.gz BIDMAQXKQSSDSC-QGZVFWFLSA-N -1 1 376.445 3.026 20 30 GGEDMM N#Cc1ccc(-c2nnc(CNc3ccc(-c4nnn[n-]4)cc3Cl)o2)cc1 ZINC000822823670 1429416056 /nfs/dbraw/zinc/41/60/56/1429416056.db2.gz XFRPELLNFJQLMZ-UHFFFAOYSA-N -1 1 378.783 3.054 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(F)cc1C#N ZINC000735737121 1429426250 /nfs/dbraw/zinc/42/62/50/1429426250.db2.gz ZDCWAJRGUMSDLR-GOSISDBHSA-N -1 1 395.394 3.024 20 30 GGEDMM N#Cc1cnc2c(F)ccc(Cl)c2c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822842555 1429474924 /nfs/dbraw/zinc/47/49/24/1429474924.db2.gz NYQZZBBFNLKSBT-UHFFFAOYSA-N -1 1 397.776 3.252 20 30 GGEDMM Oc1ccc(Cl)cc1C=NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826511317 1429481357 /nfs/dbraw/zinc/48/13/57/1429481357.db2.gz KMNJZRKMMMMGPQ-SRZZPIQSSA-N -1 1 398.854 3.430 20 30 GGEDMM CC(C)(C#N)CNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000824059486 1429504018 /nfs/dbraw/zinc/50/40/18/1429504018.db2.gz XPDJMHYLVGCJOU-UHFFFAOYSA-N -1 1 378.461 3.297 20 30 GGEDMM N#CC1(c2ccc(C(=O)OCCCOc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000826380272 1429533734 /nfs/dbraw/zinc/53/37/34/1429533734.db2.gz TYAZRJRIYFSSRK-UHFFFAOYSA-N -1 1 389.415 3.048 20 30 GGEDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000152637179 1422182651 /nfs/dbraw/zinc/18/26/51/1422182651.db2.gz LJJNKXFKLSUJDJ-UHFFFAOYSA-N -1 1 375.406 3.363 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(OC(F)F)c(F)c2)o1 ZINC000824142909 1429560863 /nfs/dbraw/zinc/56/08/63/1429560863.db2.gz ZTIKFFPFEZPSJS-UHFFFAOYSA-N -1 1 395.345 3.339 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000820486996 1429585635 /nfs/dbraw/zinc/58/56/35/1429585635.db2.gz DSDDUZOMTDVHAS-IFXJQAMLSA-N -1 1 391.431 3.446 20 30 GGEDMM C=C(C)[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2)OCC ZINC000823873565 1429596136 /nfs/dbraw/zinc/59/61/36/1429596136.db2.gz NJRIUEBCAMNJJA-YPMHNXCESA-N -1 1 375.498 3.363 20 30 GGEDMM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(C#N)cc1 ZINC000736137335 1429591340 /nfs/dbraw/zinc/59/13/40/1429591340.db2.gz JSOBEXUTRRDXJZ-LLVKDONJSA-N -1 1 386.375 3.368 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820032127 1429612100 /nfs/dbraw/zinc/61/21/00/1429612100.db2.gz LKPCSSZLTVTZOP-GOSISDBHSA-N -1 1 395.394 3.024 20 30 GGEDMM CC(C)CO[C@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC000735839341 1429618246 /nfs/dbraw/zinc/61/82/46/1429618246.db2.gz PPTVVHRZBOVVRV-LBPRGKRZSA-N -1 1 375.477 3.391 20 30 GGEDMM C[C@@]1(C#N)CCCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000824777557 1429620006 /nfs/dbraw/zinc/62/00/06/1429620006.db2.gz JTCCWQSHYWBVEN-NRFANRHFSA-N -1 1 388.431 3.425 20 30 GGEDMM C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735399214 1423228351 /nfs/dbraw/zinc/22/83/51/1423228351.db2.gz QNDJHTGSXXRBOI-ZDUSSCGKSA-N -1 1 388.541 3.422 20 30 GGEDMM C=C(C)CN(CC)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735399214 1423228361 /nfs/dbraw/zinc/22/83/61/1423228361.db2.gz QNDJHTGSXXRBOI-ZDUSSCGKSA-N -1 1 388.541 3.422 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000822145309 1423237106 /nfs/dbraw/zinc/23/71/06/1423237106.db2.gz QFWGLTWHOUXDNB-WMZOPIPTSA-N -1 1 388.431 3.390 20 30 GGEDMM C[C@@H](CN(C)C(=O)c1ccccc1SCc1ccc(C#N)cc1)c1nnn[n-]1 ZINC000124444445 1423237312 /nfs/dbraw/zinc/23/73/12/1423237312.db2.gz LLSFDWHGCVAGGP-AWEZNQCLSA-N -1 1 392.488 3.239 20 30 GGEDMM Cc1ccc([N+](=O)[O-])cc1C(C)N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000735451190 1429626850 /nfs/dbraw/zinc/62/68/50/1429626850.db2.gz SFOZAZFHUHSRAP-UHFFFAOYSA-N -1 1 384.400 3.205 20 30 GGEDMM S=C(N=C1CCN(c2ccccc2)N1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738400883 1423277971 /nfs/dbraw/zinc/27/79/71/1423277971.db2.gz NFWKYUUAHJMLMO-UHFFFAOYSA-N -1 1 398.883 3.030 20 30 GGEDMM CCCC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000825220852 1423391796 /nfs/dbraw/zinc/39/17/96/1423391796.db2.gz XCKDHWWLFRSSCE-UHFFFAOYSA-N -1 1 386.803 3.440 20 30 GGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819899028 1429639657 /nfs/dbraw/zinc/63/96/57/1429639657.db2.gz MLJOWBGWRWMYJW-SFHVURJKSA-N -1 1 390.447 3.114 20 30 GGEDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823635511 1423457126 /nfs/dbraw/zinc/45/71/26/1423457126.db2.gz ZGFBGMNJHIVNKM-UHFFFAOYSA-N -1 1 395.276 3.379 20 30 GGEDMM COc1cccc(NC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000155665867 1423475983 /nfs/dbraw/zinc/47/59/83/1423475983.db2.gz FOTPJJQAEWKUEB-CQSZACIVSA-N -1 1 394.456 3.118 20 30 GGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1c(Cl)nc2ccccn21 ZINC000823498482 1423481677 /nfs/dbraw/zinc/48/16/77/1423481677.db2.gz RKACLBNYDFEECI-BENRWUELSA-N -1 1 376.807 3.380 20 30 GGEDMM CCC[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1nnn[n-]1 ZINC000136694125 1423544696 /nfs/dbraw/zinc/54/46/96/1423544696.db2.gz YWOHDCOLQNBIFJ-KRWDZBQOSA-N -1 1 376.420 3.443 20 30 GGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000179949447 1429658364 /nfs/dbraw/zinc/65/83/64/1429658364.db2.gz WCNHRRUBCPNKAG-UHFFFAOYSA-N -1 1 388.199 3.279 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(F)cc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360068 1423643504 /nfs/dbraw/zinc/64/35/04/1423643504.db2.gz WOSSZWXXUHJSBO-RMKNXTFCSA-N -1 1 392.369 3.442 20 30 GGEDMM CC(C)N(CCC#N)C(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735859087 1423703939 /nfs/dbraw/zinc/70/39/39/1423703939.db2.gz OMVPCHMZRYFBIZ-UHFFFAOYSA-N -1 1 390.447 3.210 20 30 GGEDMM C=CCCO[C@H](C)C(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000823899480 1423713293 /nfs/dbraw/zinc/71/32/93/1423713293.db2.gz WZOVXVKWMCEPCF-FAEJEUNOSA-N -1 1 399.495 3.423 20 30 GGEDMM Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737562184 1423726417 /nfs/dbraw/zinc/72/64/17/1423726417.db2.gz LGENNQDEDZGLEZ-UHFFFAOYSA-N -1 1 389.350 3.093 20 30 GGEDMM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000820939695 1423733443 /nfs/dbraw/zinc/73/34/43/1423733443.db2.gz XDXFKTJJAGUHNL-ZDUSSCGKSA-N -1 1 399.867 3.123 20 30 GGEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819739770 1429668468 /nfs/dbraw/zinc/66/84/68/1429668468.db2.gz GVEBQFVEVHNRFZ-UHFFFAOYSA-N -1 1 395.916 3.277 20 30 GGEDMM Cc1cc(C)c(C#N)c(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)n1 ZINC000737239674 1423773602 /nfs/dbraw/zinc/77/36/02/1423773602.db2.gz FKQDQZMAMRVJPU-UHFFFAOYSA-N -1 1 390.432 3.093 20 30 GGEDMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)c3cccc(c23)C1=O ZINC000156325535 1423780294 /nfs/dbraw/zinc/78/02/94/1423780294.db2.gz KGMUMCYBHYDCIG-UHFFFAOYSA-N -1 1 381.388 3.241 20 30 GGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000156331657 1423784041 /nfs/dbraw/zinc/78/40/41/1423784041.db2.gz NUVNXTOYYBVSIH-UHFFFAOYSA-N -1 1 392.436 3.243 20 30 GGEDMM C=CCCC(=O)OCc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000735408125 1423882462 /nfs/dbraw/zinc/88/24/62/1423882462.db2.gz GHWRDLXMTCJWNI-UHFFFAOYSA-N -1 1 394.431 3.464 20 30 GGEDMM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157014163 1423903368 /nfs/dbraw/zinc/90/33/68/1423903368.db2.gz XZFPGZYFDGKZID-HNNXBMFYSA-N -1 1 389.433 3.295 20 30 GGEDMM CC(C)(C#N)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000824059109 1423917803 /nfs/dbraw/zinc/91/78/03/1423917803.db2.gz MQJVUNWEHHVGTR-UHFFFAOYSA-N -1 1 377.408 3.330 20 30 GGEDMM Fc1cccc(-n2ccc(NCC#Cc3ccc(Cl)cc3)n2)c1-c1nnn[n-]1 ZINC000826376855 1429685876 /nfs/dbraw/zinc/68/58/76/1429685876.db2.gz VTQPUUFVCMWKDN-UHFFFAOYSA-N -1 1 393.813 3.309 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cn1 ZINC000180011506 1429690726 /nfs/dbraw/zinc/69/07/26/1429690726.db2.gz HZSAYZSWTVUDNS-UHFFFAOYSA-N -1 1 375.413 3.093 20 30 GGEDMM N#C[C@@H](C(=O)C=Cc1cccnc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379489 1424026593 /nfs/dbraw/zinc/02/65/93/1424026593.db2.gz STRTUIVEPNBGAC-ICFOYXHFSA-N -1 1 399.439 3.275 20 30 GGEDMM N#Cc1cccc(CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1 ZINC000826386890 1424084629 /nfs/dbraw/zinc/08/46/29/1424084629.db2.gz XHAZBBRZEZEBEW-UHFFFAOYSA-N -1 1 387.428 3.043 20 30 GGEDMM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)cc1F ZINC000157823041 1424096511 /nfs/dbraw/zinc/09/65/11/1424096511.db2.gz KDDWFTLKCIMDLM-AWEZNQCLSA-N -1 1 381.360 3.174 20 30 GGEDMM N#Cc1cccc(Cl)c1N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822837847 1424129701 /nfs/dbraw/zinc/12/97/01/1424129701.db2.gz VJSKBTVZYZNYCJ-UHFFFAOYSA-N -1 1 379.855 3.108 20 30 GGEDMM Cc1cc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1Cl ZINC000737278679 1424130363 /nfs/dbraw/zinc/13/03/63/1424130363.db2.gz KZMTVABQVLQULU-UHFFFAOYSA-N -1 1 396.838 3.498 20 30 GGEDMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736170834 1424170891 /nfs/dbraw/zinc/17/08/91/1424170891.db2.gz XXOIGQMEZGDERM-ZDUSSCGKSA-N -1 1 390.447 3.442 20 30 GGEDMM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1ccccc1OC(F)F ZINC000826184716 1424192066 /nfs/dbraw/zinc/19/20/66/1424192066.db2.gz IDYIBYHMWOZQFJ-UHFFFAOYSA-N -1 1 375.335 3.027 20 30 GGEDMM C=C(C)COc1cccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735402206 1424221697 /nfs/dbraw/zinc/22/16/97/1424221697.db2.gz MAPNKCMWIZMTER-UHFFFAOYSA-N -1 1 378.436 3.486 20 30 GGEDMM COc1cc(C=NOCc2ccc(F)cc2-c2nnn[n-]2)ccc1OC(F)F ZINC000737044365 1424271108 /nfs/dbraw/zinc/27/11/08/1424271108.db2.gz QPGKLBHTWCOKSG-UHFFFAOYSA-N -1 1 393.325 3.167 20 30 GGEDMM C#CCOCCC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000158795779 1424343818 /nfs/dbraw/zinc/34/38/18/1424343818.db2.gz QAUNMAUZOQTBRE-UHFFFAOYSA-N -1 1 386.473 3.083 20 30 GGEDMM C=CCOc1ccc(C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735437420 1424383742 /nfs/dbraw/zinc/38/37/42/1424383742.db2.gz HULGNBJPMMELLJ-AWEZNQCLSA-N -1 1 380.404 3.056 20 30 GGEDMM Cc1c(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000819782024 1429732556 /nfs/dbraw/zinc/73/25/56/1429732556.db2.gz HYRJTDPWQCBRDQ-UHFFFAOYSA-N -1 1 384.400 3.205 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc([C@@H](C)CCC)n[nH]2)c1 ZINC000159863808 1424545375 /nfs/dbraw/zinc/54/53/75/1424545375.db2.gz CQTGPFYIZXARMV-ZDUSSCGKSA-N -1 1 376.482 3.030 20 30 GGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000159882736 1424549629 /nfs/dbraw/zinc/54/96/29/1424549629.db2.gz HPKYNMFPTJQIEL-UHFFFAOYSA-N -1 1 391.475 3.295 20 30 GGEDMM C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccc(C)cc1 ZINC000823936973 1424646829 /nfs/dbraw/zinc/64/68/29/1424646829.db2.gz BXNVWSZYYRIVRF-UHFFFAOYSA-N -1 1 390.476 3.307 20 30 GGEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000161513085 1424697893 /nfs/dbraw/zinc/69/78/93/1424697893.db2.gz DEMWIMCWSFSXQT-UHFFFAOYSA-N -1 1 389.459 3.071 20 30 GGEDMM COc1cc2c(c(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)c1)O[C@@H](C)C2 ZINC000821713439 1424733024 /nfs/dbraw/zinc/73/30/24/1424733024.db2.gz XNLYUMWCHDHDJX-IGVUGNCQSA-N -1 1 388.427 3.411 20 30 GGEDMM Cc1cnc(NCc2ccc(C#N)cc2)nc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822394527 1424764995 /nfs/dbraw/zinc/76/49/95/1424764995.db2.gz CLROROOMNONJBZ-UHFFFAOYSA-N -1 1 397.446 3.061 20 30 GGEDMM Cn1cc(C=NNCc2cccc(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360592 1424863839 /nfs/dbraw/zinc/86/38/39/1424863839.db2.gz QGJJRILDLCMALW-UHFFFAOYSA-N -1 1 392.854 3.044 20 30 GGEDMM N#Cc1cc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000737708049 1424912510 /nfs/dbraw/zinc/91/25/10/1424912510.db2.gz CRTFQBJFDJWPLJ-UHFFFAOYSA-N -1 1 377.383 3.074 20 30 GGEDMM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccccc1Cl ZINC000826420866 1424947947 /nfs/dbraw/zinc/94/79/47/1424947947.db2.gz GOTKNHVYCYDCPM-UHFFFAOYSA-N -1 1 384.848 3.207 20 30 GGEDMM COc1cccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826213988 1425037057 /nfs/dbraw/zinc/03/70/57/1425037057.db2.gz VUIBEEABJCIHIF-KHPPLWFESA-N -1 1 386.415 3.172 20 30 GGEDMM CCOc1ccc([N+](=O)[O-])cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821426309 1425162313 /nfs/dbraw/zinc/16/23/13/1425162313.db2.gz BYVSYTUQOZMAAC-RAXLEYEMSA-N -1 1 391.387 3.386 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCOC1CCCCCC1 ZINC000735420927 1425170845 /nfs/dbraw/zinc/17/08/45/1425170845.db2.gz VTDLLXHCHQTBMZ-UHFFFAOYSA-N -1 1 398.511 3.304 20 30 GGEDMM N#Cc1cc(NCCSCc2ccccc2-c2nnn[n-]2)c2ccccc2n1 ZINC000737710338 1425190348 /nfs/dbraw/zinc/19/03/48/1425190348.db2.gz UFDSQJIVQVUHNZ-UHFFFAOYSA-N -1 1 387.472 3.054 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000824035212 1425201251 /nfs/dbraw/zinc/20/12/51/1425201251.db2.gz UIZLQNIRYWWTLO-CYBMUJFWSA-N -1 1 394.460 3.029 20 30 GGEDMM N#CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000822811382 1425203081 /nfs/dbraw/zinc/20/30/81/1425203081.db2.gz YORLVKBRJCTSTB-UHFFFAOYSA-N -1 1 384.852 3.169 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000735436902 1425216473 /nfs/dbraw/zinc/21/64/73/1425216473.db2.gz SZPIOQRCQGBOKK-UITAMQMPSA-N -1 1 395.394 3.231 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)cnc2Cl)c(F)c1 ZINC000168309897 1425237118 /nfs/dbraw/zinc/23/71/18/1425237118.db2.gz UMGXMPQRCGYRHS-UHFFFAOYSA-N -1 1 390.621 3.309 20 30 GGEDMM Cc1ccc(SCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000737369056 1425266783 /nfs/dbraw/zinc/26/67/83/1425266783.db2.gz QOZAFQBQGFNWAA-UHFFFAOYSA-N -1 1 378.461 3.476 20 30 GGEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737281406 1425283464 /nfs/dbraw/zinc/28/34/64/1425283464.db2.gz XQBYVYAQVSIIML-UHFFFAOYSA-N -1 1 397.398 3.486 20 30 GGEDMM CCCCCCCCCN(C)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821048689 1425301127 /nfs/dbraw/zinc/30/11/27/1425301127.db2.gz FYFLXLGDXIOMNZ-UHFFFAOYSA-N -1 1 386.500 3.323 20 30 GGEDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(CNc2ccc(C#N)cn2)cc1 ZINC000824648053 1425306038 /nfs/dbraw/zinc/30/60/38/1425306038.db2.gz CZZBZCIXKGSYMG-CQSZACIVSA-N -1 1 397.446 3.314 20 30 GGEDMM CCCCCCCCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825272157 1425337097 /nfs/dbraw/zinc/33/70/97/1425337097.db2.gz XJXPDDPMACVHDL-GOSISDBHSA-N -1 1 386.500 3.310 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(F)cc1C#N ZINC000735737122 1425384543 /nfs/dbraw/zinc/38/45/43/1425384543.db2.gz ZDCWAJRGUMSDLR-SFHVURJKSA-N -1 1 395.394 3.024 20 30 GGEDMM COc1ccc(CCCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737087762 1425395042 /nfs/dbraw/zinc/39/50/42/1425395042.db2.gz IZRTVTLUMGZHQM-UHFFFAOYSA-N -1 1 390.447 3.489 20 30 GGEDMM N#Cc1cc(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737704131 1425414248 /nfs/dbraw/zinc/41/42/48/1425414248.db2.gz HCCSHXFWKBTHOO-OAHLLOKOSA-N -1 1 386.337 3.413 20 30 GGEDMM N#C[C@@H](NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000822801845 1425448309 /nfs/dbraw/zinc/44/83/09/1425448309.db2.gz PLQLGNKATGKRMU-MRXNPFEDSA-N -1 1 376.445 3.050 20 30 GGEDMM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000819966061 1425468469 /nfs/dbraw/zinc/46/84/69/1425468469.db2.gz UTVIGRVUNIWEHB-VOTSOKGWSA-N -1 1 379.449 3.144 20 30 GGEDMM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000820556037 1425479002 /nfs/dbraw/zinc/47/90/02/1425479002.db2.gz QXDDKEUSXKPZNI-CYBMUJFWSA-N -1 1 396.451 3.433 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000735418462 1425518341 /nfs/dbraw/zinc/51/83/41/1425518341.db2.gz DXBAPUMTNDKJCL-JKSUJKDBSA-N -1 1 395.413 3.463 20 30 GGEDMM C=C(C)COc1cccc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000735402250 1425528362 /nfs/dbraw/zinc/52/83/62/1425528362.db2.gz OAJXFASTTYSVFT-AWEZNQCLSA-N -1 1 379.420 3.228 20 30 GGEDMM C#Cc1cccc(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)c1 ZINC000735391611 1425616667 /nfs/dbraw/zinc/61/66/67/1425616667.db2.gz UXUCLMGXMDMGMA-UHFFFAOYSA-N -1 1 378.461 3.444 20 30 GGEDMM CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000821133696 1425688470 /nfs/dbraw/zinc/68/84/70/1425688470.db2.gz FBTNRFWKVMJFIA-UHFFFAOYSA-N -1 1 382.811 3.433 20 30 GGEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(-n2ccnc2C)cc1 ZINC000823953461 1425696187 /nfs/dbraw/zinc/69/61/87/1425696187.db2.gz AVKPSUAIVWODPR-UHFFFAOYSA-N -1 1 393.842 3.245 20 30 GGEDMM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(-n2ccnc2C)cc1 ZINC000823953461 1425696189 /nfs/dbraw/zinc/69/61/89/1425696189.db2.gz AVKPSUAIVWODPR-UHFFFAOYSA-N -1 1 393.842 3.245 20 30 GGEDMM Cc1nccn1-c1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000823953461 1425696195 /nfs/dbraw/zinc/69/61/95/1425696195.db2.gz AVKPSUAIVWODPR-UHFFFAOYSA-N -1 1 393.842 3.245 20 30 GGEDMM N#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000171595241 1425753589 /nfs/dbraw/zinc/75/35/89/1425753589.db2.gz OARAWIDTJGWTLK-UHFFFAOYSA-N -1 1 375.425 3.050 20 30 GGEDMM N#Cc1cc(NC(=O)c2cnc(Cc3ccccc3)s2)ccc1-c1nnn[n-]1 ZINC000822823607 1425761882 /nfs/dbraw/zinc/76/18/82/1425761882.db2.gz UGQIZSRIFLAXAP-UHFFFAOYSA-N -1 1 387.428 3.038 20 30 GGEDMM CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000821134442 1425775415 /nfs/dbraw/zinc/77/54/15/1425775415.db2.gz VDLIQWHFKWBAEI-UHFFFAOYSA-N -1 1 382.811 3.433 20 30 GGEDMM C#Cc1ccc(C(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)nc1 ZINC000735389730 1425787435 /nfs/dbraw/zinc/78/74/35/1425787435.db2.gz HULLLULEXKJMME-UHFFFAOYSA-N -1 1 380.411 3.090 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H](C)C#N)c2)c1 ZINC000171845847 1425834038 /nfs/dbraw/zinc/83/40/38/1425834038.db2.gz ZJFLASIQNRSNIV-CYBMUJFWSA-N -1 1 391.880 3.339 20 30 GGEDMM Cc1ccc(C(=O)NC[C@H](C)C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000171847120 1425834100 /nfs/dbraw/zinc/83/41/00/1425834100.db2.gz FKTKGNDFFBHDLB-GFCCVEGCSA-N -1 1 391.880 3.339 20 30 GGEDMM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735506336 1425856567 /nfs/dbraw/zinc/85/65/67/1425856567.db2.gz VXHPSZPVEGNDIP-ZDUSSCGKSA-N -1 1 377.408 3.282 20 30 GGEDMM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2)ccc1NC(=O)NC[C@@H](C)C#N ZINC000822211674 1425904231 /nfs/dbraw/zinc/90/42/31/1425904231.db2.gz KLAROHIEXVOEGK-LBPRGKRZSA-N -1 1 377.408 3.249 20 30 GGEDMM C#Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000823861749 1425918762 /nfs/dbraw/zinc/91/87/62/1425918762.db2.gz QQRCZJCXFQFCAA-HNNXBMFYSA-N -1 1 394.438 3.401 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc(CC)c(C)s1 ZINC000819745666 1425948725 /nfs/dbraw/zinc/94/87/25/1425948725.db2.gz OQJSRNDWPOLYGK-UHFFFAOYSA-N -1 1 383.481 3.414 20 30 GGEDMM C=CCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc(OC)c1O ZINC000823937299 1425973176 /nfs/dbraw/zinc/97/31/76/1425973176.db2.gz QNACUNKUZMTIHM-YVMONPNESA-N -1 1 380.379 3.345 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000823915382 1425994800 /nfs/dbraw/zinc/99/48/00/1425994800.db2.gz WNAWMBPGLIQVRN-UHFFFAOYSA-N -1 1 398.810 3.257 20 30 GGEDMM Cc1ccc(C)c(N=C2NC(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)S2)c1 ZINC000822231792 1426019806 /nfs/dbraw/zinc/01/98/06/1426019806.db2.gz HRCHGYGUKJZQOA-VGOFMYFVSA-N -1 1 382.474 3.437 20 30 GGEDMM C=CCN(Cc1csc(N(C)C2CC2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745593 1426072818 /nfs/dbraw/zinc/07/28/18/1426072818.db2.gz LHZVMJGOXVBDPA-UHFFFAOYSA-N -1 1 381.509 3.110 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000172590567 1426101865 /nfs/dbraw/zinc/10/18/65/1426101865.db2.gz ZLERDLVCRTXKFE-UHFFFAOYSA-N -1 1 389.864 3.213 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccncc2)c1 ZINC000172591275 1426101879 /nfs/dbraw/zinc/10/18/79/1426101879.db2.gz DYZPCTDQALIQDW-UHFFFAOYSA-N -1 1 392.440 3.315 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1C ZINC000172591207 1426102507 /nfs/dbraw/zinc/10/25/07/1426102507.db2.gz SRMAZZKZYPDPKF-UHFFFAOYSA-N -1 1 383.473 3.212 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2=O)c1 ZINC000172591158 1426102578 /nfs/dbraw/zinc/10/25/78/1426102578.db2.gz PACOETRUWLZBJX-UHFFFAOYSA-N -1 1 383.473 3.180 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1N1CCOCC1 ZINC000172589892 1426102651 /nfs/dbraw/zinc/10/26/51/1426102651.db2.gz FNJYNCXXFGAAPM-UHFFFAOYSA-N -1 1 391.880 3.158 20 30 GGEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400434 1426103745 /nfs/dbraw/zinc/10/37/45/1426103745.db2.gz ZADQXAASVRLPFH-SOFGYWHQSA-N -1 1 378.342 3.431 20 30 GGEDMM C#Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000823861546 1426115969 /nfs/dbraw/zinc/11/59/69/1426115969.db2.gz MZYBAXDDIYTGSN-HNNXBMFYSA-N -1 1 394.438 3.401 20 30 GGEDMM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000736818877 1426199413 /nfs/dbraw/zinc/19/94/13/1426199413.db2.gz YQMAZIMQMLRHOF-UHFFFAOYSA-N -1 1 377.358 3.201 20 30 GGEDMM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)Cc1ccco1 ZINC000820151610 1426200582 /nfs/dbraw/zinc/20/05/82/1426200582.db2.gz JSXYNSKFOVRMIF-UHFFFAOYSA-N -1 1 395.423 3.195 20 30 GGEDMM N#Cc1cc(COC(=O)c2cccc(Nc3ccc(-c4nnn[n-]4)cc3)c2)ccn1 ZINC000822818555 1426241083 /nfs/dbraw/zinc/24/10/83/1426241083.db2.gz CNIOBBYAOQYLLO-UHFFFAOYSA-N -1 1 397.398 3.234 20 30 GGEDMM C#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000172933345 1426272208 /nfs/dbraw/zinc/27/22/08/1426272208.db2.gz PTBRHCBLVXFJRZ-UHFFFAOYSA-N -1 1 376.865 3.284 20 30 GGEDMM N#Cc1cc(F)c(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c(F)c1 ZINC000826384058 1426279350 /nfs/dbraw/zinc/27/93/50/1426279350.db2.gz FACMBLRUHZAGLD-UHFFFAOYSA-N -1 1 397.389 3.214 20 30 GGEDMM Cc1cccc(-c2cncc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2)c1 ZINC000822284538 1426339074 /nfs/dbraw/zinc/33/90/74/1426339074.db2.gz UEHNVIQKIPWAKZ-UHFFFAOYSA-N -1 1 381.399 3.361 20 30 GGEDMM CN(Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1)c1cc(Cl)ccc1C#N ZINC000825998687 1426343320 /nfs/dbraw/zinc/34/33/20/1426343320.db2.gz AEZHPHDPXBHNDU-UHFFFAOYSA-N -1 1 390.838 3.349 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OC(F)F ZINC000826190614 1426381124 /nfs/dbraw/zinc/38/11/24/1426381124.db2.gz HQANAZGENGASBK-RQOWECAXSA-N -1 1 378.360 3.434 20 30 GGEDMM N#Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)s1 ZINC000822826209 1426398712 /nfs/dbraw/zinc/39/87/12/1426398712.db2.gz VFNINDLLNWMRQY-NTUHNPAUSA-N -1 1 396.482 3.206 20 30 GGEDMM COc1ccsc1C=CC(=O)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821910435 1426401131 /nfs/dbraw/zinc/40/11/31/1426401131.db2.gz ALSIGYJKIPXXFA-FPLPWBNLSA-N -1 1 392.444 3.327 20 30 GGEDMM CC(C)(C)c1cc(NC(=O)Cc2ccccc2CC#N)c(-c2nnn[n-]2)s1 ZINC000824129623 1426420153 /nfs/dbraw/zinc/42/01/53/1426420153.db2.gz BGRAYNUGEVNSPK-UHFFFAOYSA-N -1 1 380.477 3.473 20 30 GGEDMM FC(F)Oc1ccccc1C=NOCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822737445 1426475033 /nfs/dbraw/zinc/47/50/33/1426475033.db2.gz VQKHTPVIBDHOMC-UHFFFAOYSA-N -1 1 384.346 3.272 20 30 GGEDMM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822825354 1426478059 /nfs/dbraw/zinc/47/80/59/1426478059.db2.gz BUATWUHLHKZZOZ-UHFFFAOYSA-N -1 1 387.325 3.079 20 30 GGEDMM CCc1c(C)sc(NC(=O)CSc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000736675262 1426479041 /nfs/dbraw/zinc/47/90/41/1426479041.db2.gz IWZJASNDHNDHDX-UHFFFAOYSA-N -1 1 384.490 3.402 20 30 GGEDMM CC[C@H](C#N)Oc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000825038469 1426493556 /nfs/dbraw/zinc/49/35/56/1426493556.db2.gz CGVZCORTSDUQLU-MRXNPFEDSA-N -1 1 389.463 3.434 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735736700 1426498446 /nfs/dbraw/zinc/49/84/46/1426498446.db2.gz VNBKTGNZMWDPBU-SFHVURJKSA-N -1 1 395.394 3.024 20 30 GGEDMM N#Cc1ccc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000826385852 1426500830 /nfs/dbraw/zinc/50/08/30/1426500830.db2.gz DZQQZALDQKFQKE-UHFFFAOYSA-N -1 1 393.310 3.212 20 30 GGEDMM CS[C@@H](C)CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826225061 1426514783 /nfs/dbraw/zinc/51/47/83/1426514783.db2.gz SBOBWZGMABOBBQ-GXFFZTMASA-N -1 1 384.490 3.308 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000735657183 1426524720 /nfs/dbraw/zinc/52/47/20/1426524720.db2.gz QCWZMDLYYGFWDT-UHFFFAOYSA-N -1 1 390.791 3.160 20 30 GGEDMM CC(C)OCCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824309821 1426530191 /nfs/dbraw/zinc/53/01/91/1426530191.db2.gz WKTWKFDKTPNFLD-HNNXBMFYSA-N -1 1 396.476 3.372 20 30 GGEDMM C=CCCC(=O)COC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823888093 1426533242 /nfs/dbraw/zinc/53/32/42/1426533242.db2.gz FWKVYAHEJAPTAV-UHFFFAOYSA-N -1 1 377.404 3.302 20 30 GGEDMM CCOc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000821417836 1426575218 /nfs/dbraw/zinc/57/52/18/1426575218.db2.gz UBUZXRUMMCMYID-UHFFFAOYSA-N -1 1 389.362 3.418 20 30 GGEDMM CC(C)N(CCC#N)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735858823 1426599584 /nfs/dbraw/zinc/59/95/84/1426599584.db2.gz GYYOKVYKNXRBJH-UHFFFAOYSA-N -1 1 390.447 3.210 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccccc1OC(C)C ZINC000735420191 1426603321 /nfs/dbraw/zinc/60/33/21/1426603321.db2.gz NENLWGPSDYWKRO-UHFFFAOYSA-N -1 1 377.448 3.482 20 30 GGEDMM COc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1Cn1cccn1 ZINC000821769580 1426630184 /nfs/dbraw/zinc/63/01/84/1426630184.db2.gz IJGARWBCICKUEL-VURMDHGXSA-N -1 1 386.415 3.016 20 30 GGEDMM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1Br ZINC000822226489 1426644710 /nfs/dbraw/zinc/64/47/10/1426644710.db2.gz UYUDYCZOBIICCJ-UHFFFAOYSA-N -1 1 383.209 3.062 20 30 GGEDMM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1OC(F)F ZINC000821703263 1426645418 /nfs/dbraw/zinc/64/54/18/1426645418.db2.gz XFRXLGMNGMILRU-HWKANZROSA-N -1 1 378.360 3.434 20 30 GGEDMM N#Cc1ccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000737711094 1426701829 /nfs/dbraw/zinc/70/18/29/1426701829.db2.gz YYPCMZHJUFIPGX-UHFFFAOYSA-N -1 1 379.380 3.220 20 30 GGEDMM C#CCN(CC#CC)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819697509 1426755836 /nfs/dbraw/zinc/75/58/36/1426755836.db2.gz HDTQGKLJBSHAPU-UHFFFAOYSA-N -1 1 387.468 3.117 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1sc2nc(C)nc(C)c2c1C ZINC000819773149 1426783207 /nfs/dbraw/zinc/78/32/07/1426783207.db2.gz PNQRYDNCWLUONN-UHFFFAOYSA-N -1 1 392.492 3.310 20 30 GGEDMM Cc1ccc(C)c(N=C2NC(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)S2)c1 ZINC000822231791 1426783438 /nfs/dbraw/zinc/78/34/38/1426783438.db2.gz HRCHGYGUKJZQOA-AUWJEWJLSA-N -1 1 382.474 3.437 20 30 GGEDMM C#Cc1cccc(N(Cc2ccco2)C(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735391036 1426830717 /nfs/dbraw/zinc/83/07/17/1426830717.db2.gz KNHNIOZEQSBZLT-UHFFFAOYSA-N -1 1 399.410 3.053 20 30 GGEDMM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c(Cl)c1OC ZINC000737082187 1426907497 /nfs/dbraw/zinc/90/74/97/1426907497.db2.gz DSYVNFXKQKNVQO-UHFFFAOYSA-N -1 1 391.819 3.095 20 30 GGEDMM C[C@@](C#N)(NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735505090 1426941140 /nfs/dbraw/zinc/94/11/40/1426941140.db2.gz SCBSDFXVUNSOJX-IBGZPJMESA-N -1 1 384.509 3.079 20 30 GGEDMM COc1ccc(-c2ncc(C([O-])=C(C#N)C(=O)Nc3ccccn3)s2)cc1 ZINC000174011291 1426942148 /nfs/dbraw/zinc/94/21/48/1426942148.db2.gz IUCGAAJKSFLMRP-AWEZNQCLSA-N -1 1 378.413 3.175 20 30 GGEDMM CC[C@H](C#N)Oc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1OC ZINC000736308188 1426947265 /nfs/dbraw/zinc/94/72/65/1426947265.db2.gz AKJGHMDCLCXQJG-GFCCVEGCSA-N -1 1 399.842 3.217 20 30 GGEDMM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc(-c3ccccn3)c2)n1 ZINC000826349945 1426965035 /nfs/dbraw/zinc/96/50/35/1426965035.db2.gz ANMVYYIYMSIHJR-UHFFFAOYSA-N -1 1 376.811 3.423 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc(-c3ccccn3)c2)n1 ZINC000826349945 1426965037 /nfs/dbraw/zinc/96/50/37/1426965037.db2.gz ANMVYYIYMSIHJR-UHFFFAOYSA-N -1 1 376.811 3.423 20 30 GGEDMM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2cccc(-c3ccccn3)c2)n1 ZINC000826349945 1426965038 /nfs/dbraw/zinc/96/50/38/1426965038.db2.gz ANMVYYIYMSIHJR-UHFFFAOYSA-N -1 1 376.811 3.423 20 30 GGEDMM Cn1cc(C=C2Cc3ccc(F)cc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359664 1427034096 /nfs/dbraw/zinc/03/40/96/1427034096.db2.gz NIEAHBBLTNPKJA-OQLLNIDSSA-N -1 1 386.390 3.229 20 30 GGEDMM N#Cc1cc(F)c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c(F)c1 ZINC000826384095 1427046824 /nfs/dbraw/zinc/04/68/24/1427046824.db2.gz GTQBTGQLQHMYOX-UHFFFAOYSA-N -1 1 375.722 3.027 20 30 GGEDMM N#Cc1cccc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1F ZINC000826386536 1427165122 /nfs/dbraw/zinc/16/51/22/1427165122.db2.gz JASKHXHTJQFOST-UHFFFAOYSA-N -1 1 391.284 3.253 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2cnn(Cc3ccccc3)c2)o1 ZINC000819782848 1427185952 /nfs/dbraw/zinc/18/59/52/1427185952.db2.gz QJJZZVIDEICLDY-UHFFFAOYSA-N -1 1 391.439 3.059 20 30 GGEDMM CCN(CC#N)C(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000825394672 1427197164 /nfs/dbraw/zinc/19/71/64/1427197164.db2.gz GOBWLEVMHMKZDR-UHFFFAOYSA-N -1 1 378.461 3.145 20 30 GGEDMM N#CCn1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc2ccccc21 ZINC000737697408 1427330958 /nfs/dbraw/zinc/33/09/58/1427330958.db2.gz FPYFYTKLXKSABH-UHFFFAOYSA-N -1 1 377.795 3.251 20 30 GGEDMM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822837897 1427331432 /nfs/dbraw/zinc/33/14/32/1427331432.db2.gz XPONVUZBXAIVJI-VMPITWQZSA-N -1 1 384.321 3.409 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cnc(Cc3ccccc3)s2)cc1-c1nnn[n-]1 ZINC000822829993 1427369712 /nfs/dbraw/zinc/36/97/12/1427369712.db2.gz SHHHCXQPZWGERQ-UHFFFAOYSA-N -1 1 387.428 3.038 20 30 GGEDMM CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1[N+](=O)[O-] ZINC000735647928 1427425879 /nfs/dbraw/zinc/42/58/79/1427425879.db2.gz HTVWSAPQCVRLBP-UHFFFAOYSA-N -1 1 391.391 3.196 20 30 GGEDMM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccc(Cl)cc1 ZINC000823066343 1427428221 /nfs/dbraw/zinc/42/82/21/1427428221.db2.gz VMUSKNLTEQRXFR-UHFFFAOYSA-N -1 1 384.848 3.207 20 30 GGEDMM COc1cc(C)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC ZINC000821708473 1427440127 /nfs/dbraw/zinc/44/01/27/1427440127.db2.gz QLLVIRYIQWSHKF-UVTDQMKNSA-N -1 1 376.416 3.405 20 30 GGEDMM C=CCCC[C@H](C)NC(=O)N1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823894001 1427443488 /nfs/dbraw/zinc/44/34/88/1427443488.db2.gz DMKULRORPYQXJF-HNNXBMFYSA-N -1 1 384.484 3.164 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc(C(C)(C)C)n1 ZINC000735420851 1427580361 /nfs/dbraw/zinc/58/03/61/1427580361.db2.gz UYQHGUAAAFSKDF-UHFFFAOYSA-N -1 1 382.493 3.449 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)CCOc1ccccc1 ZINC000819744034 1427609296 /nfs/dbraw/zinc/60/92/96/1427609296.db2.gz UHUDLEFTCWKBQX-QGZVFWFLSA-N -1 1 391.475 3.487 20 30 GGEDMM Fc1ccc(C#CCNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1 ZINC000826373271 1427633114 /nfs/dbraw/zinc/63/31/14/1427633114.db2.gz GPHORFHCQUKIGK-UHFFFAOYSA-N -1 1 393.813 3.309 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000735418611 1427640588 /nfs/dbraw/zinc/64/05/88/1427640588.db2.gz HPJNKVZMZHJCQM-QRWLVFNGSA-N -1 1 388.475 3.498 20 30 GGEDMM COc1cc(C)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC ZINC000821708472 1427651745 /nfs/dbraw/zinc/65/17/45/1427651745.db2.gz QLLVIRYIQWSHKF-GXDHUFHOSA-N -1 1 376.416 3.405 20 30 GGEDMM C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820413516 1427733372 /nfs/dbraw/zinc/73/33/72/1427733372.db2.gz RGGLUNWNOYWPFY-VXGBXAGGSA-N -1 1 395.854 3.070 20 30 GGEDMM C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820413516 1427733378 /nfs/dbraw/zinc/73/33/78/1427733378.db2.gz RGGLUNWNOYWPFY-VXGBXAGGSA-N -1 1 395.854 3.070 20 30 GGEDMM C#CCOc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823861700 1427766794 /nfs/dbraw/zinc/76/67/94/1427766794.db2.gz PYNJTPIQRMEHSE-UHFFFAOYSA-N -1 1 385.221 3.220 20 30 GGEDMM Cc1c(Cl)cnc(NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1C#N ZINC000826239047 1427773581 /nfs/dbraw/zinc/77/35/81/1427773581.db2.gz WSQWBVUOCLUVKO-UHFFFAOYSA-N -1 1 394.870 3.176 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000823914657 1427799260 /nfs/dbraw/zinc/79/92/60/1427799260.db2.gz LBJHOTZIVVALGU-UHFFFAOYSA-N -1 1 376.395 3.316 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000735420908 1427800267 /nfs/dbraw/zinc/80/02/67/1427800267.db2.gz VMZIFLKKGNSYSS-CQSZACIVSA-N -1 1 388.435 3.061 20 30 GGEDMM Fc1c(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000826370474 1427854440 /nfs/dbraw/zinc/85/44/40/1427854440.db2.gz VAQRHKVCMNUDFC-UHFFFAOYSA-N -1 1 383.271 3.323 20 30 GGEDMM CCCOc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC)cc1OC ZINC000825339308 1427872164 /nfs/dbraw/zinc/87/21/64/1427872164.db2.gz WCZLBFDNVQOZPU-UHFFFAOYSA-N -1 1 397.435 3.223 20 30 GGEDMM Cc1c(C(=O)C=Cc2nc(Cl)cs2)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826234185 1427883764 /nfs/dbraw/zinc/88/37/64/1427883764.db2.gz LLJJTLWJCHFALF-SREVYHEPSA-N -1 1 397.851 3.367 20 30 GGEDMM CCCNc1ccc(C#N)cc1NC(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000175784581 1427891295 /nfs/dbraw/zinc/89/12/95/1427891295.db2.gz WSBMQFUNCMFHRS-UHFFFAOYSA-N -1 1 392.463 3.317 20 30 GGEDMM N#CCCCOc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737688484 1427930575 /nfs/dbraw/zinc/93/05/75/1427930575.db2.gz UNEMJBFFWDQCEK-UHFFFAOYSA-N -1 1 394.460 3.280 20 30 GGEDMM Cc1c(C(=O)C=Cc2cccc(-n3cccn3)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822014880 1427991378 /nfs/dbraw/zinc/99/13/78/1427991378.db2.gz AWBTZHVYHQIQRB-CMDGGOBGSA-N -1 1 385.431 3.005 20 30 GGEDMM CC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000175998301 1428020258 /nfs/dbraw/zinc/02/02/58/1428020258.db2.gz JIYMSMQAOMZCPE-HNNXBMFYSA-N -1 1 376.409 3.394 20 30 GGEDMM O=C(C#Cc1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000176016725 1428028791 /nfs/dbraw/zinc/02/87/91/1428028791.db2.gz XEZUEAUFYYYTPU-UHFFFAOYSA-N -1 1 376.437 3.478 20 30 GGEDMM N#CCCn1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc21 ZINC000826382258 1428041954 /nfs/dbraw/zinc/04/19/54/1428041954.db2.gz VVKVHXYCRVQGPF-UHFFFAOYSA-N -1 1 391.826 3.229 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1-c1nnn[n-]1 ZINC000737718640 1428057401 /nfs/dbraw/zinc/05/74/01/1428057401.db2.gz LAEVJHMDXAWZAT-UHFFFAOYSA-N -1 1 390.406 3.390 20 30 GGEDMM N#Cc1ccc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000737719225 1428079213 /nfs/dbraw/zinc/07/92/13/1428079213.db2.gz RJWBAWLYVSUOLO-LJQANCHMSA-N -1 1 388.431 3.377 20 30 GGEDMM COc1cccc(C2(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737127609 1428154553 /nfs/dbraw/zinc/15/45/53/1428154553.db2.gz LWYZUEZAUVOSAB-UHFFFAOYSA-N -1 1 388.431 3.197 20 30 GGEDMM CC(C)(C)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824087214 1429810862 /nfs/dbraw/zinc/81/08/62/1429810862.db2.gz RMRQCHOCLPZTOC-UHFFFAOYSA-N -1 1 377.290 3.391 20 30 GGEDMM C=CCN(CCc1ccco1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000823909602 1429817371 /nfs/dbraw/zinc/81/73/71/1429817371.db2.gz KVIVIMOMFJHKQE-UHFFFAOYSA-N -1 1 388.269 3.453 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000824173419 1429822905 /nfs/dbraw/zinc/82/29/05/1429822905.db2.gz YHYZEXGCZNFWQT-MRXNPFEDSA-N -1 1 396.838 3.059 20 30 GGEDMM N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180389334 1429854028 /nfs/dbraw/zinc/85/40/28/1429854028.db2.gz SXVUWBRXHIEOMV-UHFFFAOYSA-N -1 1 393.340 3.384 20 30 GGEDMM Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000180423746 1429865500 /nfs/dbraw/zinc/86/55/00/1429865500.db2.gz JYUXIEBRTWEITM-UHFFFAOYSA-N -1 1 380.429 3.248 20 30 GGEDMM Clc1cccc(N2CCCC2)c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826353525 1429956597 /nfs/dbraw/zinc/95/65/97/1429956597.db2.gz STYHEXQLJBDXBT-UHFFFAOYSA-N -1 1 381.871 3.244 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822802011 1429980434 /nfs/dbraw/zinc/98/04/34/1429980434.db2.gz UDVHBXVOTBOKHI-DLBZAZTESA-N -1 1 375.392 3.051 20 30 GGEDMM Cn1c(Cl)nc(Cl)c1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822600701 1430005015 /nfs/dbraw/zinc/00/50/15/1430005015.db2.gz PXUZZDJIUXEGKV-VQHVLOKHSA-N -1 1 375.219 3.120 20 30 GGEDMM C[C@@H](C#N)CN(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735506434 1430015578 /nfs/dbraw/zinc/01/55/78/1430015578.db2.gz WSEUGBVUECAAPO-ZDUSSCGKSA-N -1 1 377.408 3.282 20 30 GGEDMM CCN(C(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361686 1430024757 /nfs/dbraw/zinc/02/47/57/1430024757.db2.gz HGVBIUYNDHYKAO-GFCCVEGCSA-N -1 1 396.838 3.212 20 30 GGEDMM O=C1c2cc(Br)ccc2OC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823504251 1430033198 /nfs/dbraw/zinc/03/31/98/1430033198.db2.gz NUCYOZUOAHVLFD-LFYBBSHMSA-N -1 1 375.207 3.307 20 30 GGEDMM C=CCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734991 1430070543 /nfs/dbraw/zinc/07/05/43/1430070543.db2.gz YKYHUGBWJVWCEU-DNVCBOLYSA-N -1 1 377.448 3.458 20 30 GGEDMM N#Cc1ccc(NCCCCCCCNc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC000822830097 1430079454 /nfs/dbraw/zinc/07/94/54/1430079454.db2.gz UPVULENDKMPTLY-UHFFFAOYSA-N -1 1 377.456 3.003 20 30 GGEDMM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000822922739 1430105040 /nfs/dbraw/zinc/10/50/40/1430105040.db2.gz IYSJMALSYZKBTM-CMDGGOBGSA-N -1 1 378.342 3.431 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000826245982 1430107915 /nfs/dbraw/zinc/10/79/15/1430107915.db2.gz NWUYWEZQXDMHBH-CQSZACIVSA-N -1 1 387.230 3.477 20 30 GGEDMM C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824706956 1430118001 /nfs/dbraw/zinc/11/80/01/1430118001.db2.gz MNYDDLWVGRLCJR-CYBMUJFWSA-N -1 1 377.404 3.200 20 30 GGEDMM N#Cc1cccc(OCCCSCCOc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822837382 1430140716 /nfs/dbraw/zinc/14/07/16/1430140716.db2.gz LYSBSSXNLSSXHD-UHFFFAOYSA-N -1 1 381.461 3.319 20 30 GGEDMM COc1ccc(C=CC(=O)c2cnn(Cc3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000821786240 1430147684 /nfs/dbraw/zinc/14/76/84/1430147684.db2.gz BZXYORTXNLMBNF-VQHVLOKHSA-N -1 1 386.415 3.016 20 30 GGEDMM C[C@@H](NC(=O)NCC(C)(C)C#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824499061 1430162516 /nfs/dbraw/zinc/16/25/16/1430162516.db2.gz NEVXYJJHVXQECG-CQSZACIVSA-N -1 1 389.463 3.444 20 30 GGEDMM C=CCC[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819734189 1430192858 /nfs/dbraw/zinc/19/28/58/1430192858.db2.gz JVAUOOMVJCFXBY-QAPCUYQASA-N -1 1 377.448 3.458 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccc(OC(C)C)c(OC)c1 ZINC000826173021 1430193660 /nfs/dbraw/zinc/19/36/60/1430193660.db2.gz JNCCFDCJKFQWBF-UHFFFAOYSA-N -1 1 397.435 3.222 20 30 GGEDMM C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819743709 1430211323 /nfs/dbraw/zinc/21/13/23/1430211323.db2.gz OWBNCFAQUWNPAW-INIZCTEOSA-N -1 1 376.464 3.368 20 30 GGEDMM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)(C)C#N ZINC000824721600 1430212728 /nfs/dbraw/zinc/21/27/28/1430212728.db2.gz BWNWDCVJQVGUEG-GFCCVEGCSA-N -1 1 378.392 3.149 20 30 GGEDMM CC(C)Cn1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000181494690 1430310420 /nfs/dbraw/zinc/31/04/20/1430310420.db2.gz IVDPJZJXKUQYJY-CQSZACIVSA-N -1 1 395.488 3.206 20 30 GGEDMM COCCCN1Cc2cccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)c2C1 ZINC000182017316 1430397212 /nfs/dbraw/zinc/39/72/12/1430397212.db2.gz QZCBTIXIANIKBL-UHFFFAOYSA-N -1 1 385.489 3.020 20 30 GGEDMM CC[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000183852051 1430804823 /nfs/dbraw/zinc/80/48/23/1430804823.db2.gz KRBGMFONHAHKST-CYBMUJFWSA-N -1 1 393.415 3.188 20 30 GGEDMM CC[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000183852291 1430805210 /nfs/dbraw/zinc/80/52/10/1430805210.db2.gz PCGIRLGLMTYJNO-HNNXBMFYSA-N -1 1 389.452 3.357 20 30 GGEDMM CC[C@@H](CC#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000183913729 1430812460 /nfs/dbraw/zinc/81/24/60/1430812460.db2.gz CEURVZIXPWPNGW-INIZCTEOSA-N -1 1 389.452 3.357 20 30 GGEDMM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1nnc2n1CCCCC2 ZINC000184292066 1430868997 /nfs/dbraw/zinc/86/89/97/1430868997.db2.gz UQBVRTHKXHVAAB-NSHDSACASA-N -1 1 382.374 3.163 20 30 GGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1 ZINC000184881322 1431011312 /nfs/dbraw/zinc/01/13/12/1431011312.db2.gz HHLIKFARJZMDSR-HNNXBMFYSA-N -1 1 375.421 3.023 20 30 GGEDMM Cc1c(=O)[n-]c(SCC(=O)Nc2cccc(C#N)c2)nc1-c1ccccc1 ZINC000185053573 1431050265 /nfs/dbraw/zinc/05/02/65/1431050265.db2.gz KGPXKKBCQRCGMX-UHFFFAOYSA-N -1 1 376.441 3.348 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1noc(-c2ccccc2)n1 ZINC000185191474 1431081191 /nfs/dbraw/zinc/08/11/91/1431081191.db2.gz JMELSEMWABFQKS-LLVKDONJSA-N -1 1 388.836 3.301 20 30 GGEDMM C#C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000185334017 1431117743 /nfs/dbraw/zinc/11/77/43/1431117743.db2.gz BSZKWIIPHHSDIP-GFCCVEGCSA-N -1 1 396.390 3.258 20 30 GGEDMM CCOc1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc(Cl)c1[O-] ZINC000186813071 1431524884 /nfs/dbraw/zinc/52/48/84/1431524884.db2.gz KUFRAUYFKPNDCW-QGZVFWFLSA-N -1 1 399.878 3.294 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)c1 ZINC000187074832 1431606172 /nfs/dbraw/zinc/60/61/72/1431606172.db2.gz GGTLTQOLTKWSTG-UHFFFAOYSA-N -1 1 381.457 3.048 20 30 GGEDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1[N+](=O)[O-] ZINC000187250170 1431665781 /nfs/dbraw/zinc/66/57/81/1431665781.db2.gz BFEUWQXIKCPFFE-UHFFFAOYSA-N -1 1 393.396 3.344 20 30 GGEDMM N#Cc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1[O-] ZINC000187685600 1431799674 /nfs/dbraw/zinc/79/96/74/1431799674.db2.gz QNPIIIKIZBJUNM-UHFFFAOYSA-N -1 1 395.422 3.442 20 30 GGEDMM Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000187983476 1431833436 /nfs/dbraw/zinc/83/34/36/1431833436.db2.gz RGVPMWKYPVZXDA-INIZCTEOSA-N -1 1 392.459 3.246 20 30 GGEDMM CC[C@@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000188058404 1431840975 /nfs/dbraw/zinc/84/09/75/1431840975.db2.gz LGCPVLHGLNRTGF-INIZCTEOSA-N -1 1 376.409 3.476 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1[O-] ZINC000188372807 1431878250 /nfs/dbraw/zinc/87/82/50/1431878250.db2.gz LKGJPBJHLATOAI-HXUWFJFHSA-N -1 1 385.423 3.244 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)cc1[O-] ZINC000188410760 1431881817 /nfs/dbraw/zinc/88/18/17/1431881817.db2.gz BHFCOGTWMNDIKP-UHFFFAOYSA-N -1 1 388.345 3.416 20 30 GGEDMM N#Cc1ccc(C(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)cc1[O-] ZINC000188532238 1431892482 /nfs/dbraw/zinc/89/24/82/1431892482.db2.gz VLBRUXKGWPNEGH-UHFFFAOYSA-N -1 1 385.729 3.140 20 30 GGEDMM COc1cc2[nH]c(CCCNC(=O)c3ccc(C#N)c([O-])c3)cc2c(OC)c1 ZINC000188661491 1431924428 /nfs/dbraw/zinc/92/44/28/1431924428.db2.gz OZKWBGRBLFTJIP-UHFFFAOYSA-N -1 1 379.416 3.125 20 30 GGEDMM CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188935429 1432012059 /nfs/dbraw/zinc/01/20/59/1432012059.db2.gz JKIZPEJTFRYACZ-UHFFFAOYSA-N -1 1 397.500 3.482 20 30 GGEDMM COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)c(F)c1 ZINC000188951032 1432015407 /nfs/dbraw/zinc/01/54/07/1432015407.db2.gz ACVFIMAADRIOLK-OAHLLOKOSA-N -1 1 376.771 3.091 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1[O-] ZINC000189177634 1432058493 /nfs/dbraw/zinc/05/84/93/1432058493.db2.gz LNTDPPRPODDAFI-HNNXBMFYSA-N -1 1 390.226 3.106 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1[O-] ZINC000189200371 1432061930 /nfs/dbraw/zinc/06/19/30/1432061930.db2.gz ZSRZZAGYHHBGPU-KRWDZBQOSA-N -1 1 376.334 3.496 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1[O-] ZINC000189200392 1432061994 /nfs/dbraw/zinc/06/19/94/1432061994.db2.gz ZSRZZAGYHHBGPU-QGZVFWFLSA-N -1 1 376.334 3.496 20 30 GGEDMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000190147776 1432328082 /nfs/dbraw/zinc/32/80/82/1432328082.db2.gz URRPVDICXTZQPV-UHFFFAOYSA-N -1 1 383.473 3.116 20 30 GGEDMM Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccc(C#N)c([O-])c3)c2)cc1 ZINC000190639788 1432429109 /nfs/dbraw/zinc/42/91/09/1432429109.db2.gz FQDORHOTLKMAJY-UHFFFAOYSA-N -1 1 399.450 3.432 20 30 GGEDMM C=CCN(CCOC)C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-] ZINC000191973273 1432772128 /nfs/dbraw/zinc/77/21/28/1432772128.db2.gz FFWJVBAWGOPHDY-UHFFFAOYSA-N -1 1 390.386 3.197 20 30 GGEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000194413621 1433174167 /nfs/dbraw/zinc/17/41/67/1433174167.db2.gz VXMHIRGHLYRUFL-UHFFFAOYSA-N -1 1 387.443 3.123 20 30 GGEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Br)cs1 ZINC000194589192 1433202364 /nfs/dbraw/zinc/20/23/64/1433202364.db2.gz HDFQFRGMTBPTAL-JTQLQIEISA-N -1 1 379.235 3.480 20 30 GGEDMM C[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000194744958 1433223401 /nfs/dbraw/zinc/22/34/01/1433223401.db2.gz XXSYMFCMKZKDMS-LLVKDONJSA-N -1 1 395.843 3.312 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C(=O)N(C)C(C)C ZINC000195343659 1433321052 /nfs/dbraw/zinc/32/10/52/1433321052.db2.gz LCYHMUFYQKMJAZ-UHFFFAOYSA-N -1 1 385.489 3.456 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cn1 ZINC000195443046 1433330010 /nfs/dbraw/zinc/33/00/10/1433330010.db2.gz IDMUAKHCOMJDQH-UHFFFAOYSA-N -1 1 393.403 3.436 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000195471686 1433334150 /nfs/dbraw/zinc/33/41/50/1433334150.db2.gz APYCIDAXXAZNFW-UHFFFAOYSA-N -1 1 389.459 3.047 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000195472278 1433334203 /nfs/dbraw/zinc/33/42/03/1433334203.db2.gz LRBCCJPZHDAYIP-UHFFFAOYSA-N -1 1 377.448 3.424 20 30 GGEDMM O=C(NCC#Cc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000247359203 1433712425 /nfs/dbraw/zinc/71/24/25/1433712425.db2.gz DOBNEVVMMIESIP-UHFFFAOYSA-N -1 1 390.464 3.269 20 30 GGEDMM O=C(NCC#Cc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000247396017 1433716059 /nfs/dbraw/zinc/71/60/59/1433716059.db2.gz MGYQGWFPDPVFII-UHFFFAOYSA-N -1 1 390.464 3.269 20 30 GGEDMM N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000247657401 1433744406 /nfs/dbraw/zinc/74/44/06/1433744406.db2.gz QGVNFBBBVLZACP-UHFFFAOYSA-N -1 1 391.452 3.289 20 30 GGEDMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000255391849 1433882105 /nfs/dbraw/zinc/88/21/05/1433882105.db2.gz RCARLNLRTLNWMS-OLHLWXQYSA-N -1 1 384.819 3.371 20 30 GGEDMM CSc1nc(C)c(CCC(=O)Nc2cc(C#N)ccc2OC(F)F)c(=O)[n-]1 ZINC000263940505 1434051194 /nfs/dbraw/zinc/05/11/94/1434051194.db2.gz KJADSKFBQNSZCZ-UHFFFAOYSA-N -1 1 394.403 3.257 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)[C@@H](C)CC#N)c2)cc1F ZINC000264009309 1434061468 /nfs/dbraw/zinc/06/14/68/1434061468.db2.gz ADFZNLDAARYXGZ-AWEZNQCLSA-N -1 1 389.452 3.309 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000264503389 1434121056 /nfs/dbraw/zinc/12/10/56/1434121056.db2.gz NQUUZDFBNMSORU-LBPRGKRZSA-N -1 1 393.490 3.176 20 30 GGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000265950697 1434287556 /nfs/dbraw/zinc/28/75/56/1434287556.db2.gz VEKDTXHJCSXUHN-UHFFFAOYSA-N -1 1 385.445 3.245 20 30 GGEDMM CCN(CCC#N)C(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000267410429 1434430209 /nfs/dbraw/zinc/43/02/09/1434430209.db2.gz RMKMWSXLEIPNSH-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM CCOC(=O)Nc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1C#N ZINC000269819268 1434678369 /nfs/dbraw/zinc/67/83/69/1434678369.db2.gz WWYQOFAUMGEPAN-UHFFFAOYSA-N -1 1 397.435 3.481 20 30 GGEDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc1 ZINC000276573765 1435218338 /nfs/dbraw/zinc/21/83/38/1435218338.db2.gz SFAQKJXOINJDJU-AWEZNQCLSA-N -1 1 392.502 3.298 20 30 GGEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000277612205 1435316458 /nfs/dbraw/zinc/31/64/58/1435316458.db2.gz VHZCCLWARXRDRZ-KRWDZBQOSA-N -1 1 379.464 3.026 20 30 GGEDMM C=CCC[C@@H](C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1)c1ccccc1 ZINC000277794008 1435331126 /nfs/dbraw/zinc/33/11/26/1435331126.db2.gz SUWIGHZUQVCNED-GOSISDBHSA-N -1 1 396.491 3.437 20 30 GGEDMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)n1 ZINC000278592898 1435403347 /nfs/dbraw/zinc/40/33/47/1435403347.db2.gz HCLKUWASBVGIBB-LLVKDONJSA-N -1 1 390.490 3.321 20 30 GGEDMM C#CCOc1ccc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)cc1OCC ZINC000278769829 1435421769 /nfs/dbraw/zinc/42/17/69/1435421769.db2.gz NPJIRRKNVPXBCO-SDNWHVSQSA-N -1 1 382.416 3.330 20 30 GGEDMM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2)CC1 ZINC000279878066 1435556974 /nfs/dbraw/zinc/55/69/74/1435556974.db2.gz HCHWLQKRYMKKFS-UHFFFAOYSA-N -1 1 397.500 3.426 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000279898990 1435559844 /nfs/dbraw/zinc/55/98/44/1435559844.db2.gz ISYHSYHWHRVMTJ-RTBURBONSA-N -1 1 386.473 3.236 20 30 GGEDMM Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1OC1CCOCC1 ZINC000279926945 1435564248 /nfs/dbraw/zinc/56/42/48/1435564248.db2.gz LCGQWEHVHXWNMU-UHFFFAOYSA-N -1 1 386.473 3.420 20 30 GGEDMM CCOCCOCc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1C ZINC000279951411 1435568385 /nfs/dbraw/zinc/56/83/85/1435568385.db2.gz NEJGLKFLQNDUMF-UHFFFAOYSA-N -1 1 388.489 3.415 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCC2)cc1 ZINC000279959905 1435569850 /nfs/dbraw/zinc/56/98/50/1435569850.db2.gz NVPJXALCISYRLK-UHFFFAOYSA-N -1 1 383.473 3.226 20 30 GGEDMM Cc1cc(C(=O)NCC(C)C)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000279969396 1435570905 /nfs/dbraw/zinc/57/09/05/1435570905.db2.gz ORXKLTYEJMMOQQ-UHFFFAOYSA-N -1 1 385.489 3.248 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C(=O)N(C)C(C)C ZINC000279971370 1435570982 /nfs/dbraw/zinc/57/09/82/1435570982.db2.gz OZEWOWCZIRPXPJ-UHFFFAOYSA-N -1 1 385.489 3.342 20 30 GGEDMM C=CCOc1cccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000281276542 1435801956 /nfs/dbraw/zinc/80/19/56/1435801956.db2.gz GHZGPHRWTOCUKG-UHFFFAOYSA-N -1 1 385.386 3.174 20 30 GGEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2cc(Br)ccc21 ZINC000826475695 1441469375 /nfs/dbraw/zinc/46/93/75/1441469375.db2.gz NRGBBJLYGLUQGY-VMPITWQZSA-N -1 1 389.234 3.349 20 30 GGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000822921923 1441475606 /nfs/dbraw/zinc/47/56/06/1441475606.db2.gz AJBDKOCQFFCQCT-YFHOEESVSA-N -1 1 377.379 3.029 20 30 GGEDMM CC(C[C@@H](C)NC(=O)OC(C)(C)C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000824390767 1441483437 /nfs/dbraw/zinc/48/34/37/1441483437.db2.gz DESKWQNOGMFSKK-SNVBAGLBSA-N -1 1 392.464 3.069 20 30 GGEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819743827 1441497084 /nfs/dbraw/zinc/49/70/84/1441497084.db2.gz QLPILULGEWFJLZ-UHFFFAOYSA-N -1 1 395.275 3.458 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000822145308 1441501837 /nfs/dbraw/zinc/50/18/37/1441501837.db2.gz QFWGLTWHOUXDNB-SJLPKXTDSA-N -1 1 388.431 3.390 20 30 GGEDMM CC(C)N(CCC#N)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735859070 1441528638 /nfs/dbraw/zinc/52/86/38/1441528638.db2.gz NTPJKXNYUPXQSF-UHFFFAOYSA-N -1 1 390.447 3.210 20 30 GGEDMM Cc1cc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)ccc1O ZINC000826256871 1441553784 /nfs/dbraw/zinc/55/37/84/1441553784.db2.gz DMKXFCYOITZNOO-CSKARUKUSA-N -1 1 386.415 3.177 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000819745734 1441559944 /nfs/dbraw/zinc/55/99/44/1441559944.db2.gz QLPPBJBMCSJTMG-UZLBHIALSA-N -1 1 388.475 3.032 20 30 GGEDMM COc1ccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1C#N ZINC000826208064 1441565520 /nfs/dbraw/zinc/56/55/20/1441565520.db2.gz QZYPRAAQQNARCJ-UHFFFAOYSA-N -1 1 378.461 3.313 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2nc3ccc(Cl)cc3n2C)o1 ZINC000824280320 1441570597 /nfs/dbraw/zinc/57/05/97/1441570597.db2.gz JVAHCTTZWPAIIC-UHFFFAOYSA-N -1 1 399.846 3.039 20 30 GGEDMM Cc1cc(C(=O)OCCC(C)(C)C#N)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826261037 1441618428 /nfs/dbraw/zinc/61/84/28/1441618428.db2.gz ONXRZLCVEYPTIC-UHFFFAOYSA-N -1 1 378.436 3.371 20 30 GGEDMM C=CCN(C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1)C1CC1 ZINC000823903693 1441624774 /nfs/dbraw/zinc/62/47/74/1441624774.db2.gz HMKMRMQPGKRIIF-UHFFFAOYSA-N -1 1 380.477 3.455 20 30 GGEDMM Cc1c(C(=O)C=Cc2nccn2Cc2ccccc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202101 1441637979 /nfs/dbraw/zinc/63/79/79/1441637979.db2.gz JMPVXDHVCGTEIB-KTKRTIGZSA-N -1 1 399.458 3.064 20 30 GGEDMM CSCCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737180132 1441638658 /nfs/dbraw/zinc/63/86/58/1441638658.db2.gz BZQQBFBTHHLANA-ZDUSSCGKSA-N -1 1 384.490 3.310 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000820031137 1441643665 /nfs/dbraw/zinc/64/36/65/1441643665.db2.gz AILJRZKWXFEOHM-KRWDZBQOSA-N -1 1 396.838 3.434 20 30 GGEDMM C#CCOc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@H](C)C3)cc1 ZINC000735381776 1441683577 /nfs/dbraw/zinc/68/35/77/1441683577.db2.gz ZRNLJCUCGKFCQE-LBPRGKRZSA-N -1 1 393.472 3.317 20 30 GGEDMM N#Cc1ccc(Cl)cc1NC(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822826454 1441691251 /nfs/dbraw/zinc/69/12/51/1441691251.db2.gz ZCZCXUSTYHRJSF-UHFFFAOYSA-N -1 1 389.202 3.063 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(OC)c(OC)c1OC ZINC000823914174 1441692753 /nfs/dbraw/zinc/69/27/53/1441692753.db2.gz CGKYGRWSUKHTSE-UHFFFAOYSA-N -1 1 395.463 3.081 20 30 GGEDMM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000736190612 1441711295 /nfs/dbraw/zinc/71/12/95/1441711295.db2.gz GABLYHRXPCOOPD-ZDUSSCGKSA-N -1 1 396.451 3.433 20 30 GGEDMM Cn1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(-c2ccccc2)n1 ZINC000826360389 1441747315 /nfs/dbraw/zinc/74/73/15/1441747315.db2.gz ITXSIJGHZXRDAN-UHFFFAOYSA-N -1 1 378.827 3.367 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000823958118 1441748030 /nfs/dbraw/zinc/74/80/30/1441748030.db2.gz CTEWEEZHXOSZIM-UHFFFAOYSA-N -1 1 381.827 3.241 20 30 GGEDMM COc1ccc(CCCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737088512 1441748786 /nfs/dbraw/zinc/74/87/86/1441748786.db2.gz MSGZXNNGYYOPSU-UHFFFAOYSA-N -1 1 390.447 3.489 20 30 GGEDMM Cc1cccc(-c2n[nH]cc2CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC000826295414 1441762937 /nfs/dbraw/zinc/76/29/37/1441762937.db2.gz GHSBEUNZOQHGGY-UHFFFAOYSA-N -1 1 377.412 3.123 20 30 GGEDMM N#CCc1ccc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000826382882 1441781110 /nfs/dbraw/zinc/78/11/10/1441781110.db2.gz YYGMEIOVWCXMKA-UHFFFAOYSA-N -1 1 387.321 3.309 20 30 GGEDMM C=CCOc1ccccc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000735435864 1441795753 /nfs/dbraw/zinc/79/57/53/1441795753.db2.gz AHXIBTSOYQQUDK-ZHACJKMWSA-N -1 1 375.432 3.384 20 30 GGEDMM N#Cc1ccc(CN2CCCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)cc1 ZINC000737712859 1441856391 /nfs/dbraw/zinc/85/63/91/1441856391.db2.gz WNJJOAXYMTUHQO-UHFFFAOYSA-N -1 1 393.882 3.104 20 30 GGEDMM N#Cc1ccc(CN2CCCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000737712859 1441856394 /nfs/dbraw/zinc/85/63/94/1441856394.db2.gz WNJJOAXYMTUHQO-UHFFFAOYSA-N -1 1 393.882 3.104 20 30 GGEDMM COc1cccc(C=CC(=O)c2cnn(-c3ccc(-c4nnn[n-]4)cc3)c2C)c1 ZINC000737130764 1441872481 /nfs/dbraw/zinc/87/24/81/1441872481.db2.gz RKEQXWNPPSDRIL-WDZFZDKYSA-N -1 1 386.415 3.266 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ncoc2-c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737718321 1441908602 /nfs/dbraw/zinc/90/86/02/1441908602.db2.gz HSOKGXZFXMTEJN-UHFFFAOYSA-N -1 1 391.778 3.299 20 30 GGEDMM N#Cc1cccc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826386587 1441909157 /nfs/dbraw/zinc/90/91/57/1441909157.db2.gz KWNNGEVVCYGWLS-UHFFFAOYSA-N -1 1 380.411 3.335 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1-c1nnn[n-]1 ZINC000822829722 1441919690 /nfs/dbraw/zinc/91/96/90/1441919690.db2.gz GEUJKYVNNGEWEF-UHFFFAOYSA-N -1 1 376.273 3.149 20 30 GGEDMM Cc1oc(-c2ccsc2)nc1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000737548825 1441954348 /nfs/dbraw/zinc/95/43/48/1441954348.db2.gz SEPDYMZNBPAHBF-UHFFFAOYSA-N -1 1 396.461 3.033 20 30 GGEDMM N#CCc1cccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826382835 1441991609 /nfs/dbraw/zinc/99/16/09/1441991609.db2.gz XFCJUIPOGGMHFL-UHFFFAOYSA-N -1 1 398.220 3.052 20 30 GGEDMM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)(C)C#N ZINC000824721602 1442001542 /nfs/dbraw/zinc/00/15/42/1442001542.db2.gz BWNWDCVJQVGUEG-LBPRGKRZSA-N -1 1 378.392 3.149 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nnn1-c1ccc(C)cc1 ZINC000826281077 1442004483 /nfs/dbraw/zinc/00/44/83/1442004483.db2.gz CNJRPDLJVFOSIN-UXBLZVDNSA-N -1 1 389.394 3.099 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000823953529 1442024097 /nfs/dbraw/zinc/02/40/97/1442024097.db2.gz FCHAENKXJXLMNG-UHFFFAOYSA-N -1 1 376.251 3.270 20 30 GGEDMM C#CCOc1ccc([C@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735381375 1442042557 /nfs/dbraw/zinc/04/25/57/1442042557.db2.gz VDPBGNODBNHLLF-HNNXBMFYSA-N -1 1 376.416 3.116 20 30 GGEDMM Cc1c(C(=O)C=Cc2cnn(Cc3ccccc3)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202339 1442042623 /nfs/dbraw/zinc/04/26/23/1442042623.db2.gz LMCHXMXRGUCXLV-MDZDMXLPSA-N -1 1 399.458 3.064 20 30 GGEDMM C=C(C)COc1cc(CNCc2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000735402051 1442072061 /nfs/dbraw/zinc/07/20/61/1442072061.db2.gz GLUJPCSEEZJBDL-UHFFFAOYSA-N -1 1 383.427 3.259 20 30 GGEDMM COc1cc(C#N)cc(Br)c1OCc1cccc(-c2nnn[n-]2)c1 ZINC000826177006 1442073125 /nfs/dbraw/zinc/07/31/25/1442073125.db2.gz NQXIPYJVZVLLDI-UHFFFAOYSA-N -1 1 386.209 3.088 20 30 GGEDMM C=CCOCCCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000819759525 1442082126 /nfs/dbraw/zinc/08/21/26/1442082126.db2.gz YSBAVQAZBRSXHZ-UHFFFAOYSA-N -1 1 394.435 3.284 20 30 GGEDMM CC[C@@H]1CC[C@H](C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)O1 ZINC000820971477 1442133025 /nfs/dbraw/zinc/13/30/25/1442133025.db2.gz CNDVBAPQWLSCLU-IJEWVQPXSA-N -1 1 394.460 3.124 20 30 GGEDMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822540453 1442190889 /nfs/dbraw/zinc/19/08/89/1442190889.db2.gz BBYBYZVKJKJYHH-LBPRGKRZSA-N -1 1 388.387 3.349 20 30 GGEDMM N#Cc1cc(COC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)ccn1 ZINC000822818888 1442191033 /nfs/dbraw/zinc/19/10/33/1442191033.db2.gz IKAJLZWENHIEMB-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000819743884 1442220308 /nfs/dbraw/zinc/22/03/08/1442220308.db2.gz SCDQVCZRBMFMBQ-GOSISDBHSA-N -1 1 396.495 3.056 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822802260 1442224983 /nfs/dbraw/zinc/22/49/83/1442224983.db2.gz YFZWIHQXJWLXBM-MOPGFXCFSA-N -1 1 383.459 3.391 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822802260 1442224987 /nfs/dbraw/zinc/22/49/87/1442224987.db2.gz YFZWIHQXJWLXBM-MOPGFXCFSA-N -1 1 383.459 3.391 20 30 GGEDMM C#CCOc1ccc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cc1 ZINC000735381368 1442241973 /nfs/dbraw/zinc/24/19/73/1442241973.db2.gz UWOMVYFRFRXBQP-UHFFFAOYSA-N -1 1 379.424 3.000 20 30 GGEDMM Cc1c(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822084812 1442262671 /nfs/dbraw/zinc/26/26/71/1442262671.db2.gz PURFFZXWKHYZLB-HKUYNNGSSA-N -1 1 387.447 3.479 20 30 GGEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820017296 1442281483 /nfs/dbraw/zinc/28/14/83/1442281483.db2.gz UZOACZKKWUWZMF-MRXNPFEDSA-N -1 1 378.461 3.296 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736310318 1442349438 /nfs/dbraw/zinc/34/94/38/1442349438.db2.gz XNIIOZIRPYRXAH-AWEZNQCLSA-N -1 1 379.380 3.068 20 30 GGEDMM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000819966190 1442362291 /nfs/dbraw/zinc/36/22/91/1442362291.db2.gz YKNFRRRGXMMZCP-ALCCZGGFSA-N -1 1 379.449 3.144 20 30 GGEDMM CSc1ccc2c(c1)CCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737189737 1442383150 /nfs/dbraw/zinc/38/31/50/1442383150.db2.gz BLBWONHOVCGHJI-MDWZMJQESA-N -1 1 388.456 3.449 20 30 GGEDMM CCOc1ccc(N(CCC#N)C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736644173 1442402117 /nfs/dbraw/zinc/40/21/17/1442402117.db2.gz GLPBKBQOKWNGCT-JYRVWZFOSA-N -1 1 388.431 3.225 20 30 GGEDMM N#CCn1c(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc2ccccc21 ZINC000737697980 1442402549 /nfs/dbraw/zinc/40/25/49/1442402549.db2.gz PGPLLPNKGRZANI-UHFFFAOYSA-N -1 1 397.442 3.150 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(Cl)cc3c2OCC3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234075 1442423872 /nfs/dbraw/zinc/42/38/72/1442423872.db2.gz HHTFCMYYJGSNSH-SNAWJCMRSA-N -1 1 395.850 3.407 20 30 GGEDMM Cc1nc(C)c(C#N)c(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000822427385 1442427108 /nfs/dbraw/zinc/42/71/08/1442427108.db2.gz LQPDUBGXFBBTIW-UHFFFAOYSA-N -1 1 389.391 3.039 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)c(OC)c1 ZINC000823914133 1442430195 /nfs/dbraw/zinc/43/01/95/1442430195.db2.gz AZXJEVABBFVMKM-UHFFFAOYSA-N -1 1 383.839 3.357 20 30 GGEDMM CC(C)c1cccc2c1OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000824352559 1442432553 /nfs/dbraw/zinc/43/25/53/1442432553.db2.gz IMUVEJUVXVZBDY-ZSOIEALJSA-N -1 1 386.415 3.297 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCc1ccc(C#N)cc1C ZINC000826257086 1442453572 /nfs/dbraw/zinc/45/35/72/1442453572.db2.gz MXTAQAHILBMVAI-UHFFFAOYSA-N -1 1 388.387 3.096 20 30 GGEDMM CCO[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C12CCCCC2 ZINC000825577288 1442457319 /nfs/dbraw/zinc/45/73/19/1442457319.db2.gz UZKJNZXPLYDIBI-ZDUSSCGKSA-N -1 1 375.864 3.442 20 30 GGEDMM CC(C)CN(C(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824249339 1442459965 /nfs/dbraw/zinc/45/99/65/1442459965.db2.gz MDJHURGCKZCQLL-UHFFFAOYSA-N -1 1 390.447 3.001 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(OC)ccc1F ZINC000819745654 1442460944 /nfs/dbraw/zinc/46/09/44/1442460944.db2.gz NXRVQEONUILYBB-UHFFFAOYSA-N -1 1 382.399 3.235 20 30 GGEDMM COc1cccc2c1CC(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826217977 1442467854 /nfs/dbraw/zinc/46/78/54/1442467854.db2.gz KFHSSWZKEGJXHJ-GDNBJRDFSA-N -1 1 398.426 3.098 20 30 GGEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000735874500 1443068291 /nfs/dbraw/zinc/06/82/91/1443068291.db2.gz PYRFZEGCSXMFNZ-UHFFFAOYSA-N -1 1 379.399 3.320 20 30 GGEDMM C#CCOc1cccc(NC(=O)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735380154 1443077026 /nfs/dbraw/zinc/07/70/26/1443077026.db2.gz DLQXHDDQQFABLD-UHFFFAOYSA-N -1 1 390.447 3.323 20 30 GGEDMM CC(C)CCN(CCC#N)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820076146 1443079140 /nfs/dbraw/zinc/07/91/40/1443079140.db2.gz CQMZUUNYYHLFDB-UHFFFAOYSA-N -1 1 385.472 3.448 20 30 GGEDMM N#Cc1ccc(Cc2cnc(NC(=O)c3cc(-c4nn[n-]n4)cs3)s2)cc1 ZINC000822825418 1443084116 /nfs/dbraw/zinc/08/41/16/1443084116.db2.gz FDHNRFOEVAGTLD-UHFFFAOYSA-N -1 1 393.457 3.099 20 30 GGEDMM C#CC[C@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1ccccc1 ZINC000823839117 1443112986 /nfs/dbraw/zinc/11/29/86/1443112986.db2.gz ZRHUKURTUKHSDB-KRWDZBQOSA-N -1 1 382.265 3.483 20 30 GGEDMM C=C(C)[C@H](CC(=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)OCC ZINC000823873193 1443122980 /nfs/dbraw/zinc/12/29/80/1443122980.db2.gz JTYDIPSWRXQUKR-HNNXBMFYSA-N -1 1 384.465 3.300 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)c1c(C)noc1C ZINC000735418991 1443149692 /nfs/dbraw/zinc/14/96/92/1443149692.db2.gz NRHSFFHADXNPCB-QGZVFWFLSA-N -1 1 380.452 3.180 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(C2CCC2)n(C)c1=S ZINC000823915502 1443153658 /nfs/dbraw/zinc/15/36/58/1443153658.db2.gz YQLDWCSTCDSMTO-UHFFFAOYSA-N -1 1 396.524 3.044 20 30 GGEDMM c1cc(-c2nnn[n-]2)oc1CN=Nc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000819718992 1443176515 /nfs/dbraw/zinc/17/65/15/1443176515.db2.gz WLEVGEYIILQSRH-UHFFFAOYSA-N -1 1 397.402 3.153 20 30 GGEDMM N#CCCn1cc(C(=O)COc2ccc(-c3nnn[n-]3)cc2F)c2ccccc21 ZINC000822811497 1443178672 /nfs/dbraw/zinc/17/86/72/1443178672.db2.gz ZSCFQXQIXPPRLY-UHFFFAOYSA-N -1 1 390.378 3.136 20 30 GGEDMM N#Cc1ccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1-c1nnn[n-]1 ZINC000737717133 1443180536 /nfs/dbraw/zinc/18/05/36/1443180536.db2.gz ZJZZPUWKSMTPJB-UHFFFAOYSA-N -1 1 377.795 3.054 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ncc(C)s1 ZINC000819743404 1443205396 /nfs/dbraw/zinc/20/53/96/1443205396.db2.gz IJIUFVMHWVNHPU-ZDUSSCGKSA-N -1 1 383.481 3.090 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000735418450 1443220085 /nfs/dbraw/zinc/22/00/85/1443220085.db2.gz DXBAPUMTNDKJCL-CVEARBPZSA-N -1 1 395.413 3.463 20 30 GGEDMM COC[C@@H](C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826147523 1443308131 /nfs/dbraw/zinc/30/81/31/1443308131.db2.gz ACLSTWPQDOWMKZ-CYBMUJFWSA-N -1 1 399.794 3.008 20 30 GGEDMM Fc1cc(Cl)c(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(Cl)c1 ZINC000826372403 1443309524 /nfs/dbraw/zinc/30/95/24/1443309524.db2.gz UPCANMODCIFTHD-UHFFFAOYSA-N -1 1 391.197 3.406 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1C1CCCCC1 ZINC000826260465 1443355125 /nfs/dbraw/zinc/35/51/25/1443355125.db2.gz OZGPQSLTZLIZOM-UHFFFAOYSA-N -1 1 376.424 3.001 20 30 GGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(N2CCCC2=O)cc1 ZINC000822921922 1443380294 /nfs/dbraw/zinc/38/02/94/1443380294.db2.gz AJBDKOCQFFCQCT-JXMROGBWSA-N -1 1 377.379 3.029 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc(C3CC3)nc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737709802 1443392779 /nfs/dbraw/zinc/39/27/79/1443392779.db2.gz QOXOWFIXQFXZAZ-UHFFFAOYSA-N -1 1 381.399 3.416 20 30 GGEDMM C=CCC(CC=C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823888610 1443399104 /nfs/dbraw/zinc/39/91/04/1443399104.db2.gz RRSAFHOEWLEHEF-UHFFFAOYSA-N -1 1 377.242 3.441 20 30 GGEDMM N#Cc1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)c1 ZINC000826385789 1443406072 /nfs/dbraw/zinc/40/60/72/1443406072.db2.gz ALLLLXPYENAIDL-UHFFFAOYSA-N -1 1 382.383 3.363 20 30 GGEDMM N#Cc1ccc(O)c(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c1 ZINC000826385789 1443406073 /nfs/dbraw/zinc/40/60/73/1443406073.db2.gz ALLLLXPYENAIDL-UHFFFAOYSA-N -1 1 382.383 3.363 20 30 GGEDMM N#CCN(C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000822811360 1443432631 /nfs/dbraw/zinc/43/26/31/1443432631.db2.gz XTTNMIGLGWGXCK-UHFFFAOYSA-N -1 1 376.445 3.146 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc(Br)c2)n1 ZINC000826350262 1443451797 /nfs/dbraw/zinc/45/17/97/1443451797.db2.gz OKGJOLIGCDLPLM-UHFFFAOYSA-N -1 1 378.621 3.124 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(NN=Cc2cccc(Br)c2)n1 ZINC000826350262 1443451800 /nfs/dbraw/zinc/45/18/00/1443451800.db2.gz OKGJOLIGCDLPLM-UHFFFAOYSA-N -1 1 378.621 3.124 20 30 GGEDMM C#Cc1cccc(NC(=S)N(CCC)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391133 1443462594 /nfs/dbraw/zinc/46/25/94/1443462594.db2.gz MVGBQRDHEHTNTQ-UHFFFAOYSA-N -1 1 376.489 3.457 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(N2CCOCC2)c1 ZINC000823958519 1443472357 /nfs/dbraw/zinc/47/23/57/1443472357.db2.gz PMAVEIOOOXMFPZ-UHFFFAOYSA-N -1 1 397.870 3.193 20 30 GGEDMM N#CCc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826382023 1443499924 /nfs/dbraw/zinc/49/99/24/1443499924.db2.gz LGCWDDLDEGLLKS-UHFFFAOYSA-N -1 1 384.399 3.373 20 30 GGEDMM C=C(C)COCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819722193 1443510063 /nfs/dbraw/zinc/51/00/63/1443510063.db2.gz BSOQQRPKTCJEHI-UHFFFAOYSA-N -1 1 397.410 3.121 20 30 GGEDMM N#C[C@@H](C(=O)C=Cc1cccnc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379491 1443515906 /nfs/dbraw/zinc/51/59/06/1443515906.db2.gz STRTUIVEPNBGAC-XOYTVWKISA-N -1 1 399.439 3.275 20 30 GGEDMM COc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826219731 1443559936 /nfs/dbraw/zinc/55/99/36/1443559936.db2.gz OMOJUUSBBKFIOY-UHFFFAOYSA-N -1 1 388.225 3.189 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822802230 1443577585 /nfs/dbraw/zinc/57/75/85/1443577585.db2.gz XPDAJCLNOIUNBU-FUHWJXTLSA-N -1 1 391.410 3.309 20 30 GGEDMM N#CC1(NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CCCC1 ZINC000737679451 1443592386 /nfs/dbraw/zinc/59/23/86/1443592386.db2.gz QSFBYFBNLZWXOW-UHFFFAOYSA-N -1 1 388.431 3.012 20 30 GGEDMM COc1ccc(C=C2Cc3c(cccc3Br)C2=O)cc1-c1nnn[n-]1 ZINC000826190456 1443602650 /nfs/dbraw/zinc/60/26/50/1443602650.db2.gz BVKDPFNNMDHZGP-YRNVUSSQSA-N -1 1 397.232 3.460 20 30 GGEDMM C[C@H](NC(=O)c1ccc(C#N)cn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824513594 1443642001 /nfs/dbraw/zinc/64/20/01/1443642001.db2.gz CVQFRJLLKBUOMO-AWEZNQCLSA-N -1 1 395.426 3.291 20 30 GGEDMM C=C(C)[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br)OCC ZINC000823874276 1443670430 /nfs/dbraw/zinc/67/04/30/1443670430.db2.gz UWWXTXYHVUEIOO-CQSZACIVSA-N -1 1 395.257 3.044 20 30 GGEDMM Cc1nnc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(C#N)c1C ZINC000826336742 1443684727 /nfs/dbraw/zinc/68/47/27/1443684727.db2.gz LSFGHSHBWVIYNG-UHFFFAOYSA-N -1 1 382.431 3.424 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2coc(-c3ccccc3)n2)o1 ZINC000824141498 1443686343 /nfs/dbraw/zinc/68/63/43/1443686343.db2.gz IJWLDTQSSVXSIQ-UHFFFAOYSA-N -1 1 378.396 3.253 20 30 GGEDMM CC(C)(C)OC(=O)N[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824108182 1443690707 /nfs/dbraw/zinc/69/07/07/1443690707.db2.gz CGIXEWQHMPQHCY-CYBMUJFWSA-N -1 1 391.863 3.365 20 30 GGEDMM Cn1cc(C=CC(=O)c2cc(F)cc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359504 1443690753 /nfs/dbraw/zinc/69/07/53/1443690753.db2.gz IWAXCQHWIWEBDQ-VOTSOKGWSA-N -1 1 392.369 3.442 20 30 GGEDMM COc1ccccc1C=CC(=O)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737149507 1443723897 /nfs/dbraw/zinc/72/38/97/1443723897.db2.gz XCPCKKKSWNGWFC-FMIVXFBMSA-N -1 1 386.415 3.266 20 30 GGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819899214 1443725171 /nfs/dbraw/zinc/72/51/71/1443725171.db2.gz PIWWPVXRQMNALP-GOSISDBHSA-N -1 1 390.447 3.114 20 30 GGEDMM N#Cc1cccc(-c2csc(NC(=O)c3sccc3-c3nn[n-]n3)n2)c1 ZINC000826386605 1443731280 /nfs/dbraw/zinc/73/12/80/1443731280.db2.gz LQIOZNDGNDLVHD-UHFFFAOYSA-N -1 1 379.430 3.176 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccccc1OC(F)F ZINC000826173060 1443732942 /nfs/dbraw/zinc/73/29/42/1443732942.db2.gz LJBWDOWUIBFZIC-UHFFFAOYSA-N -1 1 375.335 3.027 20 30 GGEDMM CC[C@H](SC)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825159349 1443740202 /nfs/dbraw/zinc/74/02/02/1443740202.db2.gz NVLFIRMIBCQHTO-JSGCOSHPSA-N -1 1 384.490 3.308 20 30 GGEDMM Cc1cccc(-c2n[nH]cc2CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)c1 ZINC000826295524 1443751838 /nfs/dbraw/zinc/75/18/38/1443751838.db2.gz KVIRJUXKYQRIRW-UHFFFAOYSA-N -1 1 391.439 3.198 20 30 GGEDMM C[C@@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820479834 1443753403 /nfs/dbraw/zinc/75/34/03/1443753403.db2.gz CKWVUKONHACKDS-CYBMUJFWSA-N -1 1 377.404 3.200 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCC(C(=O)OC(C)(C)C)CC2)o1 ZINC000824352906 1443754480 /nfs/dbraw/zinc/75/44/80/1443754480.db2.gz REUNJCNLBGSDCE-UHFFFAOYSA-N -1 1 389.460 3.278 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccc(COc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737719485 1443758191 /nfs/dbraw/zinc/75/81/91/1443758191.db2.gz QTABCHFXWYSNHC-UHFFFAOYSA-N -1 1 386.371 3.163 20 30 GGEDMM CC[C@@H](C#N)Oc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1OC ZINC000736308190 1443768589 /nfs/dbraw/zinc/76/85/89/1443768589.db2.gz AKJGHMDCLCXQJG-LBPRGKRZSA-N -1 1 399.842 3.217 20 30 GGEDMM C=CC[C@@H](NC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000735409391 1443825540 /nfs/dbraw/zinc/82/55/40/1443825540.db2.gz DVHCAHYGHXMYCS-LJQANCHMSA-N -1 1 389.463 3.277 20 30 GGEDMM CC(C)(C)c1cc(NC(=O)Cc2cccc(OCC#N)c2)c(-c2nnn[n-]2)s1 ZINC000824131185 1443844958 /nfs/dbraw/zinc/84/49/58/1443844958.db2.gz WNUOIVHOHMBNAS-UHFFFAOYSA-N -1 1 396.476 3.309 20 30 GGEDMM COc1cc(-c2nnn[n-]2)cc(Br)c1OCCCC(C)(C)C#N ZINC000821699347 1443857837 /nfs/dbraw/zinc/85/78/37/1443857837.db2.gz MZEGRZJVIOLICI-UHFFFAOYSA-N -1 1 380.246 3.347 20 30 GGEDMM COc1ccc(C=C2SC(=Nc3ccccc3C)NC2=O)cc1-c1nnn[n-]1 ZINC000737082083 1443891115 /nfs/dbraw/zinc/89/11/15/1443891115.db2.gz HZUZEOWCKFNBHP-MHWRWJLKSA-N -1 1 392.444 3.075 20 30 GGEDMM C#CCSCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735388020 1443893672 /nfs/dbraw/zinc/89/36/72/1443893672.db2.gz PCKICXWSSZMHBK-UHFFFAOYSA-N -1 1 394.460 3.147 20 30 GGEDMM CCOC(=O)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000821343273 1443897811 /nfs/dbraw/zinc/89/78/11/1443897811.db2.gz MWNLQDQWRIKYSR-UHFFFAOYSA-N -1 1 394.313 3.101 20 30 GGEDMM CCOC(=O)c1ccc(CN=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000821343273 1443897813 /nfs/dbraw/zinc/89/78/13/1443897813.db2.gz MWNLQDQWRIKYSR-UHFFFAOYSA-N -1 1 394.313 3.101 20 30 GGEDMM CC(=O)Nc1ccsc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735487883 1443918264 /nfs/dbraw/zinc/91/82/64/1443918264.db2.gz AFAUFKIPYWCJQP-UHFFFAOYSA-N -1 1 395.370 3.351 20 30 GGEDMM CC(C)(C)OC(=O)N[C@H]1CCCCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824109633 1443918921 /nfs/dbraw/zinc/91/89/21/1443918921.db2.gz ULIFSHDRQNNBCG-HNNXBMFYSA-N -1 1 385.472 3.492 20 30 GGEDMM Cc1c(C(C)N=Nc2cccc(F)c2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000819782306 1443924289 /nfs/dbraw/zinc/92/42/89/1443924289.db2.gz LJKNGXXTUBVYEE-UHFFFAOYSA-N -1 1 394.389 3.475 20 30 GGEDMM N#Cc1cccc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737730222 1443972611 /nfs/dbraw/zinc/97/26/11/1443972611.db2.gz HNFSBTJMXVKLNI-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM CC(C)Oc1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000820174297 1443972786 /nfs/dbraw/zinc/97/27/86/1443972786.db2.gz QWCSNYAYCJKUDN-UHFFFAOYSA-N -1 1 379.449 3.334 20 30 GGEDMM CC(C)C[C@@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735756670 1443985313 /nfs/dbraw/zinc/98/53/13/1443985313.db2.gz PNXXSSJQLWFZOK-AWEZNQCLSA-N -1 1 394.410 3.466 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)nc1 ZINC000737712253 1446095213 /nfs/dbraw/zinc/09/52/13/1446095213.db2.gz OZIIOEQOUYYVFI-UHFFFAOYSA-N -1 1 379.449 3.106 20 30 GGEDMM C=CCSCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823937176 1446104055 /nfs/dbraw/zinc/10/40/55/1446104055.db2.gz LCAFSXZNJKPBER-UHFFFAOYSA-N -1 1 394.504 3.252 20 30 GGEDMM C=C(C)Cn1c(SCc2ccc(-c3nnn[n-]3)cc2)nnc1-c1ccncc1 ZINC000819722423 1446153726 /nfs/dbraw/zinc/15/37/26/1446153726.db2.gz IZFIXYNVVGUBBO-UHFFFAOYSA-N -1 1 390.476 3.389 20 30 GGEDMM CC(C)(C)Sc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccn1 ZINC000824124549 1446158705 /nfs/dbraw/zinc/15/87/05/1446158705.db2.gz VEBIRKQSKJLHEM-UHFFFAOYSA-N -1 1 379.449 3.276 20 30 GGEDMM C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccccc1F ZINC000823937114 1446179862 /nfs/dbraw/zinc/17/98/62/1446179862.db2.gz IKXNXPILMDCNBR-UHFFFAOYSA-N -1 1 394.439 3.138 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc3c(c(Cl)c2)OCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201713 1446183065 /nfs/dbraw/zinc/18/30/65/1446183065.db2.gz HVVXWSWSDXCYOZ-PLNGDYQASA-N -1 1 397.822 3.201 20 30 GGEDMM C=C(C)COc1cccc(N[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402603 1446204921 /nfs/dbraw/zinc/20/49/21/1446204921.db2.gz YRDUJQZHULBTIP-SFHVURJKSA-N -1 1 379.420 3.148 20 30 GGEDMM N#C[C@@H](C(=O)C[C@@H]1CCCCO1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822802257 1446209806 /nfs/dbraw/zinc/20/98/06/1446209806.db2.gz YFPMEVFKUXQPCZ-GJZGRUSLSA-N -1 1 394.460 3.126 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N2CCC(C#N)CC2)cc1 ZINC000822136996 1446238532 /nfs/dbraw/zinc/23/85/32/1446238532.db2.gz SSSRQUJEVAUILC-UHFFFAOYSA-N -1 1 388.431 3.343 20 30 GGEDMM C=C[C@@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC000823883132 1446259974 /nfs/dbraw/zinc/25/99/74/1446259974.db2.gz JTHNQGHYOUCUPD-OXJNMPFZSA-N -1 1 389.459 3.127 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCOc3cc4c(cc32)CCC4)n1 ZINC000826350256 1446265003 /nfs/dbraw/zinc/26/50/03/1446265003.db2.gz OGPPOFFPAXQBGL-UHFFFAOYSA-N -1 1 395.854 3.393 20 30 GGEDMM C=CCOCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735437588 1446325375 /nfs/dbraw/zinc/32/53/75/1446325375.db2.gz MPBUUSJDPZRTSM-UHFFFAOYSA-N -1 1 383.839 3.256 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(N2CCCCC2)cc1 ZINC000737806002 1446328628 /nfs/dbraw/zinc/32/86/28/1446328628.db2.gz KKNOKNRSVBSBBL-KTKRTIGZSA-N -1 1 399.458 3.401 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)nnn1-c1ccc(Cl)cc1 ZINC000826234219 1446333962 /nfs/dbraw/zinc/33/39/62/1446333962.db2.gz MTJPNXXYYJNMEZ-WDZFZDKYSA-N -1 1 391.822 3.305 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000824352462 1446364090 /nfs/dbraw/zinc/36/40/90/1446364090.db2.gz FAYGINJPHCIGRV-ZDUSSCGKSA-N -1 1 381.440 3.221 20 30 GGEDMM N#Cc1ccc(CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000737711385 1446375149 /nfs/dbraw/zinc/37/51/49/1446375149.db2.gz IZSHFBFCCHIFTQ-UHFFFAOYSA-N -1 1 377.383 3.074 20 30 GGEDMM N#Cc1cnc2ccc(Cl)cc2c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822842552 1446407168 /nfs/dbraw/zinc/40/71/68/1446407168.db2.gz NUMSEMZYFODDFI-UHFFFAOYSA-N -1 1 379.786 3.113 20 30 GGEDMM N#CC1(NC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000826380419 1446414864 /nfs/dbraw/zinc/41/48/64/1446414864.db2.gz ZRGCLKZYZMSSST-UHFFFAOYSA-N -1 1 394.822 3.488 20 30 GGEDMM CC[C@H](C#N)Oc1cccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736309250 1446425002 /nfs/dbraw/zinc/42/50/02/1446425002.db2.gz MJGLMMBVPYRVPG-CQSZACIVSA-N -1 1 379.380 3.068 20 30 GGEDMM CCN1CC(=Cc2ccccc2C#N)C(=O)C(=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000825444158 1446426091 /nfs/dbraw/zinc/42/60/91/1446426091.db2.gz JHVKTHYKPTVYRR-ZZUVKVOASA-N -1 1 396.454 3.110 20 30 GGEDMM C=C(C)CNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735402448 1446438391 /nfs/dbraw/zinc/43/83/91/1446438391.db2.gz VOWBODQNYPUIKV-UHFFFAOYSA-N -1 1 398.467 3.447 20 30 GGEDMM C[C@@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000735505667 1446442616 /nfs/dbraw/zinc/44/26/16/1446442616.db2.gz UQQHCNHOVOXUCC-NSHDSACASA-N -1 1 382.811 3.197 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(Br)ccc2Cl)o1 ZINC000822423005 1446448071 /nfs/dbraw/zinc/44/80/71/1446448071.db2.gz GYGXWLGRLXZNAT-UHFFFAOYSA-N -1 1 382.609 3.025 20 30 GGEDMM CC(CCc1n[nH]c2ccccc12)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824412784 1446455867 /nfs/dbraw/zinc/45/58/67/1446455867.db2.gz FSLILQRZPQSCKR-UHFFFAOYSA-N -1 1 381.831 3.212 20 30 GGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)c1)O[C@H](C)C2 ZINC000826178655 1446461757 /nfs/dbraw/zinc/46/17/57/1446461757.db2.gz HCEOXWJSRNEDIQ-DUMNWFOQSA-N -1 1 380.379 3.234 20 30 GGEDMM N#Cc1ccccc1-c1ccc(CNC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000826387476 1446472192 /nfs/dbraw/zinc/47/21/92/1446472192.db2.gz WWZUPMGHSLGWTB-UHFFFAOYSA-N -1 1 386.440 3.397 20 30 GGEDMM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000825553892 1446478733 /nfs/dbraw/zinc/47/87/33/1446478733.db2.gz YJUJUKFPFGJTNP-WQLSENKSSA-N -1 1 395.394 3.032 20 30 GGEDMM N#Cc1c2c(sc1NC(=O)Cc1cccc(-c3nnn[n-]3)c1)CCCCC2 ZINC000822818908 1446485796 /nfs/dbraw/zinc/48/57/96/1446485796.db2.gz IOLGDMAMDDFNAB-UHFFFAOYSA-N -1 1 378.461 3.250 20 30 GGEDMM N#C[C@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000737674567 1446490026 /nfs/dbraw/zinc/49/00/26/1446490026.db2.gz KNHYTQLFQMDLII-INIZCTEOSA-N -1 1 398.879 3.134 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735975574 1446502513 /nfs/dbraw/zinc/50/25/13/1446502513.db2.gz QCVLBXZCQJVLRL-ZDUSSCGKSA-N -1 1 378.461 3.442 20 30 GGEDMM N#Cc1c(CN2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cn2ccccc12 ZINC000737706748 1446504576 /nfs/dbraw/zinc/50/45/76/1446504576.db2.gz YZDQLLOREOELPR-UHFFFAOYSA-N -1 1 399.458 3.034 20 30 GGEDMM C=CCNc1nnc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)s1 ZINC000819750657 1446508745 /nfs/dbraw/zinc/50/87/45/1446508745.db2.gz IPEYRLPFZKSMOG-UHFFFAOYSA-N -1 1 397.436 3.210 20 30 GGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000822923805 1446524473 /nfs/dbraw/zinc/52/44/73/1446524473.db2.gz UWBPZJXIZKCDKN-BAQGIRSFSA-N -1 1 395.850 3.253 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(OC(F)F)cc1 ZINC000737807215 1446542271 /nfs/dbraw/zinc/54/22/71/1446542271.db2.gz PALWGNSEVHIYSW-DAXSKMNVSA-N -1 1 382.330 3.012 20 30 GGEDMM C=C(C)[C@H](CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)OCC ZINC000823874790 1446556968 /nfs/dbraw/zinc/55/69/68/1446556968.db2.gz YXSACQGVCSTNRY-HNNXBMFYSA-N -1 1 384.465 3.300 20 30 GGEDMM N#Cc1c(Cl)cccc1SCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826383169 1446562223 /nfs/dbraw/zinc/56/22/23/1446562223.db2.gz NSKVMVFLNJLJQU-UHFFFAOYSA-N -1 1 376.854 3.184 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(OC)c(OC)cc1OC ZINC000823915415 1446608806 /nfs/dbraw/zinc/60/88/06/1446608806.db2.gz XGEXYQWPGJSZMO-UHFFFAOYSA-N -1 1 395.463 3.081 20 30 GGEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)S1 ZINC000822293623 1446613627 /nfs/dbraw/zinc/61/36/27/1446613627.db2.gz DZVFBSHMAUGOMX-NTUHNPAUSA-N -1 1 382.474 3.437 20 30 GGEDMM N#CCn1c(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc2ccccc21 ZINC000826382368 1446650450 /nfs/dbraw/zinc/65/04/50/1446650450.db2.gz AZFFGMWGKOAGQY-UHFFFAOYSA-N -1 1 392.806 3.355 20 30 GGEDMM COc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826187534 1446689862 /nfs/dbraw/zinc/68/98/62/1446689862.db2.gz VIVXJRCYKGNXTI-FMIVXFBMSA-N -1 1 386.415 3.172 20 30 GGEDMM CC1CC(C#N)(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)C1 ZINC000820641197 1446721073 /nfs/dbraw/zinc/72/10/73/1446721073.db2.gz ASZJYASARCCILA-UHFFFAOYSA-N -1 1 388.431 3.324 20 30 GGEDMM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000821337203 1446727652 /nfs/dbraw/zinc/72/76/52/1446727652.db2.gz CTBFEPXIQKDSRY-XYOKQWHBSA-N -1 1 395.394 3.032 20 30 GGEDMM C=CCc1cc(-c2nc3cc(-c4nnn[n-]4)ccc3n2CC)cc(OC)c1O ZINC000823937455 1446745122 /nfs/dbraw/zinc/74/51/22/1446745122.db2.gz YJUVHDRFZOWBFH-UHFFFAOYSA-N -1 1 376.420 3.346 20 30 GGEDMM CN(CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825887595 1446748100 /nfs/dbraw/zinc/74/81/00/1446748100.db2.gz JBOYZBPIWSATGY-UHFFFAOYSA-N -1 1 387.365 3.249 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000820315785 1446772978 /nfs/dbraw/zinc/77/29/78/1446772978.db2.gz PJFIWAZRRAMLOX-KUHUBIRLSA-N -1 1 390.447 3.019 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc2c1OCCCO2 ZINC000823915514 1446816260 /nfs/dbraw/zinc/81/62/60/1446816260.db2.gz YXMPRFVIYARREA-UHFFFAOYSA-N -1 1 377.448 3.216 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1c(C)cccc1C ZINC000819745800 1446870755 /nfs/dbraw/zinc/87/07/55/1446870755.db2.gz RVKSYTKITDUQHE-UHFFFAOYSA-N -1 1 376.464 3.381 20 30 GGEDMM CCOc1cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cc(Cl)c1O ZINC000825615564 1446885993 /nfs/dbraw/zinc/88/59/93/1446885993.db2.gz AIJOFCCHGXOUSH-UHFFFAOYSA-N -1 1 394.222 3.119 20 30 GGEDMM C[C@@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1ccc(C#N)cc1 ZINC000824612645 1446891925 /nfs/dbraw/zinc/89/19/25/1446891925.db2.gz OAUVYVXVNVEXKR-LLVKDONJSA-N -1 1 383.253 3.352 20 30 GGEDMM Cc1c(C(=O)C=Cc2nc3c(s2)CCCC3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234174 1446919809 /nfs/dbraw/zinc/91/98/09/1446919809.db2.gz LAIKROHFYQMLLJ-CMDGGOBGSA-N -1 1 380.477 3.154 20 30 GGEDMM N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)s3)n2)c1 ZINC000826386349 1446928996 /nfs/dbraw/zinc/92/89/96/1446928996.db2.gz AMYIVFBGBVXROH-UHFFFAOYSA-N -1 1 379.430 3.176 20 30 GGEDMM C=CCCOCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000823899457 1446940213 /nfs/dbraw/zinc/94/02/13/1446940213.db2.gz WVIFQHQOIIQAJD-UHFFFAOYSA-N -1 1 393.447 3.290 20 30 GGEDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000825958020 1446986486 /nfs/dbraw/zinc/98/64/86/1446986486.db2.gz LOUJYGHJFJWGHB-SFHVURJKSA-N -1 1 375.436 3.053 20 30 GGEDMM C=CCC(CC=C)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000819734061 1446992420 /nfs/dbraw/zinc/99/24/20/1446992420.db2.gz HJHSTZNNPNDLDL-UHFFFAOYSA-N -1 1 377.452 3.376 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc([N+](=O)[O-])ccc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202425 1446994857 /nfs/dbraw/zinc/99/48/57/1446994857.db2.gz MIOZBADOGHIIGI-DAXSKMNVSA-N -1 1 398.810 3.381 20 30 GGEDMM Cc1cccc2c1ncc(C#N)c2N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826304716 1446998433 /nfs/dbraw/zinc/99/84/33/1446998433.db2.gz VVNINHSRIOOVKH-IBGZPJMESA-N -1 1 397.442 3.173 20 30 GGEDMM CCN(C(=O)c1ccccc1OCC#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385707 1447009602 /nfs/dbraw/zinc/00/96/02/1447009602.db2.gz RKQYNGVTWKGFNY-UHFFFAOYSA-N -1 1 382.811 3.089 20 30 GGEDMM Cc1ncc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)n1-c1ccccc1 ZINC000826329472 1447013326 /nfs/dbraw/zinc/01/33/26/1447013326.db2.gz FJFFYEKXACFFST-UHFFFAOYSA-N -1 1 391.439 3.092 20 30 GGEDMM C=CCCOCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735416436 1447022672 /nfs/dbraw/zinc/02/26/72/1447022672.db2.gz KDZGWRLTFWZNJQ-UHFFFAOYSA-N -1 1 397.410 3.116 20 30 GGEDMM N#Cc1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC000826385356 1447046235 /nfs/dbraw/zinc/04/62/35/1447046235.db2.gz ITDYNCXMSHVUAI-UHFFFAOYSA-N -1 1 379.811 3.203 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000735418597 1447050724 /nfs/dbraw/zinc/05/07/24/1447050724.db2.gz FZBLKNFGHAAVJW-DLBZAZTESA-N -1 1 395.413 3.463 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(F)c3cccnc23)o1 ZINC000820108785 1447053337 /nfs/dbraw/zinc/05/33/37/1447053337.db2.gz SPJHYPJDLYETDT-UHFFFAOYSA-N -1 1 380.387 3.187 20 30 GGEDMM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000737242562 1447069049 /nfs/dbraw/zinc/06/90/49/1447069049.db2.gz WVNRUDKXHFPMPT-UHFFFAOYSA-N -1 1 390.432 3.093 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccnc1OCC(C)C ZINC000735420800 1447078741 /nfs/dbraw/zinc/07/87/41/1447078741.db2.gz UEAOCSKLWKZVPX-UHFFFAOYSA-N -1 1 392.463 3.125 20 30 GGEDMM C=CCN(CC=C)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819739714 1447090790 /nfs/dbraw/zinc/09/07/90/1447090790.db2.gz DWDVXDSMFWDAJE-CYBMUJFWSA-N -1 1 386.525 3.198 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(-c2ccco2)s1 ZINC000735418209 1447104959 /nfs/dbraw/zinc/10/49/59/1447104959.db2.gz DHHXPWMVEMCERQ-UHFFFAOYSA-N -1 1 392.444 3.412 20 30 GGEDMM O=C(C=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1)c1cnccn1 ZINC000737797034 1447165713 /nfs/dbraw/zinc/16/57/13/1447165713.db2.gz IETHIAGYPWYGBZ-BQYQJAHWSA-N -1 1 384.399 3.132 20 30 GGEDMM N#Cc1ccc(NC(=O)COc2cc(Cl)cc(Cl)c2)cc1-c1nnn[n-]1 ZINC000822829813 1447218213 /nfs/dbraw/zinc/21/82/13/1447218213.db2.gz KMFWNZRADVVCLG-UHFFFAOYSA-N -1 1 389.202 3.063 20 30 GGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)c(F)c3)c1)O[C@@H](C)C2 ZINC000826178657 1447258483 /nfs/dbraw/zinc/25/84/83/1447258483.db2.gz HCEOXWJSRNEDIQ-QZPNVGJNSA-N -1 1 380.379 3.234 20 30 GGEDMM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccccc1C(C)(C)C#N ZINC000820533931 1447272773 /nfs/dbraw/zinc/27/27/73/1447272773.db2.gz HVLLKDFAAOBXAH-CQSZACIVSA-N -1 1 391.431 3.179 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCC#Cc1ccccc1 ZINC000820033526 1447305281 /nfs/dbraw/zinc/30/52/81/1447305281.db2.gz WAUHRJKYWAGMJU-FQEVSTJZSA-N -1 1 390.443 3.255 20 30 GGEDMM C=CCN(CCc1ccco1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000823903513 1447308314 /nfs/dbraw/zinc/30/83/14/1447308314.db2.gz CFEOQUOLZOMUGR-UHFFFAOYSA-N -1 1 382.424 3.121 20 30 GGEDMM CC(C)(C)c1cc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c(C#N)s1 ZINC000824129613 1447309951 /nfs/dbraw/zinc/30/99/51/1447309951.db2.gz APWROVHJFQXLNU-UHFFFAOYSA-N -1 1 382.449 3.115 20 30 GGEDMM CCNc1ccc(-c2nnn[n-]2)cc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000821304222 1447310381 /nfs/dbraw/zinc/31/03/81/1447310381.db2.gz BPKTUABWNGUKEY-UHFFFAOYSA-N -1 1 393.476 3.042 20 30 GGEDMM C#CCOc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cc1 ZINC000735380884 1447311990 /nfs/dbraw/zinc/31/19/90/1447311990.db2.gz NHEMGHNJKPJDSZ-UHFFFAOYSA-N -1 1 390.447 3.321 20 30 GGEDMM C#CCOc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CC[C@@H](C)C3)cc1 ZINC000735381775 1447330151 /nfs/dbraw/zinc/33/01/51/1447330151.db2.gz ZRNLJCUCGKFCQE-GFCCVEGCSA-N -1 1 393.472 3.317 20 30 GGEDMM N#CCCCCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737688881 1449059643 /nfs/dbraw/zinc/05/96/43/1449059643.db2.gz ZWKKIWUUPFNPTC-UHFFFAOYSA-N -1 1 381.465 3.088 20 30 GGEDMM N#Cc1ccc(N2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cc1Cl ZINC000737717635 1449063574 /nfs/dbraw/zinc/06/35/74/1449063574.db2.gz HWIZYRIPZUYVSP-UHFFFAOYSA-N -1 1 380.839 3.440 20 30 GGEDMM N#Cc1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000737727205 1449082569 /nfs/dbraw/zinc/08/25/69/1449082569.db2.gz GQQIDMDYVBOQQN-UHFFFAOYSA-N -1 1 399.380 3.084 20 30 GGEDMM CCN(CC)c1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1F ZINC000736531024 1449086460 /nfs/dbraw/zinc/08/64/60/1449086460.db2.gz BNIXNAKEZXHRDQ-UHFFFAOYSA-N -1 1 386.435 3.409 20 30 GGEDMM N#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1cccc(Cl)c1Cl ZINC000737675189 1449103463 /nfs/dbraw/zinc/10/34/63/1449103463.db2.gz NQFAJNIDKOIUAP-JTQLQIEISA-N -1 1 379.232 3.230 20 30 GGEDMM C=C1CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000735403523 1449119272 /nfs/dbraw/zinc/11/92/72/1449119272.db2.gz XZILDQPEKMUBAD-UHFFFAOYSA-N -1 1 375.432 3.238 20 30 GGEDMM C=CCOc1ccc(O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000823931655 1449130944 /nfs/dbraw/zinc/13/09/44/1449130944.db2.gz CMXWNAKCSBHGGX-LJQANCHMSA-N -1 1 391.431 3.006 20 30 GGEDMM CC[C@@H](C#N)Oc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)ccc1OC ZINC000820843230 1449132189 /nfs/dbraw/zinc/13/21/89/1449132189.db2.gz VUXYAEDLBJIIIR-AWEZNQCLSA-N -1 1 382.399 3.307 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(F)cc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360069 1449133887 /nfs/dbraw/zinc/13/38/87/1449133887.db2.gz WOSSZWXXUHJSBO-TWGQIWQCSA-N -1 1 392.369 3.442 20 30 GGEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822211857 1449174719 /nfs/dbraw/zinc/17/47/19/1449174719.db2.gz QPMZQNWRVSZZTE-UHFFFAOYSA-N -1 1 385.387 3.420 20 30 GGEDMM CC(C)(C)n1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000735662870 1449181594 /nfs/dbraw/zinc/18/15/94/1449181594.db2.gz ZWYWGDOHLYBQLG-UHFFFAOYSA-N -1 1 378.362 3.283 20 30 GGEDMM Cc1nnc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)c(C#N)c1C ZINC000737531391 1449282845 /nfs/dbraw/zinc/28/28/45/1449282845.db2.gz AFSRCAFQCDEJQJ-UHFFFAOYSA-N -1 1 398.430 3.468 20 30 GGEDMM N#C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000822801649 1449292035 /nfs/dbraw/zinc/29/20/35/1449292035.db2.gz LPJQDNXZOWIRMC-AWEZNQCLSA-N -1 1 387.230 3.097 20 30 GGEDMM N#Cc1nc(Oc2ccc(Br)cc2-c2nn[n-]n2)ccc1Cl ZINC000822845991 1449396717 /nfs/dbraw/zinc/39/67/17/1449396717.db2.gz MFXXJDJCMQVOMK-UHFFFAOYSA-N -1 1 377.589 3.342 20 30 GGEDMM N#CCSc1ccccc1NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000737698468 1449399764 /nfs/dbraw/zinc/39/97/64/1449399764.db2.gz ZFCQQMQAEMKDIZ-UHFFFAOYSA-N -1 1 382.474 3.213 20 30 GGEDMM C=CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1cccs1 ZINC000823903664 1449402330 /nfs/dbraw/zinc/40/23/30/1449402330.db2.gz GVRKUYMNTNSIFC-UHFFFAOYSA-N -1 1 388.522 3.233 20 30 GGEDMM C=C1CCN([C@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000735402507 1449403726 /nfs/dbraw/zinc/40/37/26/1449403726.db2.gz CXASTMYJLACAPS-CYBMUJFWSA-N -1 1 386.525 3.176 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(F)cc3cccnc32)o1 ZINC000820108910 1449407222 /nfs/dbraw/zinc/40/72/22/1449407222.db2.gz UTZXZVULYSASLP-UHFFFAOYSA-N -1 1 380.387 3.187 20 30 GGEDMM C[C@@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820404340 1449413302 /nfs/dbraw/zinc/41/33/02/1449413302.db2.gz SPBSNRZVVUFVMJ-SNVBAGLBSA-N -1 1 383.868 3.439 20 30 GGEDMM Cn1cc(-c2nnn[n-]2)cc1C(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000822665496 1449418561 /nfs/dbraw/zinc/41/85/61/1449418561.db2.gz QWWZKVIPEFOUAD-UHFFFAOYSA-N -1 1 386.371 3.088 20 30 GGEDMM O=C(C=Cc1csc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403573 1449431206 /nfs/dbraw/zinc/43/12/06/1449431206.db2.gz WHXODBVNURECKU-ALCCZGGFSA-N -1 1 378.392 3.420 20 30 GGEDMM O=c1c(-c2nnn[n-]2)cn(CC#Cc2ccc(F)cc2)c2ccc(Cl)cc12 ZINC000823657833 1449435148 /nfs/dbraw/zinc/43/51/48/1449435148.db2.gz VMJXKGGLKVDLJM-UHFFFAOYSA-N -1 1 379.782 3.026 20 30 GGEDMM N#Cc1ccc(SCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000737722530 1449441091 /nfs/dbraw/zinc/44/10/91/1449441091.db2.gz KCHCFNZXYBQSTP-UHFFFAOYSA-N -1 1 382.474 3.019 20 30 GGEDMM CC(C)(C#N)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824059165 1449453531 /nfs/dbraw/zinc/45/35/31/1449453531.db2.gz NTOUSNNMOWMAKE-UHFFFAOYSA-N -1 1 382.811 3.344 20 30 GGEDMM N#Cc1ccc(Cl)cc1N1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737719712 1449476124 /nfs/dbraw/zinc/47/61/24/1449476124.db2.gz WNIIHUDKNOLOEK-UHFFFAOYSA-N -1 1 380.839 3.440 20 30 GGEDMM C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820479836 1449494861 /nfs/dbraw/zinc/49/48/61/1449494861.db2.gz CKWVUKONHACKDS-ZDUSSCGKSA-N -1 1 377.404 3.200 20 30 GGEDMM N#Cc1cc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000822818624 1449497419 /nfs/dbraw/zinc/49/74/19/1449497419.db2.gz DPZBWJILBKQLKM-UHFFFAOYSA-N -1 1 395.394 3.170 20 30 GGEDMM CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825631621 1449505487 /nfs/dbraw/zinc/50/54/87/1449505487.db2.gz DZCJNXFCDALAHE-QPJJXVBHSA-N -1 1 383.339 3.209 20 30 GGEDMM CC(C)[C@H](C#N)OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000820015156 1449506659 /nfs/dbraw/zinc/50/66/59/1449506659.db2.gz AYVHUUCXUJEXNB-SFHVURJKSA-N -1 1 377.404 3.151 20 30 GGEDMM C#CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000823839131 1449525073 /nfs/dbraw/zinc/52/50/73/1449525073.db2.gz ZYDOOCPRLMSQRK-INIZCTEOSA-N -1 1 377.452 3.309 20 30 GGEDMM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000819966193 1449534486 /nfs/dbraw/zinc/53/44/86/1449534486.db2.gz YKNFRRRGXMMZCP-FNORWQNLSA-N -1 1 379.449 3.144 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cnc(-c3ccccc3F)s2)cc1-c1nn[n-]n1 ZINC000737717929 1449570830 /nfs/dbraw/zinc/57/08/30/1449570830.db2.gz CKUKGJRNCIWSDJ-UHFFFAOYSA-N -1 1 391.391 3.253 20 30 GGEDMM C=C[C@H](CC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823882813 1449571158 /nfs/dbraw/zinc/57/11/58/1449571158.db2.gz DQCMNVKEXOROIR-GOSISDBHSA-N -1 1 391.475 3.202 20 30 GGEDMM N#Cc1ccc(-c2nnc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)o2)cc1 ZINC000822822715 1449586765 /nfs/dbraw/zinc/58/67/65/1449586765.db2.gz CVKTZOWJUWXBOW-UHFFFAOYSA-N -1 1 378.783 3.054 20 30 GGEDMM CCCCCCCCCN(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736449489 1449614922 /nfs/dbraw/zinc/61/49/22/1449614922.db2.gz XCNQXDBXTHYHNH-UHFFFAOYSA-N -1 1 390.463 3.153 20 30 GGEDMM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)s2)o1 ZINC000737289830 1449634641 /nfs/dbraw/zinc/63/46/41/1449634641.db2.gz XQFIVGMUVQQMBX-UHFFFAOYSA-N -1 1 391.416 3.324 20 30 GGEDMM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735734614 1449640258 /nfs/dbraw/zinc/64/02/58/1449640258.db2.gz HXHJCNVPHUVDGB-KRWDZBQOSA-N -1 1 378.461 3.494 20 30 GGEDMM N#CC1(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CCCCC1 ZINC000826379985 1449648185 /nfs/dbraw/zinc/64/81/85/1449648185.db2.gz JDRLWJVEHZMAKK-UHFFFAOYSA-N -1 1 396.842 3.118 20 30 GGEDMM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403483 1449661541 /nfs/dbraw/zinc/66/15/41/1449661541.db2.gz UAJODABTVKFHRD-RQOWECAXSA-N -1 1 378.392 3.420 20 30 GGEDMM N#Cc1cccc(-c2c[nH]c(CNc3ccc4cc(-c5nnn[n-]5)ccc4n3)n2)c1 ZINC000826386783 1449670704 /nfs/dbraw/zinc/67/07/04/1449670704.db2.gz SNRIIJXDZUENJE-UHFFFAOYSA-N -1 1 393.414 3.289 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1c(C)cccc1C ZINC000819745942 1449710824 /nfs/dbraw/zinc/71/08/24/1449710824.db2.gz VXTUPAACPVSMCZ-UHFFFAOYSA-N -1 1 390.491 3.424 20 30 GGEDMM CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821077377 1449737049 /nfs/dbraw/zinc/73/70/49/1449737049.db2.gz CTHUZDGHQAQHFP-CQSZACIVSA-N -1 1 394.460 3.232 20 30 GGEDMM CC(C)[C@@](C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735690739 1449746439 /nfs/dbraw/zinc/74/64/39/1449746439.db2.gz MKYKCIXXCCMUPP-HXUWFJFHSA-N -1 1 394.410 3.466 20 30 GGEDMM COc1cc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)cc1O ZINC000826177300 1449762695 /nfs/dbraw/zinc/76/26/95/1449762695.db2.gz BXNRFHLJXUNHGV-UHFFFAOYSA-N -1 1 388.815 3.079 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(C#N)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359678 1449818012 /nfs/dbraw/zinc/81/80/12/1449818012.db2.gz NTDQSQYRQKGELW-CMDGGOBGSA-N -1 1 399.389 3.174 20 30 GGEDMM CC(C)(C)OC(=O)Nc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000819945845 1449847928 /nfs/dbraw/zinc/84/79/28/1449847928.db2.gz GPGALGRAVBPQFM-UHFFFAOYSA-N -1 1 380.412 3.055 20 30 GGEDMM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000735661049 1449851509 /nfs/dbraw/zinc/85/15/09/1449851509.db2.gz QKKUKUMIBJJLGK-UHFFFAOYSA-N -1 1 381.465 3.026 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735501944 1449863238 /nfs/dbraw/zinc/86/32/38/1449863238.db2.gz ARTZBTBDODUIHK-CYBMUJFWSA-N -1 1 394.460 3.136 20 30 GGEDMM C=CCCO[C@H](C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735416669 1449864845 /nfs/dbraw/zinc/86/48/45/1449864845.db2.gz OHAXWYZGZPAZRZ-CYBMUJFWSA-N -1 1 383.477 3.193 20 30 GGEDMM N#Cc1ccc(Oc2ccc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000737722375 1449875238 /nfs/dbraw/zinc/87/52/38/1449875238.db2.gz UFARTGHJAZEQIN-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM N#Cc1ccc(-n2ccc(NCc3cc(-c4nn[n-]n4)ccc3F)n2)c(Cl)c1 ZINC000826384197 1449905656 /nfs/dbraw/zinc/90/56/56/1449905656.db2.gz KZLQPOOQZTUITB-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM Cn1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C(C)(C)C)n1 ZINC000826360344 1449915110 /nfs/dbraw/zinc/91/51/10/1449915110.db2.gz HGUBJBHCRCRKEF-UHFFFAOYSA-N -1 1 392.389 3.363 20 30 GGEDMM C=CCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O)c1ccccc1 ZINC000819734385 1449968335 /nfs/dbraw/zinc/96/83/35/1449968335.db2.gz NMXRMQAEQVAJKA-OAHLLOKOSA-N -1 1 396.476 3.127 20 30 GGEDMM CCN(C(=O)c1c(F)cc(C#N)cc1F)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821154183 1449971563 /nfs/dbraw/zinc/97/15/63/1449971563.db2.gz KWGNTPPIFNKBAO-LLVKDONJSA-N -1 1 382.374 3.240 20 30 GGEDMM C=CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)Cc1ccccc1 ZINC000819740155 1449985206 /nfs/dbraw/zinc/98/52/06/1449985206.db2.gz RJYZYNIKDGKJLF-UHFFFAOYSA-N -1 1 382.493 3.172 20 30 GGEDMM Cc1c(C(=O)C=CC=Cc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202898 1450037021 /nfs/dbraw/zinc/03/70/21/1450037021.db2.gz PTPZQEHFDNUHSS-QKGSAJFTSA-N -1 1 390.403 3.283 20 30 GGEDMM N#CCCN(C(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000822806861 1450043009 /nfs/dbraw/zinc/04/30/09/1450043009.db2.gz UOJJKULXVMWORT-UHFFFAOYSA-N -1 1 399.817 3.018 20 30 GGEDMM Cc1c(C(=O)C=Cc2cccnc2Cl)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737202443 1450073992 /nfs/dbraw/zinc/07/39/92/1450073992.db2.gz MMOGXAOSSCRMBM-RMKNXTFCSA-N -1 1 391.822 3.305 20 30 GGEDMM N#Cc1cc(F)c(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c(F)c1 ZINC000826384093 1450108599 /nfs/dbraw/zinc/10/85/99/1450108599.db2.gz GRMHYJBDCNCLFI-UHFFFAOYSA-N -1 1 378.346 3.019 20 30 GGEDMM C#CCOc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735380695 1450148397 /nfs/dbraw/zinc/14/83/97/1450148397.db2.gz LGLCUJLWIXPTNB-UHFFFAOYSA-N -1 1 391.431 3.067 20 30 GGEDMM Cn1cc(C=NNc2ccc(Cl)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360754 1450152943 /nfs/dbraw/zinc/15/29/43/1450152943.db2.gz WWBFILRVMZZFEK-UHFFFAOYSA-N -1 1 378.827 3.367 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(Br)s1 ZINC000822176640 1450175733 /nfs/dbraw/zinc/17/57/33/1450175733.db2.gz NIKDOPJJKFNKSU-UHFFFAOYSA-N -1 1 389.238 3.123 20 30 GGEDMM N#Cc1ccc(CNC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000737717311 1450176111 /nfs/dbraw/zinc/17/61/11/1450176111.db2.gz BZYQDOGWLGOYDG-UHFFFAOYSA-N -1 1 398.401 3.474 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)Nc1ccccc1 ZINC000735418918 1450198140 /nfs/dbraw/zinc/19/81/40/1450198140.db2.gz LRHOFAKQDJDCRM-IBGZPJMESA-N -1 1 376.464 3.272 20 30 GGEDMM CC(C)(CN=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000819975921 1450222137 /nfs/dbraw/zinc/22/21/37/1450222137.db2.gz FRFCIROTOMRCIV-KRWDZBQOSA-N -1 1 379.424 3.351 20 30 GGEDMM C=C[C@@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000819730259 1450317248 /nfs/dbraw/zinc/31/72/48/1450317248.db2.gz UHSPFZNHIFWCMP-GFCCVEGCSA-N -1 1 382.399 3.281 20 30 GGEDMM CCC(CC)CN(CCC#N)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820893568 1450333654 /nfs/dbraw/zinc/33/36/54/1450333654.db2.gz RAMWYMUDJFTKEY-UHFFFAOYSA-N -1 1 380.456 3.069 20 30 GGEDMM C[C@H](Sc1ccccc1C#N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820555251 1450354625 /nfs/dbraw/zinc/35/46/25/1450354625.db2.gz HWFMGVSJXUAJNV-JTQLQIEISA-N -1 1 396.501 3.408 20 30 GGEDMM Cc1c(C#N)cccc1NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000822014866 1450370691 /nfs/dbraw/zinc/37/06/91/1450370691.db2.gz AKLWDCWZEBSFRU-SFHVURJKSA-N -1 1 376.420 3.089 20 30 GGEDMM C=CCCC(=O)COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823888453 1450390790 /nfs/dbraw/zinc/39/07/90/1450390790.db2.gz MTWADHDYVIPVAN-UHFFFAOYSA-N -1 1 378.388 3.351 20 30 GGEDMM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1SCCC#N ZINC000736170582 1450447186 /nfs/dbraw/zinc/44/71/86/1450447186.db2.gz VMLMMOGRTWXWGB-CYBMUJFWSA-N -1 1 394.460 3.278 20 30 GGEDMM C=C(C)COCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000819723046 1450449915 /nfs/dbraw/zinc/44/99/15/1450449915.db2.gz WADANLSGYQXOFD-UHFFFAOYSA-N -1 1 395.488 3.340 20 30 GGEDMM C#CC[C@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000823837898 1450499321 /nfs/dbraw/zinc/49/93/21/1450499321.db2.gz IKGWSVXVXMFCJY-NRFANRHFSA-N -1 1 398.470 3.430 20 30 GGEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824753626 1450522269 /nfs/dbraw/zinc/52/22/69/1450522269.db2.gz FYXBDXOTFCYHDJ-QFYYESIMSA-N -1 1 378.889 3.055 20 30 GGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NCc2cnc(-c3ccccn3)s2)o1 ZINC000819965840 945320564 /nfs/dbraw/zinc/32/05/64/945320564.db2.gz OXWQJBIEIFMFMS-UHFFFAOYSA-N -1 1 395.452 3.117 20 30 GGEDMM C#C[C@@H]1CCCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001573279258 946635441 /nfs/dbraw/zinc/63/54/41/946635441.db2.gz DYCYOQJSQPDESD-OAHLLOKOSA-N -1 1 391.406 3.426 20 30 GGEDMM C#C[C@@H]1CCCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001573279258 946635447 /nfs/dbraw/zinc/63/54/47/946635447.db2.gz DYCYOQJSQPDESD-OAHLLOKOSA-N -1 1 391.406 3.426 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC(O)(c3cccc(F)c3)CC2)o1 ZINC000824352801 946666584 /nfs/dbraw/zinc/66/65/84/946666584.db2.gz OJEHWDHVOXCEAF-UHFFFAOYSA-N -1 1 399.430 3.347 20 30 GGEDMM C#CCN(C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@H]1CCCc2ccccc21 ZINC001573282974 946704249 /nfs/dbraw/zinc/70/42/49/946704249.db2.gz OEQQKNOZCWPZLQ-SFHVURJKSA-N -1 1 393.397 3.298 20 30 GGEDMM C#CCN(C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@H]1CCCc2ccccc21 ZINC001573282974 946704260 /nfs/dbraw/zinc/70/42/60/946704260.db2.gz OEQQKNOZCWPZLQ-SFHVURJKSA-N -1 1 393.397 3.298 20 30 GGEDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824516484 946759037 /nfs/dbraw/zinc/75/90/37/946759037.db2.gz XKRCDUCAVQTEQE-CQSZACIVSA-N -1 1 395.426 3.291 20 30 GGEDMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824516484 946759045 /nfs/dbraw/zinc/75/90/45/946759045.db2.gz XKRCDUCAVQTEQE-CQSZACIVSA-N -1 1 395.426 3.291 20 30 GGEDMM C=CCCN(OCc1ccccc1)C(=O)c1[nH]c2ccccc2c1-c1nn[n-]n1 ZINC001573334496 947456176 /nfs/dbraw/zinc/45/61/76/947456176.db2.gz DWJBOKXTPAGYHQ-UHFFFAOYSA-N -1 1 388.431 3.498 20 30 GGEDMM C=CCN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001573341138 947527699 /nfs/dbraw/zinc/52/76/99/947527699.db2.gz IMTNYHQUSOBILH-UHFFFAOYSA-N -1 1 396.842 3.042 20 30 GGEDMM C=CCN(C)c1nnc(-c2ccccc2Cl)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001573341138 947527703 /nfs/dbraw/zinc/52/77/03/947527703.db2.gz IMTNYHQUSOBILH-UHFFFAOYSA-N -1 1 396.842 3.042 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)ccc1Cl ZINC001594311976 958039583 /nfs/dbraw/zinc/03/95/83/958039583.db2.gz SDAZHWWZVTZREL-INIZCTEOSA-N -1 1 391.899 3.472 20 30 GGEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@H](C)C[C@H](C(=O)[O-])C2)c1C#N ZINC001594252540 959622167 /nfs/dbraw/zinc/62/21/67/959622167.db2.gz AMMLNJGRKCAODF-CJNGLKHVSA-N -1 1 386.496 3.073 20 30 GGEDMM C#CCN(Cc1cc(C(=O)[O-])oc1CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573310785 962691264 /nfs/dbraw/zinc/69/12/64/962691264.db2.gz CRLPZDYVZOTGGP-UHFFFAOYSA-N -1 1 390.480 3.375 20 30 GGEDMM C#CCOc1ccc(Br)cc1CNCc1cc(C(=O)[O-])c(C)n1C ZINC001573311213 962695281 /nfs/dbraw/zinc/69/52/81/962695281.db2.gz JZTKPBXXDAGSCY-UHFFFAOYSA-N -1 1 391.265 3.096 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC(C)(C(=O)[O-])CC2)ccc1Cl ZINC001605186882 972902140 /nfs/dbraw/zinc/90/21/40/972902140.db2.gz IZVVTKQGORBVJE-UHFFFAOYSA-N -1 1 377.872 3.082 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000518782853 974325313 /nfs/dbraw/zinc/32/53/13/974325313.db2.gz ORHGQRDGVKAFQE-CYBMUJFWSA-N -1 1 390.486 3.366 20 30 GGEDMM N#Cc1cncc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)[O-])c1 ZINC000564548926 974549218 /nfs/dbraw/zinc/54/92/18/974549218.db2.gz DSNVAQIYGPITFT-UHFFFAOYSA-N -1 1 395.396 3.245 20 30 GGEDMM CC(C)[C@H]1CN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C ZINC001591910549 976322680 /nfs/dbraw/zinc/32/26/80/976322680.db2.gz IGJXIGZELMMJGN-QZTJIDSGSA-N -1 1 387.480 3.261 20 30 GGEDMM C[C@@](CC(=O)[O-])(NCC#Cc1ccc(OC(F)(F)F)cc1)c1cccnc1 ZINC001592319792 977712212 /nfs/dbraw/zinc/71/22/12/977712212.db2.gz DATGEAPOKACARU-SFHVURJKSA-N -1 1 378.350 3.311 20 30 GGEDMM C[C@@](CC(=O)[O-])(NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC001592319895 977712502 /nfs/dbraw/zinc/71/25/02/977712502.db2.gz GIZNAESALLPOMW-IBGZPJMESA-N -1 1 389.814 3.269 20 30 GGEDMM O=C([O-])COc1ccc(C=NNc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000731557202 978297889 /nfs/dbraw/zinc/29/78/89/978297889.db2.gz DYTXDTLBVDUPFY-UHFFFAOYSA-N -1 1 385.163 3.206 20 30 GGEDMM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)c1 ZINC000753524342 978693447 /nfs/dbraw/zinc/69/34/47/978693447.db2.gz PNPFRSHAYMCGDQ-UHFFFAOYSA-N -1 1 398.209 3.069 20 30 GGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1cnc2ccc(Br)cn12 ZINC000756906047 978701999 /nfs/dbraw/zinc/70/19/99/978701999.db2.gz RGLDNKMBDYQVHJ-UHFFFAOYSA-N -1 1 389.209 3.250 20 30 GGEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@H]2CCOC2)c1 ZINC000832935116 979057148 /nfs/dbraw/zinc/05/71/48/979057148.db2.gz VGGLSQVGALSRAO-UWJYYQICSA-N -1 1 380.444 3.198 20 30 GGEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@@H]2CCOC2)c1 ZINC000832935115 979057336 /nfs/dbraw/zinc/05/73/36/979057336.db2.gz VGGLSQVGALSRAO-UTKZUKDTSA-N -1 1 380.444 3.198 20 30 GGEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@H]2CCOC2)c1 ZINC000832935308 979057713 /nfs/dbraw/zinc/05/77/13/979057713.db2.gz ZNMWLLGENPGXGE-LAUBAEHRSA-N -1 1 380.444 3.198 20 30 GGEDMM CCCN1CCN(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CC1 ZINC001595912144 983005015 /nfs/dbraw/zinc/00/50/15/983005015.db2.gz IBFNOAHZQAJTMG-UHFFFAOYSA-N -1 1 391.471 3.344 20 30 GGEDMM C#CCN1CCC(NC(=O)Nc2ccc(Cl)cc2SCCC(=O)[O-])CC1 ZINC001588477050 983513958 /nfs/dbraw/zinc/51/39/58/983513958.db2.gz UQUIIUBIPKZTCI-UHFFFAOYSA-N -1 1 395.912 3.126 20 30 GGEDMM C#Cc1ccccc1CC(=O)Nc1nc2c(cc(C(=O)[O-])cc2Br)[nH]1 ZINC001588529300 983580818 /nfs/dbraw/zinc/58/08/18/983580818.db2.gz VUHMFJBUYNOOHB-UHFFFAOYSA-N -1 1 398.216 3.186 20 30 GGEDMM C=C(C)C[C@H](NCc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)C(=O)[O-] ZINC001588553910 983628853 /nfs/dbraw/zinc/62/88/53/983628853.db2.gz VAHJZWOOPYZFBH-KRWDZBQOSA-N -1 1 392.496 3.347 20 30 GGEDMM C=C[C@H](C(=O)[O-])N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001588668823 983806670 /nfs/dbraw/zinc/80/66/70/983806670.db2.gz AEVYZLGFWKPIMK-GFCCVEGCSA-N -1 1 393.203 3.229 20 30 GGEDMM C=CCOC[C@@H](NCc1c(C)nn(-c2cc(C)ccc2C)c1Cl)C(=O)[O-] ZINC001588866410 984424969 /nfs/dbraw/zinc/42/49/69/984424969.db2.gz OZSYJAPHCXZRAW-MRXNPFEDSA-N -1 1 377.872 3.196 20 30 GGEDMM C=CCOC[C@@H](NCc1c(C)nn(-c2ccc(Cl)cc2)c1Cl)C(=O)[O-] ZINC001588866912 984428855 /nfs/dbraw/zinc/42/88/55/984428855.db2.gz VQSDYQYACNJZDV-OAHLLOKOSA-N -1 1 384.263 3.233 20 30 GGEDMM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001588882352 984462660 /nfs/dbraw/zinc/46/26/60/984462660.db2.gz OLOWKIUKWXTWRJ-HXUWFJFHSA-N -1 1 379.428 3.240 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C(=O)[O-])ccc3F)[nH]n2)c1C ZINC001588912608 984552148 /nfs/dbraw/zinc/55/21/48/984552148.db2.gz KYMBIGJHKPYQNO-UHFFFAOYSA-N -1 1 383.383 3.166 20 30 GGEDMM CC(=NNc1ccc(-n2ccnc2)nn1)c1cnc2sc(C(=O)[O-])c(C)c2c1 ZINC001589016816 984998570 /nfs/dbraw/zinc/99/85/70/984998570.db2.gz KEKUQAZWTDMSHG-UHFFFAOYSA-N -1 1 393.432 3.115 20 30 GGEDMM Cc1c(C(=O)[O-])cc(CN=Nc2ccc([N+](=O)[O-])cc2Br)n1C ZINC001599984186 986208061 /nfs/dbraw/zinc/20/80/61/986208061.db2.gz DGNGTGSEUBHDCM-UHFFFAOYSA-N -1 1 381.186 3.148 20 30 GGEDMM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1ccc(C=CC(=O)[O-])o1 ZINC001597585800 988398755 /nfs/dbraw/zinc/39/87/55/988398755.db2.gz WRGCIRIGHOYLMX-HGPCXVNDSA-N -1 1 380.400 3.463 20 30 GGEDMM CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(C(=O)[O-])c2C#N)C12CCC2 ZINC001589985074 988879100 /nfs/dbraw/zinc/87/91/00/988879100.db2.gz KWRPEMHRLBSIIL-KRWDZBQOSA-N -1 1 385.464 3.278 20 30 GGEDMM CC(C)(C)OC(=O)N1CCC2(C1)CCN(Cc1cccc(C(=O)[O-])c1C#N)CC2 ZINC001590003669 988933545 /nfs/dbraw/zinc/93/35/45/988933545.db2.gz LJRLWGXYIZBLCG-UHFFFAOYSA-N -1 1 399.491 3.479 20 30 GGEDMM CC(C)(C)OC(=O)NC[C@H](NCc1cccc(C(=O)[O-])c1C#N)C1CCCC1 ZINC001590155054 989462774 /nfs/dbraw/zinc/46/27/74/989462774.db2.gz WOBSVWSOXUJTHX-SFHVURJKSA-N -1 1 387.480 3.430 20 30 GGEDMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC001598446875 991883350 /nfs/dbraw/zinc/88/33/50/991883350.db2.gz MEFQGEQHGTYXEQ-QGZVFWFLSA-N -1 1 386.411 3.054 20 30 GGEDMM CC(C)[C@H](NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001593237738 994415669 /nfs/dbraw/zinc/41/56/69/994415669.db2.gz UFOKTJLTTVYOGZ-BTYIYWSLSA-N -1 1 379.460 3.101 20 30 GGEDMM CC(C)[C@H](NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC001593237740 994415783 /nfs/dbraw/zinc/41/57/83/994415783.db2.gz UFOKTJLTTVYOGZ-VFNWGFHPSA-N -1 1 379.460 3.101 20 30 GGEDMM COc1cccc([C@@H](C(=O)[O-])N(C)CC[C@@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646742 994435638 /nfs/dbraw/zinc/43/56/38/994435638.db2.gz FMHYXICTGAGPSD-RBBKRZOGSA-N -1 1 380.444 3.193 20 30 GGEDMM C[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001593262799 994557023 /nfs/dbraw/zinc/55/70/23/994557023.db2.gz WLFBZEGHKAZYPG-SECBINFHSA-N -1 1 378.841 3.046 20 30 GGEDMM C[C@@](NCc1ccc(C#N)cc1OC(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292559 994678698 /nfs/dbraw/zinc/67/86/98/994678698.db2.gz NPZVTLSGZVJJFI-SFHVURJKSA-N -1 1 391.330 3.157 20 30 GGEDMM COc1cc(CN[C@@H](C(=O)[O-])c2ccccc2Br)ccc1C#N ZINC001599414600 997482411 /nfs/dbraw/zinc/48/24/11/997482411.db2.gz JKBFUOFKEMMEDS-MRXNPFEDSA-N -1 1 375.222 3.245 20 30 GGEDMM COc1ccc(-c2n[nH]c(S[C@@H](C(=O)[O-])c3ccc(C#N)cc3)n2)c(OC)c1 ZINC001599471868 998464859 /nfs/dbraw/zinc/46/48/59/998464859.db2.gz HEAUKUQNYCEDTC-MRXNPFEDSA-N -1 1 396.428 3.279 20 30 GGEDMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000058419250 527103726 /nfs/dbraw/zinc/10/37/26/527103726.db2.gz JSEYYBGFGWITSL-ZIAGYGMSSA-N -1 1 383.242 3.217 20 30 GGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000008294901 564247956 /nfs/dbraw/zinc/24/79/56/564247956.db2.gz HHFGRYFMUZMYCM-UHFFFAOYSA-N -1 1 395.278 3.166 20 30 GGEDMM C=CCCS(=O)(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000120059114 564301712 /nfs/dbraw/zinc/30/17/12/564301712.db2.gz STSZMWBAQLLWSM-UHFFFAOYSA-N -1 1 380.491 3.114 20 30 GGEDMM C=CCCS(=O)(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000120056550 564302050 /nfs/dbraw/zinc/30/20/50/564302050.db2.gz NABFLSLEZKBCJF-UHFFFAOYSA-N -1 1 380.491 3.114 20 30 GGEDMM C=CCCS(=O)(=O)[N-]c1cc(Br)cnc1OCC(F)(F)F ZINC000120214995 564309688 /nfs/dbraw/zinc/30/96/88/564309688.db2.gz DXAVIAJWFDUIFL-UHFFFAOYSA-N -1 1 389.193 3.103 20 30 GGEDMM CCc1nnsc1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000028907266 564366030 /nfs/dbraw/zinc/36/60/30/564366030.db2.gz AFSWBPUDHCDOJS-UHFFFAOYSA-N -1 1 379.243 3.284 20 30 GGEDMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)ccc2NC1=O ZINC000122007447 564396400 /nfs/dbraw/zinc/39/64/00/564396400.db2.gz TVTMEJCBSFOINV-UHFFFAOYSA-N -1 1 375.837 3.242 20 30 GGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000123713353 564459164 /nfs/dbraw/zinc/45/91/64/564459164.db2.gz NSQKUHXKLNWLKC-UHFFFAOYSA-N -1 1 376.800 3.337 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1c(F)cccc1Cl ZINC000124638371 564488294 /nfs/dbraw/zinc/48/82/94/564488294.db2.gz QYXIBEXCFAQAMB-SECBINFHSA-N -1 1 383.788 3.298 20 30 GGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(I)cc1 ZINC000049487721 564552068 /nfs/dbraw/zinc/55/20/68/564552068.db2.gz GMZOUBIUMWDPDK-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c1 ZINC000055558216 564624265 /nfs/dbraw/zinc/62/42/65/564624265.db2.gz DKAIIGGLGDZFGU-UHFFFAOYSA-N -1 1 380.853 3.065 20 30 GGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1 ZINC000055664153 564628352 /nfs/dbraw/zinc/62/83/52/564628352.db2.gz BMDAXKQQYSQTEZ-UHFFFAOYSA-N -1 1 395.278 3.166 20 30 GGEDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000057121164 564660673 /nfs/dbraw/zinc/66/06/73/564660673.db2.gz LCWFAKQLNVUMNE-UHFFFAOYSA-N -1 1 377.853 3.152 20 30 GGEDMM Cc1cc(I)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000057432202 564667966 /nfs/dbraw/zinc/66/79/66/564667966.db2.gz UCKOUSOEGBYKEF-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM CN(CCC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000060617573 564701291 /nfs/dbraw/zinc/70/12/91/564701291.db2.gz QSARUQGXOCMZOT-UHFFFAOYSA-N -1 1 377.853 3.126 20 30 GGEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000132873513 564756073 /nfs/dbraw/zinc/75/60/73/564756073.db2.gz RHLGOGQDNMOFLH-UHFFFAOYSA-N -1 1 379.235 3.152 20 30 GGEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Br)cc2-n2cncn2)n1 ZINC000136094449 564844967 /nfs/dbraw/zinc/84/49/67/564844967.db2.gz BUFPUWSWSQKLRV-GFCCVEGCSA-N -1 1 388.250 3.285 20 30 GGEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1F ZINC000098092816 564912136 /nfs/dbraw/zinc/91/21/36/564912136.db2.gz MINCVVBEJKNHSM-UHFFFAOYSA-N -1 1 384.816 3.177 20 30 GGEDMM N#CCN1CCC(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000151823902 564938538 /nfs/dbraw/zinc/93/85/38/564938538.db2.gz LUCHCQUKQSINOL-UHFFFAOYSA-N -1 1 396.727 3.161 20 30 GGEDMM C=C[C@@H](C)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000152741122 564969449 /nfs/dbraw/zinc/96/94/49/564969449.db2.gz WXZXBNWAWJMORU-ZCFIWIBFSA-N -1 1 387.068 3.204 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)cc1Cl ZINC000108359936 565010030 /nfs/dbraw/zinc/01/00/30/565010030.db2.gz BHNDPIWRPGXDKS-UHFFFAOYSA-N -1 1 375.837 3.361 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1OC ZINC000153967566 565019245 /nfs/dbraw/zinc/01/92/45/565019245.db2.gz KYXPADJKFXWBHJ-UHFFFAOYSA-N -1 1 397.250 3.139 20 30 GGEDMM CC(C)COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000183623815 565083740 /nfs/dbraw/zinc/08/37/40/565083740.db2.gz IQWJYTKFCZOESU-HNNXBMFYSA-N -1 1 382.869 3.497 20 30 GGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC000186988330 565300135 /nfs/dbraw/zinc/30/01/35/565300135.db2.gz XURBZECXCGQHIM-UHFFFAOYSA-N -1 1 375.793 3.192 20 30 GGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1Br ZINC000188250302 565390985 /nfs/dbraw/zinc/39/09/85/565390985.db2.gz CGMOOWVCIMVNBH-UHFFFAOYSA-N -1 1 394.250 3.080 20 30 GGEDMM COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000171751375 565448458 /nfs/dbraw/zinc/44/84/58/565448458.db2.gz GEWVCVUDRCONMA-UHFFFAOYSA-N -1 1 378.837 3.118 20 30 GGEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190417085 565531347 /nfs/dbraw/zinc/53/13/47/565531347.db2.gz AEESDSHGKQJVIO-IRXDYDNUSA-N -1 1 377.227 3.301 20 30 GGEDMM Cc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000320333261 565602250 /nfs/dbraw/zinc/60/22/50/565602250.db2.gz ZREYGZOUEUZHHB-UHFFFAOYSA-N -1 1 395.234 3.128 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C2CCC(F)(F)CC2)cc1Br ZINC000408461594 565610532 /nfs/dbraw/zinc/61/05/32/565610532.db2.gz VZFUBXAAJCMMFD-UHFFFAOYSA-N -1 1 397.216 3.316 20 30 GGEDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)s1 ZINC000409501255 565620520 /nfs/dbraw/zinc/62/05/20/565620520.db2.gz MDFIQAQGUQRYER-UHFFFAOYSA-N -1 1 390.412 3.030 20 30 GGEDMM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1cc(Br)ccc1[O-] ZINC000328596553 565635657 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N#Cc1cc([O-])cc(C(=O)Nc2cnn(-c3ccccc3Br)c2)c1 ZINC000614373811 567107144 /nfs/dbraw/zinc/10/71/44/567107144.db2.gz AYMSKCBMOUPVOI-UHFFFAOYSA-N -1 1 383.205 3.464 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2Cl)o1 ZINC000588112227 567115752 /nfs/dbraw/zinc/11/57/52/567115752.db2.gz NHACJBPWVDJXNO-UHFFFAOYSA-N -1 1 375.631 3.046 20 30 GGEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3ccc(Br)c([O-])c3)CCO2)c1 ZINC000497714414 567118896 /nfs/dbraw/zinc/11/88/96/567118896.db2.gz SXNYERBUSWIXBN-KRWDZBQOSA-N -1 1 387.233 3.240 20 30 GGEDMM O=S(=O)([N-]C1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cncc(F)c1 ZINC000588904739 567144018 /nfs/dbraw/zinc/14/40/18/567144018.db2.gz FEAQDESPEBZQQW-YUMQZZPRSA-N -1 1 394.312 3.409 20 30 GGEDMM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000474396991 567168799 /nfs/dbraw/zinc/16/87/99/567168799.db2.gz XHUXCVIFZUZMFR-UHFFFAOYSA-N -1 1 376.821 3.445 20 30 GGEDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)[nH]n1 ZINC000474423628 567170215 /nfs/dbraw/zinc/17/02/15/567170215.db2.gz AEOZOKOPNZNHKS-UHFFFAOYSA-N -1 1 397.298 3.433 20 30 GGEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000546918705 567171837 /nfs/dbraw/zinc/17/18/37/567171837.db2.gz VRERPSMLGHODBZ-BMIGLBTASA-N -1 1 384.217 3.199 20 30 GGEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000546918709 567172003 /nfs/dbraw/zinc/17/20/03/567172003.db2.gz VRERPSMLGHODBZ-ZUZCIYMTSA-N -1 1 384.217 3.199 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1F ZINC000432767380 567187136 /nfs/dbraw/zinc/18/71/36/567187136.db2.gz SRIHUPPJUGXXMQ-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432774798 567188542 /nfs/dbraw/zinc/18/85/42/567188542.db2.gz DYNRAYXXIVTOFO-UHFFFAOYSA-N -1 1 376.235 3.188 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1OC ZINC000432771332 567189231 /nfs/dbraw/zinc/18/92/31/567189231.db2.gz WIZRPWDXEZLMRX-UHFFFAOYSA-N -1 1 397.250 3.139 20 30 GGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432773058 567189276 /nfs/dbraw/zinc/18/92/76/567189276.db2.gz ZHSJHCMUPOXDSF-UHFFFAOYSA-N -1 1 376.235 3.302 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1Br ZINC000432773418 567189314 /nfs/dbraw/zinc/18/93/14/567189314.db2.gz GAUQQDUFZJXCBI-UHFFFAOYSA-N -1 1 380.198 3.132 20 30 GGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1F ZINC000432780732 567190028 /nfs/dbraw/zinc/19/00/28/567190028.db2.gz LMXOVHAHQMISGT-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM Cn1cnc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Br)c3)ccc21 ZINC000432962910 567209549 /nfs/dbraw/zinc/20/95/49/567209549.db2.gz YDGDJZZRXGLAHH-UHFFFAOYSA-N -1 1 391.250 3.008 20 30 GGEDMM C[C@@]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)(C1CC1)C(F)(F)F ZINC000432964863 567210066 /nfs/dbraw/zinc/21/00/66/567210066.db2.gz JTJHWWFYFBHZDS-GFCCVEGCSA-N -1 1 397.216 3.330 20 30 GGEDMM Cc1nn2cc(S(=O)(=O)[N-]c3cc(C#N)ccc3Cl)cnc2c1Cl ZINC000499268638 567234194 /nfs/dbraw/zinc/23/41/94/567234194.db2.gz AAUHQVPMMWQFTF-UHFFFAOYSA-N -1 1 382.232 3.017 20 30 GGEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000616456912 567247060 /nfs/dbraw/zinc/24/70/60/567247060.db2.gz FPVBOLGWAWHPTK-IRXDYDNUSA-N -1 1 377.227 3.301 20 30 GGEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000616456911 567247297 /nfs/dbraw/zinc/24/72/97/567247297.db2.gz FPVBOLGWAWHPTK-IAGOWNOFSA-N -1 1 377.227 3.301 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(Br)c1 ZINC000475794104 567277477 /nfs/dbraw/zinc/27/74/77/567277477.db2.gz HFNLLFJOQDUVMM-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2CC#N)cc(Cl)c1F ZINC000475803234 567279202 /nfs/dbraw/zinc/27/92/02/567279202.db2.gz BNVATJXPYDULTP-UHFFFAOYSA-N -1 1 382.800 3.133 20 30 GGEDMM C=C(CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000685855101 567305998 /nfs/dbraw/zinc/30/59/98/567305998.db2.gz CZOVWDJARGKTDW-UHFFFAOYSA-N -1 1 399.299 3.101 20 30 GGEDMM CC1(C)CCCN(C(=O)c2ccc(I)c([O-])c2)[C@H]1C#N ZINC000434437164 567308879 /nfs/dbraw/zinc/30/88/79/567308879.db2.gz BSICXXZVKAAUTO-ZDUSSCGKSA-N -1 1 384.217 3.151 20 30 GGEDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000476278340 567310735 /nfs/dbraw/zinc/31/07/35/567310735.db2.gz NCOSNCUXGCKHBJ-UHFFFAOYSA-N -1 1 378.837 3.416 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)c(Cl)c2)ccc1C#N ZINC000435719885 567385761 /nfs/dbraw/zinc/38/57/61/567385761.db2.gz RMBZJAMNRPSCKY-UHFFFAOYSA-N -1 1 377.853 3.023 20 30 GGEDMM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000569846599 567437582 /nfs/dbraw/zinc/43/75/82/567437582.db2.gz UOOYLANPWNAWTL-QFYYESIMSA-N -1 1 393.262 3.121 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)c1 ZINC000619423178 567451223 /nfs/dbraw/zinc/45/12/23/567451223.db2.gz ZGCYWPZBLGQOAP-XJKSGUPXSA-N -1 1 375.197 3.451 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3cc(Br)cc(F)c3C2)c1 ZINC000619458535 567454643 /nfs/dbraw/zinc/45/46/43/567454643.db2.gz SIKNAQFXAUFCPJ-UHFFFAOYSA-N -1 1 375.197 3.364 20 30 GGEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1Cl ZINC000619462103 567455626 /nfs/dbraw/zinc/45/56/26/567455626.db2.gz BXXQSDQWLHFCGY-UHFFFAOYSA-N -1 1 378.837 3.384 20 30 GGEDMM COCCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000619462092 567455781 /nfs/dbraw/zinc/45/57/81/567455781.db2.gz AAIZGBLRBYCUFK-UHFFFAOYSA-N -1 1 380.853 3.232 20 30 GGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(I)cc2)c1 ZINC000619461203 567456223 /nfs/dbraw/zinc/45/62/23/567456223.db2.gz UVSXDFCPXJQWMC-UHFFFAOYSA-N -1 1 398.225 3.158 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCc3cc(Br)cc(F)c3C2)cc1[O-] ZINC000478528364 567464135 /nfs/dbraw/zinc/46/41/35/567464135.db2.gz QDYSJZFYBACBDR-UHFFFAOYSA-N -1 1 375.197 3.364 20 30 GGEDMM CC1(C)CCCN(C(=O)c2cc(I)ccc2[O-])[C@@H]1C#N ZINC000436916419 567466041 /nfs/dbraw/zinc/46/60/41/567466041.db2.gz WIHYDKJMLSUYRU-CYBMUJFWSA-N -1 1 384.217 3.151 20 30 GGEDMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1F ZINC000478709223 567477095 /nfs/dbraw/zinc/47/70/95/567477095.db2.gz JMVHWYOUOTYXFE-UHFFFAOYSA-N -1 1 386.763 3.077 20 30 GGEDMM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Br)c2F)C1 ZINC000570386291 567480846 /nfs/dbraw/zinc/48/08/46/567480846.db2.gz LXTYLCRLEFPJDG-YGRLFVJLSA-N -1 1 375.263 3.339 20 30 GGEDMM C=CCc1cc(C(=O)N=c2[nH][n-]c(CC)c2Br)cc(OC)c1OC ZINC000478809594 567484137 /nfs/dbraw/zinc/48/41/37/567484137.db2.gz AVFIRQDBABSUOD-UHFFFAOYSA-N -1 1 394.269 3.155 20 30 GGEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c1F ZINC000594576895 567486843 /nfs/dbraw/zinc/48/68/43/567486843.db2.gz HWQPHSNWOZNFSH-QFYYESIMSA-N -1 1 388.848 3.016 20 30 GGEDMM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000479168512 567511275 /nfs/dbraw/zinc/51/12/75/567511275.db2.gz YOFXHKMHJCWBLI-IINYFYTJSA-N -1 1 375.263 3.339 20 30 GGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000437936286 567515351 /nfs/dbraw/zinc/51/53/51/567515351.db2.gz SASSXHANODJMGU-UHFFFAOYSA-N -1 1 379.800 3.036 20 30 GGEDMM N#CC1(CS(=O)(=O)[N-]C[C@H](OC2CCCC2)C(F)(F)F)CCCCC1 ZINC000594819705 567516817 /nfs/dbraw/zinc/51/68/17/567516817.db2.gz UKBPHMVFJNPOFA-AWEZNQCLSA-N -1 1 382.448 3.270 20 30 GGEDMM Cc1cc(S(C)(=O)=O)cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000479260584 567518630 /nfs/dbraw/zinc/51/86/30/567518630.db2.gz SJRPUYYBNBZWJM-UHFFFAOYSA-N -1 1 398.893 3.033 20 30 GGEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000479468140 567537089 /nfs/dbraw/zinc/53/70/89/567537089.db2.gz MRVUHWPCFBBYIO-UHFFFAOYSA-N -1 1 380.809 3.028 20 30 GGEDMM Cc1cccc(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)c1C#N ZINC000504665718 567542694 /nfs/dbraw/zinc/54/26/94/567542694.db2.gz KLRJIROQTFBJBC-GFCCVEGCSA-N -1 1 376.459 3.233 20 30 GGEDMM Cc1cccc(S(=O)(=O)Nc2ccc(S[C@@H](C)C(=O)[O-])cc2)c1C#N ZINC000504665719 567543438 /nfs/dbraw/zinc/54/34/38/567543438.db2.gz KLRJIROQTFBJBC-LBPRGKRZSA-N -1 1 376.459 3.233 20 30 GGEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438812774 567547260 /nfs/dbraw/zinc/54/72/60/567547260.db2.gz QBHQVDBTHPTNGG-UHFFFAOYSA-N -1 1 380.809 3.109 20 30 GGEDMM C=CCCOCC(=O)Nc1cc([O-])c(Br)cc1Br ZINC000665449440 567625494 /nfs/dbraw/zinc/62/54/94/567625494.db2.gz NBAMEGNQTADPFF-UHFFFAOYSA-N -1 1 379.048 3.448 20 30 GGEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1C ZINC000506585351 567632653 /nfs/dbraw/zinc/63/26/53/567632653.db2.gz WSHCEKWWQLAUEZ-UHFFFAOYSA-N -1 1 378.837 3.498 20 30 GGEDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000506813487 567644756 /nfs/dbraw/zinc/64/47/56/567644756.db2.gz GLDULSLDKASPQK-UHFFFAOYSA-N -1 1 378.837 3.118 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]CCc2csc(-c3ccc(Cl)cc3)n2)o1 ZINC000553531294 567662462 /nfs/dbraw/zinc/66/24/62/567662462.db2.gz MBNKRPQPORVEKF-UHFFFAOYSA-N -1 1 393.877 3.449 20 30 GGEDMM COCCC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000553541190 567663922 /nfs/dbraw/zinc/66/39/22/567663922.db2.gz DFZFXMBXVYRBCL-CQSZACIVSA-N -1 1 382.869 3.293 20 30 GGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000507921926 567715994 /nfs/dbraw/zinc/71/59/94/567715994.db2.gz PEVXBFUNXUJVOL-UHFFFAOYSA-N -1 1 384.230 3.302 20 30 GGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000507922307 567716320 /nfs/dbraw/zinc/71/63/20/567716320.db2.gz PNKGKPWHTKFSFC-SNVBAGLBSA-N -1 1 377.853 3.378 20 30 GGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Br)cc1C ZINC000507983313 567721212 /nfs/dbraw/zinc/72/12/12/567721212.db2.gz IPHJJLKDHAEGGJ-UHFFFAOYSA-N -1 1 380.267 3.472 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)cc1Br ZINC000573560645 567722050 /nfs/dbraw/zinc/72/20/50/567722050.db2.gz LPFRLIVOFDPQRL-NXEZZACHSA-N -1 1 379.226 3.019 20 30 GGEDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1 ZINC000508080970 567726590 /nfs/dbraw/zinc/72/65/90/567726590.db2.gz BISXBBQDUBHAKP-UHFFFAOYSA-N -1 1 395.278 3.310 20 30 GGEDMM N#Cc1sccc1N1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000597932925 567727457 /nfs/dbraw/zinc/72/74/57/567727457.db2.gz INPQIPXMTYVGIP-UHFFFAOYSA-N -1 1 392.278 3.050 20 30 GGEDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1 ZINC000508096755 567728783 /nfs/dbraw/zinc/72/87/83/567728783.db2.gz ODYLBXYYLIFWSU-UHFFFAOYSA-N -1 1 381.251 3.268 20 30 GGEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1cccc(Br)c1 ZINC000443292477 567746127 /nfs/dbraw/zinc/74/61/27/567746127.db2.gz HMHZURCPPVSPCS-LLVKDONJSA-N -1 1 375.222 3.224 20 30 GGEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1cccc(Br)c1 ZINC000443292478 567746229 /nfs/dbraw/zinc/74/62/29/567746229.db2.gz HMHZURCPPVSPCS-NSHDSACASA-N -1 1 375.222 3.224 20 30 GGEDMM N#C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C1CCCCC1 ZINC000574304797 567770612 /nfs/dbraw/zinc/77/06/12/567770612.db2.gz ZXQZQPBHWAPWIK-LBPRGKRZSA-N -1 1 375.263 3.339 20 30 GGEDMM N#C[C@H](C(=O)COC1CCCCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048817855 570254867 /nfs/dbraw/zinc/25/48/67/570254867.db2.gz SXGRFTAHNCQUPJ-CQSZACIVSA-N -1 1 385.489 3.389 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3ccccc3OC)n2)n[n-]c1=S ZINC000012943254 570315846 /nfs/dbraw/zinc/31/58/46/570315846.db2.gz HGJGAIRBVYOZCG-UHFFFAOYSA-N -1 1 387.490 3.435 20 30 GGEDMM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735390986 599002550 /nfs/dbraw/zinc/00/25/50/599002550.db2.gz JVXYHHPBNGTVRE-UHFFFAOYSA-N -1 1 380.411 3.090 20 30 GGEDMM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000735390986 599002553 /nfs/dbraw/zinc/00/25/53/599002553.db2.gz JVXYHHPBNGTVRE-UHFFFAOYSA-N -1 1 380.411 3.090 20 30 GGEDMM COc1ccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc1Cl ZINC000737083281 599067680 /nfs/dbraw/zinc/06/76/80/599067680.db2.gz OCZPLCMFPDKPJI-UHFFFAOYSA-N -1 1 375.820 3.161 20 30 GGEDMM N#C[C@@H](NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1)C1CC1 ZINC000737673940 599203473 /nfs/dbraw/zinc/20/34/73/599203473.db2.gz FDNCHBPIYCVVSW-OAHLLOKOSA-N -1 1 394.822 3.344 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000484495877 597206373 /nfs/dbraw/zinc/20/63/73/597206373.db2.gz GXRYHCJGJGGWJY-UHFFFAOYSA-N -1 1 384.335 3.005 20 30 GGEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000819856704 598224690 /nfs/dbraw/zinc/22/46/90/598224690.db2.gz MAZABYRJTDQGSH-LJQANCHMSA-N -1 1 384.342 3.451 20 30 GGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(OCCCC#N)c2)o1 ZINC000735851336 598362854 /nfs/dbraw/zinc/36/28/54/598362854.db2.gz QAMVMKPEASIZOY-UHFFFAOYSA-N -1 1 394.439 3.182 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736513554 598400148 /nfs/dbraw/zinc/40/01/48/598400148.db2.gz QETBDZDNWQPFJY-ZDUSSCGKSA-N -1 1 394.410 3.420 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736513554 598400149 /nfs/dbraw/zinc/40/01/49/598400149.db2.gz QETBDZDNWQPFJY-ZDUSSCGKSA-N -1 1 394.410 3.420 20 30 GGEDMM CCC[C@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736415621 598401843 /nfs/dbraw/zinc/40/18/43/598401843.db2.gz HMJISMCLHUYACA-CYBMUJFWSA-N -1 1 380.383 3.220 20 30 GGEDMM CCC[C@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000736415621 598401844 /nfs/dbraw/zinc/40/18/44/598401844.db2.gz HMJISMCLHUYACA-CYBMUJFWSA-N -1 1 380.383 3.220 20 30 GGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cc(F)c(F)c(F)c2)o1 ZINC000735451111 598417547 /nfs/dbraw/zinc/41/75/47/598417547.db2.gz PBHILEHCZSEAPT-UHFFFAOYSA-N -1 1 379.346 3.307 20 30 GGEDMM S=C(NN=Cc1ccc(-c2nnn[n-]2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000823731893 599333270 /nfs/dbraw/zinc/33/32/70/599333270.db2.gz HFCHPUIBFZECBB-UHFFFAOYSA-N -1 1 382.236 3.087 20 30 GGEDMM S=C(NN=Cc1ccc(-c2nn[n-]n2)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000823731893 599333272 /nfs/dbraw/zinc/33/32/72/599333272.db2.gz HFCHPUIBFZECBB-UHFFFAOYSA-N -1 1 382.236 3.087 20 30 GGEDMM Cc1cccc(S(=O)(=O)Nc2ccccc2SCCC#N)c1C(=O)[O-] ZINC000738744450 599839514 /nfs/dbraw/zinc/83/95/14/599839514.db2.gz LSUKOXUXZASPAU-UHFFFAOYSA-N -1 1 376.459 3.500 20 30 GGEDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000738347424 600051716 /nfs/dbraw/zinc/05/17/16/600051716.db2.gz LMNDDESJFHIKIS-UHFFFAOYSA-N -1 1 399.453 3.489 20 30 GGEDMM C#CCOc1cccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000736088681 600052733 /nfs/dbraw/zinc/05/27/33/600052733.db2.gz ALKZWRUWBYCEBX-UHFFFAOYSA-N -1 1 387.438 3.412 20 30 GGEDMM N#CCOc1cccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c1 ZINC000739086949 600053349 /nfs/dbraw/zinc/05/33/49/600053349.db2.gz DWNGURWVFLQPGU-UHFFFAOYSA-N -1 1 388.426 3.303 20 30 GGEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738364603 600295385 /nfs/dbraw/zinc/29/53/85/600295385.db2.gz XLSLCNCAKXZWQJ-MJGOQNOKSA-N -1 1 383.492 3.125 20 30 GGEDMM Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)ccc1C(=O)[O-] ZINC000154424566 600394799 /nfs/dbraw/zinc/39/47/99/600394799.db2.gz TUXFFKFTECDZEV-UHFFFAOYSA-N -1 1 384.335 3.385 20 30 GGEDMM COc1ccc(Cl)cc1CN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738014695 600563585 /nfs/dbraw/zinc/56/35/85/600563585.db2.gz XLXMSTJDXKTCRX-HXUWFJFHSA-N -1 1 399.878 3.164 20 30 GGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000739107595 600564801 /nfs/dbraw/zinc/56/48/01/600564801.db2.gz YBXOTCFQETYSNE-JOCHJYFZSA-N -1 1 386.455 3.050 20 30 GGEDMM COc1cccc([C@H](C)N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738089278 600568967 /nfs/dbraw/zinc/56/89/67/600568967.db2.gz CYVJHOVYMFVNAJ-HRAATJIYSA-N -1 1 379.460 3.071 20 30 GGEDMM COc1cccc([C@@H](C)N2CCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)c1 ZINC000738089290 600569175 /nfs/dbraw/zinc/56/91/75/600569175.db2.gz CYVJHOVYMFVNAJ-IIBYNOLFSA-N -1 1 379.460 3.071 20 30 GGEDMM Cn1cc(S(=O)(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)cc1C(=O)[O-] ZINC000520626364 600814609 /nfs/dbraw/zinc/81/46/09/600814609.db2.gz KCOFCUVYMCKAKY-UHFFFAOYSA-N -1 1 397.412 3.188 20 30 GGEDMM C[C@H](CN(Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827454880 600823273 /nfs/dbraw/zinc/82/32/73/600823273.db2.gz HRDIHEYVGVOLGR-OAHLLOKOSA-N -1 1 376.416 3.331 20 30 GGEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000737195297 600890615 /nfs/dbraw/zinc/89/06/15/600890615.db2.gz YAONXPPRLYGRPD-UHFFFAOYSA-N -1 1 380.809 3.109 20 30 GGEDMM CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000736486061 600890707 /nfs/dbraw/zinc/89/07/07/600890707.db2.gz LMEDIGNTVRQEKQ-UHFFFAOYSA-N -1 1 394.836 3.498 20 30 GGEDMM CN(Cc1cc2c(cc1OC(F)F)OCO2)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737452033 600965995 /nfs/dbraw/zinc/96/59/95/600965995.db2.gz WCXWGQMNDDYYPC-QGZVFWFLSA-N -1 1 390.342 3.146 20 30 GGEDMM CN(Cc1cc2c(cc1OC(F)F)OCO2)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737452032 600966422 /nfs/dbraw/zinc/96/64/22/600966422.db2.gz WCXWGQMNDDYYPC-KRWDZBQOSA-N -1 1 390.342 3.146 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000827217292 601132550 /nfs/dbraw/zinc/13/25/50/601132550.db2.gz BCNAWBMZMUHIHD-GJZGRUSLSA-N -1 1 390.509 3.094 20 30 GGEDMM N#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)C(=O)[O-])cc1 ZINC000833071211 601189323 /nfs/dbraw/zinc/18/93/23/601189323.db2.gz CZWQTDCHLWCBMB-QGZVFWFLSA-N -1 1 388.383 3.203 20 30 GGEDMM COc1ccc(Br)cc1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832152690 601303134 /nfs/dbraw/zinc/30/31/34/601303134.db2.gz KGDKGXOOGKFPJW-INIZCTEOSA-N -1 1 375.222 3.245 20 30 GGEDMM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000833074031 601310876 /nfs/dbraw/zinc/31/08/76/601310876.db2.gz MSLWBWOMFUXDIN-LJQANCHMSA-N -1 1 376.416 3.076 20 30 GGEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000833074177 601313255 /nfs/dbraw/zinc/31/32/55/601313255.db2.gz RAGBCQAFYPHZQI-IBGZPJMESA-N -1 1 397.862 3.185 20 30 GGEDMM C[C@H](c1ccc(F)cc1F)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827934524 601314799 /nfs/dbraw/zinc/31/47/99/601314799.db2.gz HAFWDIJOXBITHV-VLIAUNLRSA-N -1 1 385.414 3.341 20 30 GGEDMM Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1C(=O)[O-] ZINC000484805837 601334489 /nfs/dbraw/zinc/33/44/89/601334489.db2.gz VADRJYIVNIBTAD-UHFFFAOYSA-N -1 1 384.335 3.385 20 30 GGEDMM N#Cc1cccc([C@H](OC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)C(=O)[O-])c1 ZINC000833077190 601355734 /nfs/dbraw/zinc/35/57/34/601355734.db2.gz MMRYCWIDUMSLTH-KRWDZBQOSA-N -1 1 388.383 3.203 20 30 GGEDMM N#Cc1cccc([C@@H](OC(=O)c2ccc(-c3nnc(C4CC4)[nH]3)cc2)C(=O)[O-])c1 ZINC000833077191 601355912 /nfs/dbraw/zinc/35/59/12/601355912.db2.gz MMRYCWIDUMSLTH-QGZVFWFLSA-N -1 1 388.383 3.203 20 30 GGEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)[nH]c21 ZINC000832859484 601500961 /nfs/dbraw/zinc/50/09/61/601500961.db2.gz QYWUZSAMXDOMJY-OAHLLOKOSA-N -1 1 377.400 3.442 20 30 GGEDMM CCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1OC(F)F ZINC000830104681 601642964 /nfs/dbraw/zinc/64/29/64/601642964.db2.gz MHZFFUFDBRTIHT-MRXNPFEDSA-N -1 1 376.359 3.474 20 30 GGEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@@H]2CCCO2)c1 ZINC000832933413 601850974 /nfs/dbraw/zinc/85/09/74/601850974.db2.gz AYSCICXQLSENOJ-FPOVZHCZSA-N -1 1 380.444 3.340 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN2CCCC[C@H]2CC(=O)[O-])ccc1Cl ZINC000832888844 601857166 /nfs/dbraw/zinc/85/71/66/601857166.db2.gz LQEMZZBLMAUWEG-HNNXBMFYSA-N -1 1 377.872 3.224 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000174739099 601987607 /nfs/dbraw/zinc/98/76/07/601987607.db2.gz ZRTWFPZKQLCASP-UHFFFAOYSA-N -1 1 384.335 3.005 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000533624580 602321154 /nfs/dbraw/zinc/32/11/54/602321154.db2.gz ATWYGBSQFDQEGM-UHFFFAOYSA-N -1 1 388.298 3.215 20 30 GGEDMM C=CCOc1c(Br)cc(CN2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000263399399 604651899 /nfs/dbraw/zinc/65/18/99/604651899.db2.gz HPDJEMCOCDTQHL-CQSZACIVSA-N -1 1 384.270 3.462 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc1OC ZINC000833377618 604866324 /nfs/dbraw/zinc/86/63/24/604866324.db2.gz FWLCTNKWNRCLLX-CSKARUKUSA-N -1 1 393.399 3.486 20 30 GGEDMM CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cccc(C(=O)[O-])c3C#N)C2)CC1 ZINC000833435953 605019703 /nfs/dbraw/zinc/01/97/03/605019703.db2.gz ADNUDCNGADLROM-UHFFFAOYSA-N -1 1 399.491 3.479 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833472997 605058609 /nfs/dbraw/zinc/05/86/09/605058609.db2.gz YJSZXYKMPDWHHT-KRWDZBQOSA-N -1 1 378.388 3.175 20 30 GGEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000812445566 605101138 /nfs/dbraw/zinc/10/11/38/605101138.db2.gz ZWXCKMNRRVRUQN-UHFFFAOYSA-N -1 1 381.432 3.222 20 30 GGEDMM CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000833386595 605156134 /nfs/dbraw/zinc/15/61/34/605156134.db2.gz MGGQAQOZZVOCEN-UHFFFAOYSA-N -1 1 381.841 3.246 20 30 GGEDMM CC(C)C[C@@H](NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833478693 605224885 /nfs/dbraw/zinc/22/48/85/605224885.db2.gz UDJFVJAIFZZDIN-IIBYNOLFSA-N -1 1 393.487 3.491 20 30 GGEDMM C=C(C)COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000833369673 605325415 /nfs/dbraw/zinc/32/54/15/605325415.db2.gz AQODQQUBXHIKNU-UHFFFAOYSA-N -1 1 392.389 3.049 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833402626 605598269 /nfs/dbraw/zinc/59/82/69/605598269.db2.gz RKSMJQAZGUJFCA-SNVBAGLBSA-N -1 1 380.809 3.130 20 30 GGEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833402678 605598305 /nfs/dbraw/zinc/59/83/05/605598305.db2.gz SEWKEOKGQDUTLS-LBPRGKRZSA-N -1 1 397.412 3.025 20 30 GGEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833402625 605598404 /nfs/dbraw/zinc/59/84/04/605598404.db2.gz RKSMJQAZGUJFCA-JTQLQIEISA-N -1 1 380.809 3.130 20 30 GGEDMM FC(F)(F)c1nc2ccccc2c(N=NCc2ccc(-c3nn[n-]n3)s2)n1 ZINC000822728323 606369258 /nfs/dbraw/zinc/36/92/58/606369258.db2.gz GXTKJEJJMZVSHP-UHFFFAOYSA-N -1 1 390.354 3.336 20 30 GGEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2ccc(Br)cc21 ZINC000823503061 606389743 /nfs/dbraw/zinc/38/97/43/606389743.db2.gz ASMJNDXHHGEBFF-VMPITWQZSA-N -1 1 389.234 3.349 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cnn1-c1ccc(C#N)cc1 ZINC000822014871 606392421 /nfs/dbraw/zinc/39/24/21/606392421.db2.gz ANDSAOFQNXNSQQ-VURMDHGXSA-N -1 1 387.428 3.190 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2nc3cc(Cl)ccc3n2C)o1 ZINC000819781590 606433332 /nfs/dbraw/zinc/43/33/32/606433332.db2.gz AGUMGLYVLXFGDH-UHFFFAOYSA-N -1 1 399.846 3.354 20 30 GGEDMM Cc1cc(Oc2ncccc2-c2nn[n-]n2)ccc1NC(=O)C1(C#N)CC(C)C1 ZINC000822211909 606864894 /nfs/dbraw/zinc/86/48/94/606864894.db2.gz STAPMXSKSJFFFO-UHFFFAOYSA-N -1 1 389.419 3.241 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2c[nH]nc2-c2cccc(Cl)c2)o1 ZINC000824352835 607886566 /nfs/dbraw/zinc/88/65/66/607886566.db2.gz PSXCMRCJBBUKHC-UHFFFAOYSA-N -1 1 397.830 3.468 20 30 GGEDMM Cn1c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)nc2ccc(Cl)cc21 ZINC000826355157 608110584 /nfs/dbraw/zinc/11/05/84/608110584.db2.gz MTDCOLOZBHUPKM-UHFFFAOYSA-N -1 1 399.846 3.138 20 30 GGEDMM C#CCCCCC(=O)Nc1ccc(Oc2ncccc2-c2nn[n-]n2)cc1C ZINC000823837529 608292449 /nfs/dbraw/zinc/29/24/49/608292449.db2.gz DRZGSSFYSVFQQO-UHFFFAOYSA-N -1 1 376.420 3.495 20 30 GGEDMM Cc1cccc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)c1OC(F)F ZINC000826297798 609304138 /nfs/dbraw/zinc/30/41/38/609304138.db2.gz SRDPGIMYWGWZHH-UHFFFAOYSA-N -1 1 391.382 3.409 20 30 GGEDMM C=CCCC[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823894141 609357478 /nfs/dbraw/zinc/35/74/78/609357478.db2.gz IOOUGILAGGGSDY-GFCCVEGCSA-N -1 1 384.419 3.058 20 30 GGEDMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(CNc2cccc(C#N)n2)cc1 ZINC000824662440 609593829 /nfs/dbraw/zinc/59/38/29/609593829.db2.gz KHZNMSKLTUUUEF-AWEZNQCLSA-N -1 1 397.446 3.314 20 30 GGEDMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(CNc2cccc(C#N)n2)cc1 ZINC000824662440 609593831 /nfs/dbraw/zinc/59/38/31/609593831.db2.gz KHZNMSKLTUUUEF-AWEZNQCLSA-N -1 1 397.446 3.314 20 30 GGEDMM N#C[C@@H](C(=O)c1ccnc(Cl)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000054429668 1406734320 /nfs/dbraw/zinc/73/43/20/1406734320.db2.gz VCPCGOWXLBFIHB-NSHDSACASA-N -1 1 384.848 3.402 20 30 GGEDMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)o1 ZINC000055429983 1406960993 /nfs/dbraw/zinc/96/09/93/1406960993.db2.gz KXHJFQZNUPENHN-UHFFFAOYSA-N -1 1 397.412 3.104 20 30 GGEDMM C=CCNc1nc(C(=O)OCc2cc(=O)oc3cc([O-])c(CC)cc23)cs1 ZINC000010135481 1398876783 /nfs/dbraw/zinc/87/67/83/1398876783.db2.gz DEOCSCVDWSUZMA-UHFFFAOYSA-N -1 1 386.429 3.472 20 30 GGEDMM CCC(Nc1sc(C)c(C)c1C#N)=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000010383545 1398889278 /nfs/dbraw/zinc/88/92/78/1398889278.db2.gz GBBGYPRYQHIRIJ-BUHFOSPRSA-N -1 1 390.534 3.212 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000055557064 1407000856 /nfs/dbraw/zinc/00/08/56/1407000856.db2.gz QJKWDDLISSGNSA-UHFFFAOYSA-N -1 1 399.516 3.394 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000055598246 1407021055 /nfs/dbraw/zinc/02/10/55/1407021055.db2.gz OYCDDZOTZTWRCN-UHFFFAOYSA-N -1 1 382.388 3.005 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)CCc3cccnc3)n2)n[n-]c1=S ZINC000023041874 1399528153 /nfs/dbraw/zinc/52/81/53/1399528153.db2.gz INKCPCASHXPHBN-UHFFFAOYSA-N -1 1 386.506 3.140 20 30 GGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000055640113 1407037044 /nfs/dbraw/zinc/03/70/44/1407037044.db2.gz PLLWBJXNVVURQX-UHFFFAOYSA-N -1 1 388.445 3.331 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000055650918 1407042638 /nfs/dbraw/zinc/04/26/38/1407042638.db2.gz YAVAATJKXLRZQX-UHFFFAOYSA-N -1 1 383.473 3.375 20 30 GGEDMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000055651422 1407042744 /nfs/dbraw/zinc/04/27/44/1407042744.db2.gz AVZYAHIOXKPFNU-OAHLLOKOSA-N -1 1 383.473 3.374 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c1 ZINC000055652176 1407043300 /nfs/dbraw/zinc/04/33/00/1407043300.db2.gz PEFVTDFEDYZQCO-UHFFFAOYSA-N -1 1 388.489 3.499 20 30 GGEDMM N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1N ZINC000024578425 1399645673 /nfs/dbraw/zinc/64/56/73/1399645673.db2.gz AXMCWYBWDYJZRL-UHFFFAOYSA-N -1 1 393.472 3.006 20 30 GGEDMM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000055663292 1407047770 /nfs/dbraw/zinc/04/77/70/1407047770.db2.gz JTODKPRZLSHMBN-UHFFFAOYSA-N -1 1 391.880 3.398 20 30 GGEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000025312120 1399797045 /nfs/dbraw/zinc/79/70/45/1399797045.db2.gz OREMNLMRLZVNFW-UHFFFAOYSA-N -1 1 376.478 3.185 20 30 GGEDMM CCCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000056484325 1407345703 /nfs/dbraw/zinc/34/57/03/1407345703.db2.gz YRNMFMUMXFTPNW-UHFFFAOYSA-N -1 1 375.425 3.002 20 30 GGEDMM CCCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000056484294 1407345816 /nfs/dbraw/zinc/34/58/16/1407345816.db2.gz USUZAFDZTMIGPS-UHFFFAOYSA-N -1 1 389.452 3.311 20 30 GGEDMM C[C@@H](C#N)CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000045851109 1404224237 /nfs/dbraw/zinc/22/42/37/1404224237.db2.gz QLCWSYKNNJUJAE-ZDUSSCGKSA-N -1 1 391.880 3.372 20 30 GGEDMM C[C@H](C#N)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000045851134 1404224859 /nfs/dbraw/zinc/22/48/59/1404224859.db2.gz NOROKKYDGUWWRZ-CYBMUJFWSA-N -1 1 391.880 3.372 20 30 GGEDMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(C#N)c2N)cc1 ZINC000046406165 1404404110 /nfs/dbraw/zinc/40/41/10/1404404110.db2.gz ZANOMLRQYLNTPB-UHFFFAOYSA-N -1 1 381.461 3.079 20 30 GGEDMM N#C[C@H](C(=O)Cc1ccc(F)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707071 1404559812 /nfs/dbraw/zinc/55/98/12/1404559812.db2.gz MQHRRVZWDLZKPT-CQSZACIVSA-N -1 1 381.432 3.421 20 30 GGEDMM C#Cc1cccc(N(C)C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000735390860 1425993261 /nfs/dbraw/zinc/99/32/61/1425993261.db2.gz GASLLMKELJMDQK-UHFFFAOYSA-N -1 1 396.410 3.312 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cnn(-c3cccc(Cl)c3)c2C)o1 ZINC000735451092 1426317890 /nfs/dbraw/zinc/31/78/90/1426317890.db2.gz OUKQWSFHACYORF-UHFFFAOYSA-N -1 1 397.830 3.147 20 30 GGEDMM Cc1nc(C)c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000048816647 1405296408 /nfs/dbraw/zinc/29/64/08/1405296408.db2.gz XPNXBYYUDJQVTD-LLVKDONJSA-N -1 1 384.486 3.427 20 30 GGEDMM CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n[nH]1 ZINC000048817550 1405297421 /nfs/dbraw/zinc/29/74/21/1405297421.db2.gz DTIKRBVFJNNGBK-LLVKDONJSA-N -1 1 381.461 3.200 20 30 GGEDMM N#Cc1ccc(S[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(Cl)c1 ZINC000826386315 1426899511 /nfs/dbraw/zinc/89/95/11/1426899511.db2.gz YWFLUFJMGUBBFL-INIZCTEOSA-N -1 1 396.863 3.289 20 30 GGEDMM CCCCCCCCc1nnc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000736449224 1426937501 /nfs/dbraw/zinc/93/75/01/1426937501.db2.gz RKTONZHIWYXIJS-UHFFFAOYSA-N -1 1 386.485 3.269 20 30 GGEDMM CCCCCCCCc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)s1 ZINC000736449224 1426937505 /nfs/dbraw/zinc/93/75/05/1426937505.db2.gz RKTONZHIWYXIJS-UHFFFAOYSA-N -1 1 386.485 3.269 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1scnc1C(C)(C)C ZINC000819745686 1427255396 /nfs/dbraw/zinc/25/53/96/1427255396.db2.gz PJLFYRHOIKDUID-UHFFFAOYSA-N -1 1 382.493 3.449 20 30 GGEDMM N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826380652 1427350798 /nfs/dbraw/zinc/35/07/98/1427350798.db2.gz IROSDMPIMXLYDS-KSSFIOAISA-N -1 1 389.419 3.473 20 30 GGEDMM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(CCC#N)c1ccccc1 ZINC000736190610 1427371735 /nfs/dbraw/zinc/37/17/35/1427371735.db2.gz GABLYHRXPCOOPD-CYBMUJFWSA-N -1 1 396.451 3.433 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000735420273 1427386412 /nfs/dbraw/zinc/38/64/12/1427386412.db2.gz NYKYHWDBOVXPJV-UHFFFAOYSA-N -1 1 390.447 3.412 20 30 GGEDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c(C)c1 ZINC000050532328 1405594763 /nfs/dbraw/zinc/59/47/63/1405594763.db2.gz PBBKJOJKCNDENQ-UHFFFAOYSA-N -1 1 388.445 3.265 20 30 GGEDMM Cc1nn(-c2ccccc2)cc1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000826332667 1427692008 /nfs/dbraw/zinc/69/20/08/1427692008.db2.gz BWNGQAXOXFGDJD-UHFFFAOYSA-N -1 1 391.439 3.092 20 30 GGEDMM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824516051 1427731925 /nfs/dbraw/zinc/73/19/25/1427731925.db2.gz VNEPIHLORNVKJR-CQSZACIVSA-N -1 1 397.442 3.235 20 30 GGEDMM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000826250017 1427965146 /nfs/dbraw/zinc/96/51/46/1427965146.db2.gz GHJQVJYTTDYWNI-UHFFFAOYSA-N -1 1 397.398 3.486 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735977310 1428089157 /nfs/dbraw/zinc/08/91/57/1428089157.db2.gz VEJQVFKGOZAFDR-ZDUSSCGKSA-N -1 1 393.476 3.312 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000057119310 1407523458 /nfs/dbraw/zinc/52/34/58/1407523458.db2.gz RWKLJCNOXJTENW-UHFFFAOYSA-N -1 1 383.429 3.058 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2)cc1 ZINC000057122910 1407526455 /nfs/dbraw/zinc/52/64/55/1407526455.db2.gz FEGDUBIKAPNREJ-UHFFFAOYSA-N -1 1 383.473 3.422 20 30 GGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OCCOC)c(C)c2)c1 ZINC000057124024 1407528081 /nfs/dbraw/zinc/52/80/81/1407528081.db2.gz TTZIYDHXKPFTEB-UHFFFAOYSA-N -1 1 377.462 3.386 20 30 GGEDMM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400301 1428254929 /nfs/dbraw/zinc/25/49/29/1428254929.db2.gz VBZBTFAEUOPTOP-DAFODLJHSA-N -1 1 386.770 3.327 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000058383790 1407820047 /nfs/dbraw/zinc/82/00/47/1407820047.db2.gz INKUWGIOCXHZGZ-INIZCTEOSA-N -1 1 385.489 3.418 20 30 GGEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)CCCCCC2)no1 ZINC000059829198 1407926511 /nfs/dbraw/zinc/92/65/11/1407926511.db2.gz BQKJBONBANLPQG-UHFFFAOYSA-N -1 1 394.884 3.431 20 30 GGEDMM Cn1cc(C=NNc2cc(F)c(F)cc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360314 1428290675 /nfs/dbraw/zinc/29/06/75/1428290675.db2.gz FYDAJKSFOFYLDR-UHFFFAOYSA-N -1 1 398.352 3.131 20 30 GGEDMM Cn1cc(CN=Nc2cc(F)c(F)cc2F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360314 1428290679 /nfs/dbraw/zinc/29/06/79/1428290679.db2.gz FYDAJKSFOFYLDR-UHFFFAOYSA-N -1 1 398.352 3.131 20 30 GGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cnc2ccc(Cl)cn12 ZINC000823504494 1428311942 /nfs/dbraw/zinc/31/19/42/1428311942.db2.gz QWWDARMYFHCBMD-XYOKQWHBSA-N -1 1 376.807 3.380 20 30 GGEDMM N#Cc1csc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000176453923 1428324930 /nfs/dbraw/zinc/32/49/30/1428324930.db2.gz KXMQLZTXXLVJFD-LLVKDONJSA-N -1 1 380.454 3.287 20 30 GGEDMM N#Cc1csc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000176453937 1428325047 /nfs/dbraw/zinc/32/50/47/1428325047.db2.gz KXMQLZTXXLVJFD-NSHDSACASA-N -1 1 380.454 3.287 20 30 GGEDMM C#Cc1cccc(NC(=S)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000819710209 1428325103 /nfs/dbraw/zinc/32/51/03/1428325103.db2.gz ZHWVEHPCQVSXGH-UHFFFAOYSA-N -1 1 378.461 3.444 20 30 GGEDMM C[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000064346329 1408537574 /nfs/dbraw/zinc/53/75/74/1408537574.db2.gz XXSYMFCMKZKDMS-NSHDSACASA-N -1 1 395.843 3.312 20 30 GGEDMM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1(C#N)CCC1 ZINC000066336715 1408816086 /nfs/dbraw/zinc/81/60/86/1408816086.db2.gz CSVCQHCPNPSQRM-UHFFFAOYSA-N -1 1 387.436 3.145 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCC(=C)C)c2)c1 ZINC000066587665 1408861841 /nfs/dbraw/zinc/86/18/41/1408861841.db2.gz LVVFJGLMSCNVGQ-UHFFFAOYSA-N -1 1 386.473 3.358 20 30 GGEDMM CC(C)n1c(CNC(=O)c2ccc(COc3ccccc3C#N)o2)n[n-]c1=S ZINC000066650150 1408877887 /nfs/dbraw/zinc/87/78/87/1408877887.db2.gz ZLZKFQLOCPOQRL-UHFFFAOYSA-N -1 1 397.460 3.495 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)nnn1-c1ccc(C)cc1 ZINC000822224956 1428382421 /nfs/dbraw/zinc/38/24/21/1428382421.db2.gz HJJPGXVSOYGSDX-YFHOEESVSA-N -1 1 389.394 3.099 20 30 GGEDMM Cc1ccc(-n2cnnc2SCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000067660178 1409200714 /nfs/dbraw/zinc/20/07/14/1409200714.db2.gz JQNPBBNSRRQLEP-UHFFFAOYSA-N -1 1 383.359 3.093 20 30 GGEDMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1(C#N)CCC1 ZINC000067683950 1409206093 /nfs/dbraw/zinc/20/60/93/1409206093.db2.gz ZZTKZGRAOSRNQX-UHFFFAOYSA-N -1 1 387.436 3.145 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000067893889 1409250806 /nfs/dbraw/zinc/25/08/06/1409250806.db2.gz MKRFKZQFRMRQRI-CQSZACIVSA-N -1 1 385.445 3.404 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cccc([N+](=O)[O-])c3[nH]2)n1 ZINC000067897484 1409251819 /nfs/dbraw/zinc/25/18/19/1409251819.db2.gz MDRMJILEDVEKLR-JTQLQIEISA-N -1 1 384.373 3.199 20 30 GGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000068757867 1409486399 /nfs/dbraw/zinc/48/63/99/1409486399.db2.gz NODLZJMUVVBFPV-UHFFFAOYSA-N -1 1 381.358 3.266 20 30 GGEDMM CCOC(=O)Nc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1C#N ZINC000825552647 1428413153 /nfs/dbraw/zinc/41/31/53/1428413153.db2.gz BNJLGYWMLHLGSW-UHFFFAOYSA-N -1 1 381.371 3.058 20 30 GGEDMM C[C@H](C#N)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000176695494 1428414163 /nfs/dbraw/zinc/41/41/63/1428414163.db2.gz COXNJCWOKALEQK-LLVKDONJSA-N -1 1 395.843 3.169 20 30 GGEDMM O=C([N-]S(=O)(=O)c1sccc1Br)c1cccc2cn[nH]c21 ZINC000069363376 1409623235 /nfs/dbraw/zinc/62/32/35/1409623235.db2.gz NSLUILCQMLZJMJ-UHFFFAOYSA-N -1 1 386.252 3.080 20 30 GGEDMM Cc1nc(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cs1 ZINC000069833445 1409711864 /nfs/dbraw/zinc/71/18/64/1409711864.db2.gz GMLAMKSFWUJARS-GFCCVEGCSA-N -1 1 384.486 3.047 20 30 GGEDMM C=CCSc1ccccc1NC(=O)CN[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823937392 1428430151 /nfs/dbraw/zinc/43/01/51/1428430151.db2.gz VUOGDWVEVFVFCB-CQSZACIVSA-N -1 1 394.504 3.434 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000072011121 1409837001 /nfs/dbraw/zinc/83/70/01/1409837001.db2.gz ZITPCIOVFHPRAH-INIZCTEOSA-N -1 1 385.489 3.418 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)cc1 ZINC000176724795 1428436181 /nfs/dbraw/zinc/43/61/81/1428436181.db2.gz CFXNTTUHRPMYFN-UHFFFAOYSA-N -1 1 383.404 3.472 20 30 GGEDMM N#C[C@H](C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1nc2cc(F)ccc2s1 ZINC000737671982 1428448707 /nfs/dbraw/zinc/44/87/07/1428448707.db2.gz DMVUHBKOPLVADE-CYBMUJFWSA-N -1 1 378.392 3.034 20 30 GGEDMM COCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092567734 1410174461 /nfs/dbraw/zinc/17/44/61/1410174461.db2.gz YTDZXXJXOKJVTP-UHFFFAOYSA-N -1 1 375.812 3.474 20 30 GGEDMM CCOc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000096930457 1410337819 /nfs/dbraw/zinc/33/78/19/1410337819.db2.gz LVQVTLLSYCSERL-HSWQHBDASA-N -1 1 397.427 3.263 20 30 GGEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000098014521 1410394535 /nfs/dbraw/zinc/39/45/35/1410394535.db2.gz ANWZZHVFVPSPAR-UHFFFAOYSA-N -1 1 398.225 3.158 20 30 GGEDMM N#Cc1ccccc1N1CCN(Cn2c(=S)[n-]nc2Cc2cccs2)CC1 ZINC000101537514 1410454167 /nfs/dbraw/zinc/45/41/67/1410454167.db2.gz PCSPSQCGWMHOBP-UHFFFAOYSA-N -1 1 396.545 3.244 20 30 GGEDMM CCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000103330856 1410849564 /nfs/dbraw/zinc/84/95/64/1410849564.db2.gz XZIMKSMLPPBUEF-INIZCTEOSA-N 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Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000105640355 1411094588 /nfs/dbraw/zinc/09/45/88/1411094588.db2.gz ZOHDDIWRQCZMEO-QWUACUGRSA-N -1 1 398.846 3.430 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)O[C@H](C#N)C1CC1 ZINC000177012545 1428553712 /nfs/dbraw/zinc/55/37/12/1428553712.db2.gz YKLPMEPCRYMQJT-GOSISDBHSA-N -1 1 388.420 3.394 20 30 GGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1C(=O)NC(C)C ZINC000108762208 1411602115 /nfs/dbraw/zinc/60/21/15/1411602115.db2.gz LIVQBZJZJOQLDP-UHFFFAOYSA-N -1 1 391.880 3.459 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)NC(C)C ZINC000108762605 1411602345 /nfs/dbraw/zinc/60/23/45/1411602345.db2.gz IIWSUFJALGNRTC-UHFFFAOYSA-N -1 1 391.880 3.459 20 30 GGEDMM COc1cc(C)c([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1OC ZINC000177126264 1428595825 /nfs/dbraw/zinc/59/58/25/1428595825.db2.gz XMMFGRQEKIRUIW-NSHDSACASA-N -1 1 396.415 3.202 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)nc1 ZINC000110121921 1411832240 /nfs/dbraw/zinc/83/22/40/1411832240.db2.gz GHEKIQWCZOPJHO-UHFFFAOYSA-N -1 1 377.372 3.284 20 30 GGEDMM N#C[C@H](C(=O)CC[C@@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000111943463 1412060491 /nfs/dbraw/zinc/06/04/91/1412060491.db2.gz JNFAPURMXLHOQP-GXTWGEPZSA-N -1 1 385.489 3.389 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000111995386 1412064746 /nfs/dbraw/zinc/06/47/46/1412064746.db2.gz RZXMXYCENQTWGO-UHFFFAOYSA-N -1 1 385.489 3.003 20 30 GGEDMM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1ccc2c(c1)OCCO2 ZINC000111995042 1412064797 /nfs/dbraw/zinc/06/47/97/1412064797.db2.gz ZAHISVJFDDIGPE-UHFFFAOYSA-N -1 1 392.436 3.053 20 30 GGEDMM N#C[C@@H](C(=O)C=CC1CCOCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000112222437 1412097422 /nfs/dbraw/zinc/09/74/22/1412097422.db2.gz OEPDJDHWPLPUGU-GJBLVYBDSA-N -1 1 383.473 3.022 20 30 GGEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)o1 ZINC000113175752 1412270623 /nfs/dbraw/zinc/27/06/23/1412270623.db2.gz HKIAWXCWWUYABK-ZDUSSCGKSA-N -1 1 395.868 3.004 20 30 GGEDMM CC[C@@H](C#N)Oc1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)ccc1OC ZINC000113304047 1412289493 /nfs/dbraw/zinc/28/94/93/1412289493.db2.gz QPCNAOGPAQCIEW-ZDUSSCGKSA-N -1 1 396.415 3.133 20 30 GGEDMM C#CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@@H]1CCc2ccccc21 ZINC000819702278 1428641241 /nfs/dbraw/zinc/64/12/41/1428641241.db2.gz WMLDYJNGVXVSAK-LJQANCHMSA-N -1 1 397.442 3.039 20 30 GGEDMM C[C@@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000113692625 1412333823 /nfs/dbraw/zinc/33/38/23/1412333823.db2.gz AURVYSQXLLOOLX-NSHDSACASA-N -1 1 380.372 3.225 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccncc2)c1 ZINC000114673929 1412492649 /nfs/dbraw/zinc/49/26/49/1412492649.db2.gz KSTGONPRJZJMHD-UHFFFAOYSA-N -1 1 392.440 3.315 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1N1CCOCC1 ZINC000114673316 1412492856 /nfs/dbraw/zinc/49/28/56/1412492856.db2.gz ZTELLWCJUXBPJL-UHFFFAOYSA-N -1 1 391.880 3.158 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1C ZINC000114673897 1412493390 /nfs/dbraw/zinc/49/33/90/1412493390.db2.gz KIHXNUUPZLVRFW-UHFFFAOYSA-N -1 1 383.473 3.212 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000114850168 1412541418 /nfs/dbraw/zinc/54/14/18/1412541418.db2.gz WVQHSMBOLMXTJM-IYBDPMFKSA-N -1 1 385.489 3.281 20 30 GGEDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)cc21 ZINC000115311997 1412644027 /nfs/dbraw/zinc/64/40/27/1412644027.db2.gz OMEPUKHMDTXALA-UHFFFAOYSA-N -1 1 383.473 3.198 20 30 GGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)c1 ZINC000115312299 1412644964 /nfs/dbraw/zinc/64/49/64/1412644964.db2.gz IPZDQAPOLKWGQG-UHFFFAOYSA-N -1 1 386.473 3.351 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)c3cc(OC)ccn3)nc2C)n[n-]c1=S ZINC000116196037 1412841139 /nfs/dbraw/zinc/84/11/39/1412841139.db2.gz ZHLDLPJEAIHXPN-UHFFFAOYSA-N -1 1 388.478 3.215 20 30 GGEDMM CCC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000116664198 1412894797 /nfs/dbraw/zinc/89/47/97/1412894797.db2.gz WWONDVFOKDUVOX-AWEZNQCLSA-N -1 1 393.415 3.188 20 30 GGEDMM C=CC[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000116854808 1412942543 /nfs/dbraw/zinc/94/25/43/1412942543.db2.gz AJOBCKCYOMRRMY-AWEZNQCLSA-N -1 1 376.453 3.250 20 30 GGEDMM C=CC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000116852968 1412942705 /nfs/dbraw/zinc/94/27/05/1412942705.db2.gz ZQJSRAFSUWQAPY-GFCCVEGCSA-N -1 1 380.416 3.460 20 30 GGEDMM C=CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000116860293 1412943600 /nfs/dbraw/zinc/94/36/00/1412943600.db2.gz YXSYOTYFYIPATM-LBPRGKRZSA-N -1 1 380.416 3.460 20 30 GGEDMM N#Cc1cccc(OC2CCN(Cn3[n-]c(-c4ccccn4)nc3=S)CC2)c1 ZINC000117320045 1413024841 /nfs/dbraw/zinc/02/48/41/1413024841.db2.gz OLTRANYYJGDUPL-UHFFFAOYSA-N -1 1 392.488 3.375 20 30 GGEDMM Cc1cc(C(=O)NC2(C#N)CCCCC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233982 1428695307 /nfs/dbraw/zinc/69/53/07/1428695307.db2.gz IRWYTQNSRCOTNX-UHFFFAOYSA-N -1 1 389.463 3.231 20 30 GGEDMM CN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000821597684 1428737204 /nfs/dbraw/zinc/73/72/04/1428737204.db2.gz CKNQUQCNRLTVSL-UHFFFAOYSA-N -1 1 381.371 3.175 20 30 GGEDMM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000119826683 1413583723 /nfs/dbraw/zinc/58/37/23/1413583723.db2.gz JCVUVTRBWBZJFA-UHFFFAOYSA-N -1 1 383.473 3.231 20 30 GGEDMM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000737639369 1428742243 /nfs/dbraw/zinc/74/22/43/1428742243.db2.gz PSLSRTKWLLQICA-UHFFFAOYSA-N -1 1 387.234 3.466 20 30 GGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(F)c1 ZINC000121140932 1414021960 /nfs/dbraw/zinc/02/19/60/1414021960.db2.gz FFUXKTOMRFXHTI-UHFFFAOYSA-N -1 1 379.369 3.194 20 30 GGEDMM C=CCCOCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823899334 1428782709 /nfs/dbraw/zinc/78/27/09/1428782709.db2.gz SPWUBTCEOVNHPH-UHFFFAOYSA-N -1 1 394.435 3.373 20 30 GGEDMM N#Cc1cc(NC(=O)c2csc(Cc3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000737709433 1428788824 /nfs/dbraw/zinc/78/88/24/1428788824.db2.gz LAIQFRXJVBTQEM-UHFFFAOYSA-N -1 1 387.428 3.038 20 30 GGEDMM N#CC1(NC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000822801120 1428792262 /nfs/dbraw/zinc/79/22/62/1428792262.db2.gz DXQZKSCELHWJGK-UHFFFAOYSA-N -1 1 376.445 3.194 20 30 GGEDMM C#CCOc1ccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000823856581 1428800178 /nfs/dbraw/zinc/80/01/78/1428800178.db2.gz UNNLQHSURIPSFA-UHFFFAOYSA-N -1 1 388.214 3.438 20 30 GGEDMM CC[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000122181673 1414381873 /nfs/dbraw/zinc/38/18/73/1414381873.db2.gz BJJFSXQKSYHUTC-INIZCTEOSA-N -1 1 376.409 3.394 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H](C#N)C(C)(C)C)c2)c1 ZINC000122199979 1414386811 /nfs/dbraw/zinc/38/68/11/1414386811.db2.gz LGKJOVJVUQGBOH-GOSISDBHSA-N -1 1 385.489 3.464 20 30 GGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000122390266 1414443976 /nfs/dbraw/zinc/44/39/76/1414443976.db2.gz QKQKRCIPRVEZGZ-KRWDZBQOSA-N -1 1 389.452 3.295 20 30 GGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000122389700 1414444273 /nfs/dbraw/zinc/44/42/73/1414444273.db2.gz BAKWSVSJPVVMQG-KRWDZBQOSA-N -1 1 389.452 3.295 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C(F)(F)F ZINC000177618895 1428812725 /nfs/dbraw/zinc/81/27/25/1428812725.db2.gz UYWYNRLEOZNJFS-UHFFFAOYSA-N -1 1 384.335 3.149 20 30 GGEDMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177620393 1428813035 /nfs/dbraw/zinc/81/30/35/1428813035.db2.gz FSOACCPQHVWELP-UHFFFAOYSA-N -1 1 397.378 3.080 20 30 GGEDMM C=CCOc1cccnc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823931867 1428818564 /nfs/dbraw/zinc/81/85/64/1428818564.db2.gz ILOPCKNQDNBSNK-UHFFFAOYSA-N -1 1 390.325 3.098 20 30 GGEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000122882392 1414588379 /nfs/dbraw/zinc/58/83/79/1414588379.db2.gz ZXPLWXDTPBHGOV-QUCCMNQESA-N -1 1 397.438 3.319 20 30 GGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000123727506 1414816308 /nfs/dbraw/zinc/81/63/08/1414816308.db2.gz PQHGJIRPLOWSCS-UHFFFAOYSA-N -1 1 386.455 3.423 20 30 GGEDMM COc1ccc([C@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C2CC2)cc1 ZINC000124126549 1414890714 /nfs/dbraw/zinc/89/07/14/1414890714.db2.gz HRDFEFCTEZXOKN-QGZVFWFLSA-N -1 1 378.400 3.275 20 30 GGEDMM CCCOc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1OC ZINC000124218694 1414911959 /nfs/dbraw/zinc/91/19/59/1414911959.db2.gz XDSWXIRHWKQJEB-UHFFFAOYSA-N -1 1 396.415 3.112 20 30 GGEDMM CCCOCc1ccccc1C[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124290514 1414930610 /nfs/dbraw/zinc/93/06/10/1414930610.db2.gz KYWQZVOFHDVWLY-UHFFFAOYSA-N -1 1 380.416 3.242 20 30 GGEDMM N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000124865708 1415062195 /nfs/dbraw/zinc/06/21/95/1415062195.db2.gz SFZDEKQHVFUPAY-UHFFFAOYSA-N -1 1 392.846 3.428 20 30 GGEDMM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125261149 1415146022 /nfs/dbraw/zinc/14/60/22/1415146022.db2.gz AMNPRIOXATUYJI-HNNXBMFYSA-N -1 1 376.441 3.399 20 30 GGEDMM C[C@@H](C#N)CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000824033812 1428870654 /nfs/dbraw/zinc/87/06/54/1428870654.db2.gz BKHSULDOVYUPAR-VIFPVBQESA-N -1 1 379.346 3.041 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)C#N)c2)c1 ZINC000125750771 1415270252 /nfs/dbraw/zinc/27/02/52/1415270252.db2.gz FIQBLAYSOSTPME-LBPRGKRZSA-N -1 1 377.853 3.091 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(-n2cccn2)c1 ZINC000125816106 1415288736 /nfs/dbraw/zinc/28/87/36/1415288736.db2.gz RCFPSVUSUBIMSM-GFCCVEGCSA-N -1 1 388.399 3.062 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1noc(-c2ccc(Cl)cc2)n1 ZINC000125833415 1415293210 /nfs/dbraw/zinc/29/32/10/1415293210.db2.gz BSHSGAOLLQXQMK-NSHDSACASA-N -1 1 388.836 3.301 20 30 GGEDMM CCCOc1cc(C)ccc1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000126123618 1415363852 /nfs/dbraw/zinc/36/38/52/1415363852.db2.gz DVLIUAZOPWQAOS-UHFFFAOYSA-N -1 1 389.433 3.042 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(O)cc1O ZINC000819773902 1428908406 /nfs/dbraw/zinc/90/84/06/1428908406.db2.gz XBOZGZCQZYKXBJ-UHFFFAOYSA-N -1 1 378.314 3.133 20 30 GGEDMM COc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cs1 ZINC000126302149 1415411699 /nfs/dbraw/zinc/41/16/99/1415411699.db2.gz CRPBAFYQXQNIQQ-CYBMUJFWSA-N -1 1 378.413 3.175 20 30 GGEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)cc1 ZINC000822833188 1428967855 /nfs/dbraw/zinc/96/78/55/1428967855.db2.gz MDYFNSROZZEBSP-UHFFFAOYSA-N -1 1 389.400 3.239 20 30 GGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Br)s2)c1 ZINC000127118714 1415664129 /nfs/dbraw/zinc/66/41/29/1415664129.db2.gz BCYLTDVZFXBCSX-LLVKDONJSA-N -1 1 379.235 3.480 20 30 GGEDMM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826163163 1428962924 /nfs/dbraw/zinc/96/29/24/1428962924.db2.gz IVLHDTYIMNATBV-SOFGYWHQSA-N -1 1 386.358 3.066 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)nc1 ZINC000826385172 1428963295 /nfs/dbraw/zinc/96/32/95/1428963295.db2.gz ACNUKRPIUFOBHL-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM C=CCN(CC=C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1 ZINC000735419565 1428976562 /nfs/dbraw/zinc/97/65/62/1428976562.db2.gz VXGGVOBKICTALS-UHFFFAOYSA-N -1 1 397.527 3.403 20 30 GGEDMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824516482 1428992310 /nfs/dbraw/zinc/99/23/10/1428992310.db2.gz XKRCDUCAVQTEQE-AWEZNQCLSA-N -1 1 395.426 3.291 20 30 GGEDMM CC[C@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000127484248 1415799088 /nfs/dbraw/zinc/79/90/88/1415799088.db2.gz KLURXYSEIBZIMF-LJQANCHMSA-N -1 1 389.452 3.357 20 30 GGEDMM C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000127755425 1415844476 /nfs/dbraw/zinc/84/44/76/1415844476.db2.gz QVRAYDZFEGMJDX-MRXNPFEDSA-N -1 1 383.492 3.018 20 30 GGEDMM N#Cc1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000737712738 1429017166 /nfs/dbraw/zinc/01/71/66/1429017166.db2.gz RQUUGRRGVZKTEU-UHFFFAOYSA-N -1 1 382.383 3.157 20 30 GGEDMM N#C[C@H](NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)C1CC1 ZINC000737673933 1429029778 /nfs/dbraw/zinc/02/97/78/1429029778.db2.gz FDNCHBPIYCVVSW-HNNXBMFYSA-N -1 1 394.822 3.344 20 30 GGEDMM N#Cc1ccc(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822829922 1429041822 /nfs/dbraw/zinc/04/18/22/1429041822.db2.gz PFWGXJMZIYXDPM-UHFFFAOYSA-N -1 1 388.218 3.096 20 30 GGEDMM N#Cc1cccc(OCCCCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000822837908 1429052976 /nfs/dbraw/zinc/05/29/76/1429052976.db2.gz XZPKEWRNJGDXEX-UHFFFAOYSA-N -1 1 395.394 3.170 20 30 GGEDMM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3F)S2)c1 ZINC000822324012 1429060753 /nfs/dbraw/zinc/06/07/53/1429060753.db2.gz SDADCQWODZUDSV-DHDCSXOGSA-N -1 1 380.408 3.206 20 30 GGEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)n1 ZINC000129985590 1416296505 /nfs/dbraw/zinc/29/65/05/1416296505.db2.gz LLQDYLYFQSYOHO-SNVBAGLBSA-N -1 1 380.351 3.147 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(C)nc2-c2cc3ccccc3o2)c(=O)o1 ZINC000130664726 1416420567 /nfs/dbraw/zinc/42/05/67/1416420567.db2.gz PSIOUABCXZRRFV-UCFODXPJSA-N -1 1 376.368 3.062 20 30 GGEDMM C#Cc1cccc(N(CC)C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000823861307 1429100125 /nfs/dbraw/zinc/10/01/25/1429100125.db2.gz DFHOCNSEYMGWSS-UHFFFAOYSA-N -1 1 397.442 3.009 20 30 GGEDMM C=CCNC(=O)c1ccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)cc1 ZINC000131119744 1416511886 /nfs/dbraw/zinc/51/18/86/1416511886.db2.gz SNVWCKXPTJMJPB-UHFFFAOYSA-N -1 1 399.501 3.224 20 30 GGEDMM COc1cc(CN2CC[C@@H](/N=C/c3cc([N+](=O)[O-])ccc3[O-])C2)cc(OC)c1 ZINC000132442781 1416761878 /nfs/dbraw/zinc/76/18/78/1416761878.db2.gz INZKZHISTMMQMH-BTZNOAQDSA-N -1 1 385.420 3.011 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000134086037 1417019950 /nfs/dbraw/zinc/01/99/50/1417019950.db2.gz WDJIRSRROZORDX-RTBURBONSA-N -1 1 386.473 3.350 20 30 GGEDMM CCN(CCC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000134153513 1417030191 /nfs/dbraw/zinc/03/01/91/1417030191.db2.gz OIQDAUUJYFGOIJ-UHFFFAOYSA-N -1 1 393.415 3.141 20 30 GGEDMM N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cc4ccccc4o3)C2)c(F)c1 ZINC000134174711 1417033607 /nfs/dbraw/zinc/03/36/07/1417033607.db2.gz VQLKQJYMSNQPSB-INIZCTEOSA-N -1 1 399.447 3.391 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)c1 ZINC000134681302 1417112256 /nfs/dbraw/zinc/11/22/56/1417112256.db2.gz QVKQMWRMPDOQOB-UHFFFAOYSA-N -1 1 397.456 3.367 20 30 GGEDMM C=C(C)COCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000136149188 1417295414 /nfs/dbraw/zinc/29/54/14/1417295414.db2.gz SMUNYOSLUJZYPA-UHFFFAOYSA-N -1 1 388.489 3.118 20 30 GGEDMM N#C[C@H](C(=O)CCc1ccccn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136144460 1417295554 /nfs/dbraw/zinc/29/55/54/1417295554.db2.gz YOIJNLVOGQPBOZ-CQSZACIVSA-N -1 1 378.457 3.067 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735505583 1429174260 /nfs/dbraw/zinc/17/42/60/1429174260.db2.gz RLKMIYQRDNYIIU-CYBMUJFWSA-N -1 1 393.476 3.440 20 30 GGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)c1 ZINC000136577219 1417328692 /nfs/dbraw/zinc/32/86/92/1417328692.db2.gz JZXVJHZPUFVXGD-AWEZNQCLSA-N -1 1 378.413 3.175 20 30 GGEDMM COc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)cc1 ZINC000136681113 1417337984 /nfs/dbraw/zinc/33/79/84/1417337984.db2.gz MVUSDUBVEVYSLR-AWEZNQCLSA-N -1 1 378.413 3.175 20 30 GGEDMM Cc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000137000251 1417361399 /nfs/dbraw/zinc/36/13/99/1417361399.db2.gz RIUGNRBGMBAAER-CQSZACIVSA-N -1 1 389.452 3.309 20 30 GGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)c1C#N ZINC000137370995 1417382060 /nfs/dbraw/zinc/38/20/60/1417382060.db2.gz XZJIDYHWQRGHJN-HOTGVXAUSA-N -1 1 385.489 3.281 20 30 GGEDMM COc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1O ZINC000737131667 1429179793 /nfs/dbraw/zinc/17/97/93/1429179793.db2.gz XMBSWADNWLKNES-UHFFFAOYSA-N -1 1 378.314 3.046 20 30 GGEDMM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccc(C#N)cc1 ZINC000824489389 1429198972 /nfs/dbraw/zinc/19/89/72/1429198972.db2.gz KKLRGSOGNSBAKL-OAHLLOKOSA-N -1 1 399.458 3.298 20 30 GGEDMM CC(C)[C@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735734241 1429246600 /nfs/dbraw/zinc/24/66/00/1429246600.db2.gz FPJYBZGXWBSPPU-KRWDZBQOSA-N -1 1 378.461 3.494 20 30 GGEDMM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1C(F)(F)F ZINC000735560635 1429276076 /nfs/dbraw/zinc/27/60/76/1429276076.db2.gz SIZDQICNPZMOAA-SNVBAGLBSA-N -1 1 386.337 3.499 20 30 GGEDMM N#CC(=C([O-])c1ccc(N2CCCC2)nn1)c1nc2ccccc2n1C(F)F ZINC000179224465 1429299549 /nfs/dbraw/zinc/29/95/49/1429299549.db2.gz XYINGKBUBLOLTG-LBPRGKRZSA-N -1 1 382.374 3.312 20 30 GGEDMM Cc1cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)ccc1Br ZINC000822198855 1429304291 /nfs/dbraw/zinc/30/42/91/1429304291.db2.gz MGHPIIHYVIPBLF-UHFFFAOYSA-N -1 1 390.245 3.495 20 30 GGEDMM C#CCOc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)cc1 ZINC000735381756 1429305000 /nfs/dbraw/zinc/30/50/00/1429305000.db2.gz ZJERWWUHZQGGID-UHFFFAOYSA-N -1 1 393.472 3.461 20 30 GGEDMM Cc1cc(C(=O)N(CCC#N)CC(C)C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737227248 1429303936 /nfs/dbraw/zinc/30/39/36/1429303936.db2.gz JOUHAOOBJVEEHZ-UHFFFAOYSA-N -1 1 391.479 3.286 20 30 GGEDMM C=CCN(CC=C)C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823903789 1429334980 /nfs/dbraw/zinc/33/49/80/1429334980.db2.gz KZLNZPGHGGTDEX-UHFFFAOYSA-N -1 1 383.399 3.178 20 30 GGEDMM N#Cc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822837597 1429337247 /nfs/dbraw/zinc/33/72/47/1429337247.db2.gz OTMNVFWMJYAEDU-UHFFFAOYSA-N -1 1 387.325 3.079 20 30 GGEDMM CC(=NNc1ccc(Cl)nc1)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000819772885 1429438629 /nfs/dbraw/zinc/43/86/29/1429438629.db2.gz MFJSDWNGJXEGIV-UHFFFAOYSA-N -1 1 393.842 3.245 20 30 GGEDMM C#CCSCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735388177 1429435422 /nfs/dbraw/zinc/43/54/22/1429435422.db2.gz SQTIWODTTFBHFA-UHFFFAOYSA-N -1 1 394.460 3.147 20 30 GGEDMM CCOc1ccc(C=NOCCCOc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821416888 1429445677 /nfs/dbraw/zinc/44/56/77/1429445677.db2.gz DZWRLVUSSLVBSV-UHFFFAOYSA-N -1 1 397.435 3.094 20 30 GGEDMM C#CCOc1ccc(C(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)cc1 ZINC000735381359 1429476609 /nfs/dbraw/zinc/47/66/09/1429476609.db2.gz UJMGQYUUCCRTSJ-UHFFFAOYSA-N -1 1 399.410 3.319 20 30 GGEDMM C[C@H](C#N)CN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000824035355 1429513164 /nfs/dbraw/zinc/51/31/64/1429513164.db2.gz XSTKSNZGOXXEKW-CQSZACIVSA-N -1 1 388.431 3.423 20 30 GGEDMM C#CCCCCNC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000819692334 1429526427 /nfs/dbraw/zinc/52/64/27/1429526427.db2.gz CTPGNJRXWRIBCZ-UHFFFAOYSA-N -1 1 380.477 3.198 20 30 GGEDMM CCc1c(C)sc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000736675743 1429528620 /nfs/dbraw/zinc/52/86/20/1429528620.db2.gz LRVYPVGYKGZJOH-UHFFFAOYSA-N -1 1 384.490 3.402 20 30 GGEDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000152638412 1422182032 /nfs/dbraw/zinc/18/20/32/1422182032.db2.gz MYMTYVJQXFXGHR-UHFFFAOYSA-N -1 1 375.406 3.363 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000820486998 1429537971 /nfs/dbraw/zinc/53/79/71/1429537971.db2.gz DSDDUZOMTDVHAS-KUHUBIRLSA-N -1 1 391.431 3.446 20 30 GGEDMM C#CCOc1ccc(F)cc1NC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000152961359 1422308704 /nfs/dbraw/zinc/30/87/04/1422308704.db2.gz QKHRDUSOLPUEMO-UHFFFAOYSA-N -1 1 388.449 3.459 20 30 GGEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CCC#N)c2ccccc2)o1 ZINC000153161282 1422377719 /nfs/dbraw/zinc/37/77/19/1422377719.db2.gz ADMUNZZUSWYHQZ-HNNXBMFYSA-N -1 1 389.477 3.131 20 30 GGEDMM CCCc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000825348580 1429577327 /nfs/dbraw/zinc/57/73/27/1429577327.db2.gz QOYWVZCVKOWRJZ-UHFFFAOYSA-N -1 1 398.430 3.129 20 30 GGEDMM Cc1oc(-c2ccsc2)nc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000737546095 1429582591 /nfs/dbraw/zinc/58/25/91/1429582591.db2.gz CKXWEHZBBWGLFG-UHFFFAOYSA-N -1 1 396.461 3.033 20 30 GGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819898477 1429602610 /nfs/dbraw/zinc/60/26/10/1429602610.db2.gz HDTRAGJILWFUPP-GOSISDBHSA-N -1 1 390.447 3.114 20 30 GGEDMM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000179846170 1429607922 /nfs/dbraw/zinc/60/79/22/1429607922.db2.gz FGNVMKULDOPWIP-KRWDZBQOSA-N -1 1 395.426 3.243 20 30 GGEDMM CN(CCC#N)C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000825914502 1429610245 /nfs/dbraw/zinc/61/02/45/1429610245.db2.gz HUZLVDKFTBXFRF-UHFFFAOYSA-N -1 1 382.811 3.298 20 30 GGEDMM C=CCCOCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000155159709 1423202674 /nfs/dbraw/zinc/20/26/74/1423202674.db2.gz LAUYAZOGIGRRER-UHFFFAOYSA-N -1 1 388.489 3.118 20 30 GGEDMM Cc1ccc(Br)cc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737306195 1423251481 /nfs/dbraw/zinc/25/14/81/1423251481.db2.gz OQJPWNNWLAEAFQ-UHFFFAOYSA-N -1 1 383.209 3.062 20 30 GGEDMM N#Cc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)cc1 ZINC000826385066 1423367927 /nfs/dbraw/zinc/36/79/27/1423367927.db2.gz VTENAQBRLJWJBF-UHFFFAOYSA-N -1 1 376.811 3.190 20 30 GGEDMM COc1ccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000155663373 1423475484 /nfs/dbraw/zinc/47/54/84/1423475484.db2.gz KRTUAMQFKBKUMY-AWEZNQCLSA-N -1 1 394.456 3.118 20 30 GGEDMM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000102914098 1423492975 /nfs/dbraw/zinc/49/29/75/1423492975.db2.gz XWBJIALDKJPPQH-UHFFFAOYSA-N -1 1 383.415 3.398 20 30 GGEDMM N#C[C@H]1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000179932509 1429648684 /nfs/dbraw/zinc/64/86/84/1429648684.db2.gz NSYMBOOVVLCMRW-SUMWQHHRSA-N -1 1 388.420 3.476 20 30 GGEDMM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1nc(-c2ccccc2)cs1 ZINC000735416873 1423607193 /nfs/dbraw/zinc/60/71/93/1423607193.db2.gz SGVNIORKAFTSHO-UHFFFAOYSA-N -1 1 389.444 3.218 20 30 GGEDMM N#C[C@@H]1CC[C@@H](OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000179950526 1429658865 /nfs/dbraw/zinc/65/88/65/1429658865.db2.gz ZDAOUFBFMKHYAZ-CXAGYDPISA-N -1 1 388.420 3.476 20 30 GGEDMM N#C[C@@H]1CC[C@H](OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)C1 ZINC000179950539 1429659227 /nfs/dbraw/zinc/65/92/27/1429659227.db2.gz ZDAOUFBFMKHYAZ-DYVFJYSZSA-N -1 1 388.420 3.476 20 30 GGEDMM CC(CCc1ccccc1[N+](=O)[O-])N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824414197 1423645014 /nfs/dbraw/zinc/64/50/14/1423645014.db2.gz XFAHRTUXHMYFPE-UHFFFAOYSA-N -1 1 386.803 3.244 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cc(Cl)cc3cccnc32)cc1-c1nn[n-]n1 ZINC000737720213 1429662482 /nfs/dbraw/zinc/66/24/82/1429662482.db2.gz ZTOXJPVWXZNYQE-UHFFFAOYSA-N -1 1 375.779 3.192 20 30 GGEDMM C=C[C@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883557 1429667611 /nfs/dbraw/zinc/66/76/11/1429667611.db2.gz UAMJTMVDSUEUMW-HUUCEWRRSA-N -1 1 391.431 3.097 20 30 GGEDMM CC(CSc1ccccc1[N+](=O)[O-])=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000824449883 1423775077 /nfs/dbraw/zinc/77/50/77/1423775077.db2.gz PXIURSOPZOBOLI-UHFFFAOYSA-N -1 1 383.437 3.033 20 30 GGEDMM C#CCCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000156318503 1423775700 /nfs/dbraw/zinc/77/57/00/1423775700.db2.gz LSANFUGAXYEUHH-UHFFFAOYSA-N -1 1 388.464 3.468 20 30 GGEDMM N#Cc1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737708748 1423776421 /nfs/dbraw/zinc/77/64/21/1423776421.db2.gz IJIQYUPMUSYEQZ-UHFFFAOYSA-N -1 1 389.202 3.063 20 30 GGEDMM COc1ccc2ccccc2c1C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000156357903 1423796078 /nfs/dbraw/zinc/79/60/78/1423796078.db2.gz PAQVDPIORZDLQQ-UHFFFAOYSA-N -1 1 397.412 3.107 20 30 GGEDMM C#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000156487193 1423816868 /nfs/dbraw/zinc/81/68/68/1423816868.db2.gz CFSNLEGORCMHGZ-UHFFFAOYSA-N -1 1 392.427 3.299 20 30 GGEDMM CCCCOc1cccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000156549851 1423826848 /nfs/dbraw/zinc/82/68/48/1423826848.db2.gz DQEXTWBDPGIJEN-UHFFFAOYSA-N -1 1 389.433 3.124 20 30 GGEDMM FC(F)(F)Oc1ccc(C#CCSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822718195 1423849255 /nfs/dbraw/zinc/84/92/55/1423849255.db2.gz BYZISXRWESFPCB-UHFFFAOYSA-N -1 1 377.351 3.304 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc2c(s1)CCCC2 ZINC000822936529 1424033501 /nfs/dbraw/zinc/03/35/01/1424033501.db2.gz VJDDJZQPUKUBBP-SREVYHEPSA-N -1 1 376.445 3.351 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)n([C@@H](C)C2CC2)n1 ZINC000823914193 1429693558 /nfs/dbraw/zinc/69/35/58/1429693558.db2.gz DAHYYBGRNNRMTG-HNNXBMFYSA-N -1 1 391.479 3.171 20 30 GGEDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2ccc(Br)cc21 ZINC000823504716 1424053909 /nfs/dbraw/zinc/05/39/09/1424053909.db2.gz SXGWOZNAXRRDAL-FPYGCLRLSA-N -1 1 389.234 3.349 20 30 GGEDMM CCN(C(=O)c1ncc(C#N)cc1Cl)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160696 1429694517 /nfs/dbraw/zinc/69/45/17/1429694517.db2.gz OURAFDPHNJHRDG-LLVKDONJSA-N -1 1 381.827 3.010 20 30 GGEDMM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000820556644 1424075958 /nfs/dbraw/zinc/07/59/58/1424075958.db2.gz VAGCWJORNQZWAX-ZDUSSCGKSA-N -1 1 396.451 3.433 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000157751697 1424080176 /nfs/dbraw/zinc/08/01/76/1424080176.db2.gz DQCVOCSRCGDWHK-UHFFFAOYSA-N -1 1 383.429 3.058 20 30 GGEDMM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(F)cc1F ZINC000157823188 1424096202 /nfs/dbraw/zinc/09/62/02/1424096202.db2.gz KDDWFTLKCIMDLM-CQSZACIVSA-N -1 1 381.360 3.174 20 30 GGEDMM C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000824713502 1424139828 /nfs/dbraw/zinc/13/98/28/1424139828.db2.gz IUSFEVBHTPJDET-LIRRHRJNSA-N -1 1 388.431 3.012 20 30 GGEDMM C=C[C@H](CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882809 1424184258 /nfs/dbraw/zinc/18/42/58/1424184258.db2.gz DKSPROVQEGHZNZ-HUUCEWRRSA-N -1 1 391.431 3.097 20 30 GGEDMM N#CCOc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737697968 1424204793 /nfs/dbraw/zinc/20/47/93/1424204793.db2.gz OWCBKQYZTUDUFK-UHFFFAOYSA-N -1 1 387.325 3.234 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820165410 1424219712 /nfs/dbraw/zinc/21/97/12/1424219712.db2.gz POQBEJUSQFTWBX-UHFFFAOYSA-N -1 1 391.435 3.189 20 30 GGEDMM CCC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1c(C)nn(C)c1C ZINC000736306373 1424231264 /nfs/dbraw/zinc/23/12/64/1424231264.db2.gz ZLIHYQUDYKFDHI-UHFFFAOYSA-N -1 1 392.389 3.462 20 30 GGEDMM C[C@@H](C#N)CNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824035530 1429710081 /nfs/dbraw/zinc/71/00/81/1429710081.db2.gz ZGXPHMLDFVNNEZ-NSHDSACASA-N -1 1 382.811 3.202 20 30 GGEDMM C=CCN(CCc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735419602 1424246140 /nfs/dbraw/zinc/24/61/40/1424246140.db2.gz XNOBCYZZSFQJAD-UHFFFAOYSA-N -1 1 379.489 3.216 20 30 GGEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1c(Cl)cccc1Cl ZINC000822801403 1424276476 /nfs/dbraw/zinc/27/64/76/1424276476.db2.gz IVNCHKMWJXAEMB-SECBINFHSA-N -1 1 379.232 3.230 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1SCCc2sccc21 ZINC000819743428 1424293093 /nfs/dbraw/zinc/29/30/93/1424293093.db2.gz JMFKTJSGFKNJEK-QGZVFWFLSA-N -1 1 397.529 3.473 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)nnn1-c1ccc(C)cc1 ZINC000822225216 1424360817 /nfs/dbraw/zinc/36/08/17/1424360817.db2.gz SNSWFCHEEVPYGL-FPLPWBNLSA-N -1 1 377.433 3.022 20 30 GGEDMM N#Cc1cccc(CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c1 ZINC000822837655 1424361209 /nfs/dbraw/zinc/36/12/09/1424361209.db2.gz QKESHIMOHOBXPF-UHFFFAOYSA-N -1 1 397.398 3.107 20 30 GGEDMM Cc1noc(C)c1[C@@H](C)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000159680837 1424523992 /nfs/dbraw/zinc/52/39/92/1424523992.db2.gz GDYKCRCAZAKAFI-RNCFNFMXSA-N -1 1 396.472 3.448 20 30 GGEDMM Cc1noc(C)c1[C@H](C)C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000159681008 1424524174 /nfs/dbraw/zinc/52/41/74/1424524174.db2.gz GDYKCRCAZAKAFI-ZANVPECISA-N -1 1 396.472 3.448 20 30 GGEDMM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000822806724 1424561594 /nfs/dbraw/zinc/56/15/94/1424561594.db2.gz SBOFAYOHVBFBNZ-CJNGLKHVSA-N -1 1 390.472 3.440 20 30 GGEDMM COc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826177190 1424595266 /nfs/dbraw/zinc/59/52/66/1424595266.db2.gz VZDZWJDJDFVXKV-UHFFFAOYSA-N -1 1 386.209 3.088 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)c(=O)o1 ZINC000160347841 1424596975 /nfs/dbraw/zinc/59/69/75/1424596975.db2.gz OYIPRKODYGHEMJ-CTDFXDFQSA-N -1 1 392.455 3.457 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1cccc(OCCCC#N)c1 ZINC000160620381 1424619712 /nfs/dbraw/zinc/61/97/12/1424619712.db2.gz KEPWOONPUHVROJ-UHFFFAOYSA-N -1 1 393.447 3.306 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2CN(C(C)C)C3)c1 ZINC000160763093 1424633350 /nfs/dbraw/zinc/63/33/50/1424633350.db2.gz XEJPPRRABCEAEM-UHFFFAOYSA-N -1 1 399.516 3.127 20 30 GGEDMM Cc1ccc(C(=O)NC2(C#N)CC2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000160943327 1424646871 /nfs/dbraw/zinc/64/68/71/1424646871.db2.gz LMECVXAFGQUCDT-UHFFFAOYSA-N -1 1 389.864 3.235 20 30 GGEDMM CCOc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821394977 1424683911 /nfs/dbraw/zinc/68/39/11/1424683911.db2.gz RTQILOCPZBTJSD-UHFFFAOYSA-N -1 1 387.346 3.317 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000735420405 1424852744 /nfs/dbraw/zinc/85/27/44/1424852744.db2.gz PGWYSSPTMORUHX-SJORKVTESA-N -1 1 386.525 3.239 20 30 GGEDMM N#CC1(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)CC1 ZINC000737679680 1424862291 /nfs/dbraw/zinc/86/22/91/1424862291.db2.gz SENVYJSULAUTFT-UHFFFAOYSA-N -1 1 380.795 3.098 20 30 GGEDMM CC(C)(C)O[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824119349 1429761027 /nfs/dbraw/zinc/76/10/27/1429761027.db2.gz GDXJDXVAIHGRMJ-QGZVFWFLSA-N -1 1 376.420 3.233 20 30 GGEDMM N#Cc1cc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)ccc1F ZINC000822818621 1424907072 /nfs/dbraw/zinc/90/70/72/1424907072.db2.gz DPMXJLYSUPDIBP-UHFFFAOYSA-N -1 1 391.284 3.253 20 30 GGEDMM CCc1nc2ccccc2n1N=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825750505 1424918435 /nfs/dbraw/zinc/91/84/35/1424918435.db2.gz RHRBPDPBALQBKB-UHFFFAOYSA-N -1 1 397.446 3.062 20 30 GGEDMM Cc1ccc(OCCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC000822263759 1424926230 /nfs/dbraw/zinc/92/62/30/1424926230.db2.gz YGQWGSDRVYZXLD-UHFFFAOYSA-N -1 1 376.420 3.153 20 30 GGEDMM C#CCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000163150280 1424950100 /nfs/dbraw/zinc/95/01/00/1424950100.db2.gz BWNSVHXMBSEWIV-UHFFFAOYSA-N -1 1 388.464 3.468 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488908 1424990412 /nfs/dbraw/zinc/99/04/12/1424990412.db2.gz WQNARVIEOORXMT-LIRRHRJNSA-N -1 1 391.431 3.446 20 30 GGEDMM C=CCN(CC1CCCCC1)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823903960 1425005952 /nfs/dbraw/zinc/00/59/52/1425005952.db2.gz PAFLENLDGOPCBA-UHFFFAOYSA-N -1 1 384.484 3.153 20 30 GGEDMM CSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1F ZINC000737192032 1425008237 /nfs/dbraw/zinc/00/82/37/1425008237.db2.gz GPGIIPDSJKENQH-PLNGDYQASA-N -1 1 380.408 3.272 20 30 GGEDMM N#CCN(C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CC1 ZINC000737692595 1425023100 /nfs/dbraw/zinc/02/31/00/1425023100.db2.gz IPVQOWSWCCSAOT-UHFFFAOYSA-N -1 1 394.822 3.441 20 30 GGEDMM COc1ccccc1N1CCC(N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)CC1 ZINC000821897152 1425031484 /nfs/dbraw/zinc/03/14/84/1425031484.db2.gz DWLSEOMZNRUBJS-UHFFFAOYSA-N -1 1 396.455 3.055 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2nc3ccc(Cl)cc3n2C)o1 ZINC000819781621 1425053973 /nfs/dbraw/zinc/05/39/73/1425053973.db2.gz AXIQEPTWPNMVRJ-UHFFFAOYSA-N -1 1 399.846 3.354 20 30 GGEDMM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c(Cl)c1 ZINC000737082554 1425073025 /nfs/dbraw/zinc/07/30/25/1425073025.db2.gz XFDXWOOHCNBPHT-VURMDHGXSA-N -1 1 383.839 3.481 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCSCC(C)C ZINC000823909495 1429775265 /nfs/dbraw/zinc/77/52/65/1429775265.db2.gz GLLRDDMGILOTAX-UHFFFAOYSA-N -1 1 388.541 3.344 20 30 GGEDMM CN(Cc1cccc(C#N)c1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736822400 1425085173 /nfs/dbraw/zinc/08/51/73/1425085173.db2.gz MTWTWWNZQAOFDN-UHFFFAOYSA-N -1 1 383.868 3.221 20 30 GGEDMM Cc1cccc(-c2n[nH]cc2CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c1 ZINC000826295409 1425138741 /nfs/dbraw/zinc/13/87/41/1425138741.db2.gz GDCVBZAUJGNQCN-UHFFFAOYSA-N -1 1 391.439 3.297 20 30 GGEDMM N#Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737716703 1425164097 /nfs/dbraw/zinc/16/40/97/1425164097.db2.gz UIWUBEIOSZFSMR-UHFFFAOYSA-N -1 1 384.852 3.264 20 30 GGEDMM N#Cc1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822829939 1425174521 /nfs/dbraw/zinc/17/45/21/1425174521.db2.gz QIZJKYYOXDGYAE-UHFFFAOYSA-N -1 1 384.852 3.264 20 30 GGEDMM C#CCCCCCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823840668 1425300361 /nfs/dbraw/zinc/30/03/61/1425300361.db2.gz AZBVOMWUDUXRMR-UHFFFAOYSA-N -1 1 383.843 3.228 20 30 GGEDMM C#Cc1cccc(N(C)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735389681 1425335369 /nfs/dbraw/zinc/33/53/69/1425335369.db2.gz GHHGLKARLJIWCI-UHFFFAOYSA-N -1 1 375.432 3.060 20 30 GGEDMM C=CCOc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000735437468 1425396177 /nfs/dbraw/zinc/39/61/77/1425396177.db2.gz JPELVCJRWGWUGV-ZDUSSCGKSA-N -1 1 380.404 3.358 20 30 GGEDMM CC[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000171004871 1425433109 /nfs/dbraw/zinc/43/31/09/1425433109.db2.gz MYZZKDBLNNVZCX-LBPRGKRZSA-N -1 1 395.843 3.312 20 30 GGEDMM N#Cc1ccc(NC(=O)COc2cc(Cl)ccc2-c2nnn[n-]2)cc1Cl ZINC000822829979 1425453232 /nfs/dbraw/zinc/45/32/32/1425453232.db2.gz RTFNPYYOZSEFMT-UHFFFAOYSA-N -1 1 389.202 3.063 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000820164341 1425478957 /nfs/dbraw/zinc/47/89/57/1425478957.db2.gz ICMMXLXMDYAQKH-ZDUSSCGKSA-N -1 1 391.435 3.408 20 30 GGEDMM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000822233678 1425479094 /nfs/dbraw/zinc/47/90/94/1425479094.db2.gz SSNGMACDGDFCEW-MOPGFXCFSA-N -1 1 388.431 3.153 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000824034806 1425568912 /nfs/dbraw/zinc/56/89/12/1425568912.db2.gz PKAGOPIVVYPOTN-LLVKDONJSA-N -1 1 386.362 3.371 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203541 1425571077 /nfs/dbraw/zinc/57/10/77/1425571077.db2.gz VHFWMCJBXTUBII-QPJJXVBHSA-N -1 1 398.810 3.381 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(O[C@@H](C)C#N)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204075 1425594330 /nfs/dbraw/zinc/59/43/30/1425594330.db2.gz XRMFTVJIZOFROY-RSPDNQDQSA-N -1 1 388.431 3.110 20 30 GGEDMM N#CCC1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000826380442 1425618790 /nfs/dbraw/zinc/61/87/90/1425618790.db2.gz ALJUEVQRNAMROP-UHFFFAOYSA-N -1 1 388.431 3.425 20 30 GGEDMM N#Cc1cccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826386752 1425657308 /nfs/dbraw/zinc/65/73/08/1425657308.db2.gz RKQNZUGQPITAFJ-UHFFFAOYSA-N -1 1 376.811 3.190 20 30 GGEDMM C#Cc1cccc(N(C)C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735391108 1425665193 /nfs/dbraw/zinc/66/51/93/1425665193.db2.gz LUXHESZQIQEOQL-UHFFFAOYSA-N -1 1 399.410 3.297 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cc(C)cc(OC)c1 ZINC000823910171 1425679230 /nfs/dbraw/zinc/67/92/30/1425679230.db2.gz YKVNUFATVKTFEM-UHFFFAOYSA-N -1 1 392.463 3.082 20 30 GGEDMM N#C[C@H](C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccncc2)cs1 ZINC000737673239 1425682212 /nfs/dbraw/zinc/68/22/12/1425682212.db2.gz XMTIYIVQJYFZOX-SQRWCISFSA-N -1 1 399.439 3.275 20 30 GGEDMM N#Cc1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000822825876 1425692356 /nfs/dbraw/zinc/69/23/56/1425692356.db2.gz QIAGPVXAMZRJQP-UHFFFAOYSA-N -1 1 384.355 3.145 20 30 GGEDMM C=CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)Cc1ccccc1F ZINC000819745542 1425694671 /nfs/dbraw/zinc/69/46/71/1425694671.db2.gz IKULZBZYABJNKS-UHFFFAOYSA-N -1 1 391.410 3.244 20 30 GGEDMM CN(C)c1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825875281 1425695320 /nfs/dbraw/zinc/69/53/20/1425695320.db2.gz IKBFLFJVMSIYJJ-RAXLEYEMSA-N -1 1 399.458 3.229 20 30 GGEDMM N#CCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000171594823 1425752621 /nfs/dbraw/zinc/75/26/21/1425752621.db2.gz DYTHXCSWAPSJIL-UHFFFAOYSA-N -1 1 393.415 3.189 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(C#N)cc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359300 1425777701 /nfs/dbraw/zinc/77/77/01/1425777701.db2.gz BSEVSGCASXAUPF-VQHVLOKHSA-N -1 1 399.389 3.174 20 30 GGEDMM N#CCc1ccc(OCc2ccccc2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822815612 1425809707 /nfs/dbraw/zinc/80/97/07/1425809707.db2.gz UPPOFAJBHUCUFM-UHFFFAOYSA-N -1 1 399.414 3.092 20 30 GGEDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000825958014 1425852035 /nfs/dbraw/zinc/85/20/35/1425852035.db2.gz LOUJYGHJFJWGHB-GOSISDBHSA-N -1 1 375.436 3.053 20 30 GGEDMM CSc1nc(C2CC2)cc(C(=O)O[C@H](C#N)C2CCCCC2)c1-c1nnn[n-]1 ZINC000826231552 1425877659 /nfs/dbraw/zinc/87/76/59/1425877659.db2.gz PORCWPAHXMVYBE-OAHLLOKOSA-N -1 1 398.492 3.490 20 30 GGEDMM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000826250504 1425946471 /nfs/dbraw/zinc/94/64/71/1425946471.db2.gz DTSJZKIKPHEMMZ-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM Cc1nn(Cc2ccccc2)c(C)c1C=NOCc1ccc(-c2nnn[n-]2)cc1 ZINC000822500975 1425960745 /nfs/dbraw/zinc/96/07/45/1425960745.db2.gz PJAMDHPMJUSOGQ-UHFFFAOYSA-N -1 1 387.447 3.279 20 30 GGEDMM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399868 1425976567 /nfs/dbraw/zinc/97/65/67/1425976567.db2.gz IRHGKTJQAZAOCM-RJRFIUFISA-N -1 1 386.770 3.327 20 30 GGEDMM CCn1c2ccccc2nc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825782561 1425977170 /nfs/dbraw/zinc/97/71/70/1425977170.db2.gz HERSXUONKLSNNC-UHFFFAOYSA-N -1 1 381.831 3.121 20 30 GGEDMM FC(F)(F)COc1ccccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826367798 1426007034 /nfs/dbraw/zinc/00/70/34/1426007034.db2.gz OONFIKVTANIZAM-UHFFFAOYSA-N -1 1 397.748 3.302 20 30 GGEDMM C[C@H](C#N)CN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824034921 1426008297 /nfs/dbraw/zinc/00/82/97/1426008297.db2.gz QMVIFHSRPJEWKE-CABCVRRESA-N -1 1 389.463 3.396 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCOCC1 ZINC000172589613 1426101373 /nfs/dbraw/zinc/10/13/73/1426101373.db2.gz JONORRJHXLXTEP-UHFFFAOYSA-N -1 1 391.880 3.158 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccn2)c1 ZINC000172591269 1426102550 /nfs/dbraw/zinc/10/25/50/1426102550.db2.gz NIFRMGSREOZMJW-UHFFFAOYSA-N -1 1 392.440 3.315 20 30 GGEDMM C=C(Br)CNC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735398029 1426135182 /nfs/dbraw/zinc/13/51/82/1426135182.db2.gz DVQQRTXNOQZNEC-UHFFFAOYSA-N -1 1 399.252 3.249 20 30 GGEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1csc(-c2cnccn2)n1 ZINC000172667715 1426135318 /nfs/dbraw/zinc/13/53/18/1426135318.db2.gz LLACQLYHBXITHR-GFCCVEGCSA-N -1 1 383.820 3.215 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000172675138 1426138395 /nfs/dbraw/zinc/13/83/95/1426138395.db2.gz LUSCRVSAQKXLLV-HZPDHXFCSA-N -1 1 385.489 3.281 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-n2cnc3ccccc32)nc1 ZINC000172675009 1426138577 /nfs/dbraw/zinc/13/85/77/1426138577.db2.gz DTXFPKPNYZLJPV-UHFFFAOYSA-N -1 1 389.440 3.401 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(F)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359774 1426146628 /nfs/dbraw/zinc/14/66/28/1426146628.db2.gz PXUXECBQTOXDRQ-VQHVLOKHSA-N -1 1 392.369 3.442 20 30 GGEDMM N#Cc1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C(F)(F)F ZINC000822830237 1426148094 /nfs/dbraw/zinc/14/80/94/1426148094.db2.gz YJHPMUDWPZJGKE-UHFFFAOYSA-N -1 1 394.263 3.288 20 30 GGEDMM N#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000822823252 1426253340 /nfs/dbraw/zinc/25/33/40/1426253340.db2.gz NHQXJALEKZFVNT-UHFFFAOYSA-N -1 1 392.469 3.458 20 30 GGEDMM C#CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000172940604 1426275793 /nfs/dbraw/zinc/27/57/93/1426275793.db2.gz PRLGLPUDZDJPLT-UHFFFAOYSA-N -1 1 376.865 3.284 20 30 GGEDMM N#Cc1ccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c(F)c1 ZINC000826384904 1426279200 /nfs/dbraw/zinc/27/92/00/1426279200.db2.gz ORJCMEFFWHWLNC-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM Cc1ncsc1C=CC(=O)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822481863 1426293172 /nfs/dbraw/zinc/29/31/72/1426293172.db2.gz GIWNZEDECMQDLW-BQYQJAHWSA-N -1 1 377.433 3.022 20 30 GGEDMM O=c1c(-c2nnn[n-]2)cn(CC#Cc2ccc(C(F)(F)F)cc2)c2ccccc12 ZINC000823656769 1426298632 /nfs/dbraw/zinc/29/86/32/1426298632.db2.gz HHYFQQRKBPTOQT-UHFFFAOYSA-N -1 1 395.344 3.252 20 30 GGEDMM C#CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C1CCCC1 ZINC000819697561 1426300245 /nfs/dbraw/zinc/30/02/45/1426300245.db2.gz HZKJDHYQQQSONH-UHFFFAOYSA-N -1 1 388.431 3.072 20 30 GGEDMM C=CCOCCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000172993241 1426300369 /nfs/dbraw/zinc/30/03/69/1426300369.db2.gz SDAIEOAIOCTVNK-UHFFFAOYSA-N -1 1 388.489 3.086 20 30 GGEDMM N#C[C@@H](C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000826379485 1426301393 /nfs/dbraw/zinc/30/13/93/1426301393.db2.gz SQYOZUZYTGFQKA-VIFPVBQESA-N -1 1 397.370 3.087 20 30 GGEDMM N#Cc1ccc(-n2ccc(NCc3ccccc3-c3nn[n-]n3)n2)c(Cl)c1 ZINC000826384027 1426332758 /nfs/dbraw/zinc/33/27/58/1426332758.db2.gz CSRKXGWIALZEQA-UHFFFAOYSA-N -1 1 376.811 3.190 20 30 GGEDMM N#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000737673668 1426356918 /nfs/dbraw/zinc/35/69/18/1426356918.db2.gz BYPDOTJRAIIMPS-LLVKDONJSA-N -1 1 379.232 3.230 20 30 GGEDMM CC(=O)Nc1ccc(C(C)=NOCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000819817500 1426364447 /nfs/dbraw/zinc/36/44/47/1426364447.db2.gz JFXYIKLKGPGPFY-UHFFFAOYSA-N -1 1 389.419 3.019 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(F)(F)c1ccc(OC)cc1 ZINC000823909703 1426377548 /nfs/dbraw/zinc/37/75/48/1426377548.db2.gz NZGMXMNCQVJACT-UHFFFAOYSA-N -1 1 399.401 3.182 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822802229 1426398093 /nfs/dbraw/zinc/39/80/93/1426398093.db2.gz XPDAJCLNOIUNBU-AEFFLSMTSA-N -1 1 391.410 3.309 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(CC#N)cc1 ZINC000824206759 1426412457 /nfs/dbraw/zinc/41/24/57/1426412457.db2.gz IBBDBTUGBUCFCB-LJQANCHMSA-N -1 1 391.431 3.080 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(NN=Cc2ccc(Br)s2)n1 ZINC000826350280 1426428570 /nfs/dbraw/zinc/42/85/70/1426428570.db2.gz PGBRJRIGCUMNMV-UHFFFAOYSA-N -1 1 384.650 3.185 20 30 GGEDMM N#Cc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1-c1nnn[n-]1 ZINC000737716610 1426431470 /nfs/dbraw/zinc/43/14/70/1426431470.db2.gz SPSRSRMXBLJSMB-UHFFFAOYSA-N -1 1 389.202 3.063 20 30 GGEDMM N#Cc1cccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cc3F)o2)c1 ZINC000737721782 1426440431 /nfs/dbraw/zinc/44/04/31/1426440431.db2.gz CJNFOALOCJZQNE-UHFFFAOYSA-N -1 1 379.380 3.220 20 30 GGEDMM C=C[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000819730261 1426475886 /nfs/dbraw/zinc/47/58/86/1426475886.db2.gz UHSPFZNHIFWCMP-LBPRGKRZSA-N -1 1 382.399 3.281 20 30 GGEDMM Cn1c(CN=Nc2ccc(-c3nn[n-]n3)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000822596839 1426482428 /nfs/dbraw/zinc/48/24/28/1426482428.db2.gz WDLDOCIMLDDDHR-UHFFFAOYSA-N -1 1 386.341 3.218 20 30 GGEDMM Cn1c(CN=Nc2ccc(-c3nnn[n-]3)cc2)nc2cc(C(F)(F)F)ccc21 ZINC000822596839 1426482434 /nfs/dbraw/zinc/48/24/34/1426482434.db2.gz WDLDOCIMLDDDHR-UHFFFAOYSA-N -1 1 386.341 3.218 20 30 GGEDMM C[C@@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C1 ZINC000824776857 1426519611 /nfs/dbraw/zinc/51/96/11/1426519611.db2.gz DXOCOFZMKYHVOZ-SFHVURJKSA-N -1 1 385.378 3.146 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(-c2ccncc2)cc1 ZINC000822935423 1426527918 /nfs/dbraw/zinc/52/79/18/1426527918.db2.gz KMZPAJRTCWOVOC-SREVYHEPSA-N -1 1 393.410 3.473 20 30 GGEDMM N#CC1(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)CCCCC1 ZINC000826380159 1426549380 /nfs/dbraw/zinc/54/93/80/1426549380.db2.gz PMMJBLUWUMTHCH-UHFFFAOYSA-N -1 1 396.842 3.118 20 30 GGEDMM Cc1cc(C#N)ccc1COC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826257118 1426549596 /nfs/dbraw/zinc/54/95/96/1426549596.db2.gz OMEAAPKSGMRKBN-IBGZPJMESA-N -1 1 391.431 3.194 20 30 GGEDMM CC[C@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736309591 1426567787 /nfs/dbraw/zinc/56/77/87/1426567787.db2.gz QGYRHQFNWFFJMX-CYBMUJFWSA-N -1 1 382.811 3.344 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nc2ccccc2s1 ZINC000823914475 1426578786 /nfs/dbraw/zinc/57/87/86/1426578786.db2.gz JLEOVJBYQOTUQL-UHFFFAOYSA-N -1 1 376.445 3.305 20 30 GGEDMM Cn1nc(C(F)(F)F)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826366257 1426608348 /nfs/dbraw/zinc/60/83/48/1426608348.db2.gz ZLHINWLYPRUBGV-WAYWQWQTSA-N -1 1 382.733 3.169 20 30 GGEDMM CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825829932 1426639226 /nfs/dbraw/zinc/63/92/26/1426639226.db2.gz KZKKRRLTOKCPEN-UHFFFAOYSA-N -1 1 397.398 3.202 20 30 GGEDMM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400083 1426651537 /nfs/dbraw/zinc/65/15/37/1426651537.db2.gz OHXRDSARYHNUMO-KXFIGUGUSA-N -1 1 389.184 3.370 20 30 GGEDMM C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824489560 1426661742 /nfs/dbraw/zinc/66/17/42/1426661742.db2.gz LLJSNLCKILCPLU-HNNXBMFYSA-N -1 1 399.458 3.298 20 30 GGEDMM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(Cl)c1O ZINC000821713053 1426666630 /nfs/dbraw/zinc/66/66/30/1426666630.db2.gz QUFWGWQTBZQXDK-SDQBBNPISA-N -1 1 382.807 3.447 20 30 GGEDMM N#Cc1csc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c1 ZINC000822845664 1426689876 /nfs/dbraw/zinc/68/98/76/1426689876.db2.gz BFHDCDAWTAMGJD-UHFFFAOYSA-N -1 1 389.400 3.239 20 30 GGEDMM O=C1c2ccc(Br)cc2OCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475916 1426696289 /nfs/dbraw/zinc/69/62/89/1426696289.db2.gz WBNPLWASPUTXDG-KPKJPENVSA-N -1 1 383.205 3.288 20 30 GGEDMM C#CCN(C(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1)C1CCCC1 ZINC000819698033 1426697069 /nfs/dbraw/zinc/69/70/69/1426697069.db2.gz QIBPEOTVYPYHMN-UHFFFAOYSA-N -1 1 391.431 3.057 20 30 GGEDMM N#C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000822801491 1426739665 /nfs/dbraw/zinc/73/96/65/1426739665.db2.gz KANXGNFIDLSOQZ-SFHVURJKSA-N -1 1 382.468 3.004 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc(C)c1OC(F)F ZINC000737236577 1426744511 /nfs/dbraw/zinc/74/45/11/1426744511.db2.gz OAGBIBSPXUKKIM-UHFFFAOYSA-N -1 1 384.346 3.209 20 30 GGEDMM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2nnc(-c3cccc(C#N)c3)o2)n1 ZINC000737240441 1426773256 /nfs/dbraw/zinc/77/32/56/1426773256.db2.gz KQUXEMSWAYUUTH-UHFFFAOYSA-N -1 1 390.432 3.093 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000820843003 1426781578 /nfs/dbraw/zinc/78/15/78/1426781578.db2.gz RZONNDAFIKUTER-HNNXBMFYSA-N -1 1 385.431 3.130 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)c1OC ZINC000826190843 1426917434 /nfs/dbraw/zinc/91/74/34/1426917434.db2.gz PFJJSPHZJYMICN-HYXAFXHYSA-N -1 1 376.825 3.495 20 30 GGEDMM C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000820372522 1426923942 /nfs/dbraw/zinc/92/39/42/1426923942.db2.gz AASAXDJDEZQKQC-JTQLQIEISA-N -1 1 399.361 3.222 20 30 GGEDMM N#Cc1cccc(S[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826387433 1426947988 /nfs/dbraw/zinc/94/79/88/1426947988.db2.gz VDCNWMIPBXPVCB-KRWDZBQOSA-N -1 1 376.445 3.026 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(Cl)nc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359440 1426953005 /nfs/dbraw/zinc/95/30/05/1426953005.db2.gz HEYOXGIXOVECAN-VURMDHGXSA-N -1 1 391.822 3.212 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000735418600 1426998794 /nfs/dbraw/zinc/99/87/94/1426998794.db2.gz FZBLKNFGHAAVJW-IAGOWNOFSA-N -1 1 395.413 3.463 20 30 GGEDMM Cc1ccc(NC(=S)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000822255028 1427003198 /nfs/dbraw/zinc/00/31/98/1427003198.db2.gz SSOAKTHOYDAGMZ-UHFFFAOYSA-N -1 1 377.477 3.202 20 30 GGEDMM N#Cc1cccc(OCCSCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822837328 1427016122 /nfs/dbraw/zinc/01/61/22/1427016122.db2.gz KBOGAAFLNKVYKU-UHFFFAOYSA-N -1 1 381.461 3.319 20 30 GGEDMM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(OC)c1OC ZINC000821713225 1427086588 /nfs/dbraw/zinc/08/65/88/1427086588.db2.gz RZSGXYSZXNVLFH-RIYZIHGNSA-N -1 1 392.415 3.105 20 30 GGEDMM CN(CCC#N)C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736790737 1427159783 /nfs/dbraw/zinc/15/97/83/1427159783.db2.gz IWBJVPDVLVHVDC-UHFFFAOYSA-N -1 1 382.811 3.298 20 30 GGEDMM COc1ccc2c(c1)OCC2=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821854455 1427162731 /nfs/dbraw/zinc/16/27/31/1427162731.db2.gz KAEMYQGBOYMYAN-UHFFFAOYSA-N -1 1 390.325 3.103 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000736309307 1427186717 /nfs/dbraw/zinc/18/67/17/1427186717.db2.gz NJOHNJXDSQGEDN-JTQLQIEISA-N -1 1 375.845 3.270 20 30 GGEDMM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000822233150 1427190027 /nfs/dbraw/zinc/19/00/27/1427190027.db2.gz ITRQTKOEWKZYQP-IEBWSBKVSA-N -1 1 388.431 3.153 20 30 GGEDMM FC(F)(F)COc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826367711 1427206069 /nfs/dbraw/zinc/20/60/69/1427206069.db2.gz LDONNDMIEQRVRN-UHFFFAOYSA-N -1 1 397.748 3.302 20 30 GGEDMM FC(F)(F)COc1cccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826367711 1427206077 /nfs/dbraw/zinc/20/60/77/1427206077.db2.gz LDONNDMIEQRVRN-UHFFFAOYSA-N -1 1 397.748 3.302 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820032378 1427213431 /nfs/dbraw/zinc/21/34/31/1427213431.db2.gz MWLZHNDKICROMB-KRWDZBQOSA-N -1 1 396.838 3.434 20 30 GGEDMM Brc1ccc2[nH]cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000819687992 1427224654 /nfs/dbraw/zinc/22/46/54/1427224654.db2.gz ANJMBBYDVLOABZ-UHFFFAOYSA-N -1 1 396.252 3.234 20 30 GGEDMM C#CCCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000174576086 1427235645 /nfs/dbraw/zinc/23/56/45/1427235645.db2.gz YKIGVFLCVWIUMF-UHFFFAOYSA-N -1 1 394.855 3.423 20 30 GGEDMM CCC[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821009711 1427264290 /nfs/dbraw/zinc/26/42/90/1427264290.db2.gz ZHSSEUAAUUPYFF-AWEZNQCLSA-N -1 1 378.461 3.440 20 30 GGEDMM N#Cc1ccc(Oc2ccc(Br)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822832725 1427264862 /nfs/dbraw/zinc/26/48/62/1427264862.db2.gz FMVKBGZHPMESDD-UHFFFAOYSA-N -1 1 387.153 3.201 20 30 GGEDMM CCCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OCC ZINC000821133605 1427270503 /nfs/dbraw/zinc/27/05/03/1427270503.db2.gz BUVUEAGSRNLHJK-UHFFFAOYSA-N -1 1 380.452 3.178 20 30 GGEDMM COc1ccc(CNc2ccc(Br)cc2C#N)cc1-c1nnn[n-]1 ZINC000826203674 1427279459 /nfs/dbraw/zinc/27/94/59/1427279459.db2.gz ATIVPOGZQZEYGL-UHFFFAOYSA-N -1 1 385.225 3.122 20 30 GGEDMM C=C(C)COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC ZINC000823877799 1427281000 /nfs/dbraw/zinc/28/10/00/1427281000.db2.gz FUGJIYFWECPGKG-UHFFFAOYSA-N -1 1 399.842 3.325 20 30 GGEDMM C=C(C)COc1cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC ZINC000823877799 1427281009 /nfs/dbraw/zinc/28/10/09/1427281009.db2.gz FUGJIYFWECPGKG-UHFFFAOYSA-N -1 1 399.842 3.325 20 30 GGEDMM C=C(C)COc1cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OC ZINC000823877799 1427281016 /nfs/dbraw/zinc/28/10/16/1427281016.db2.gz FUGJIYFWECPGKG-UHFFFAOYSA-N -1 1 399.842 3.325 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000735419965 1427283651 /nfs/dbraw/zinc/28/36/51/1427283651.db2.gz KWQYROJLTXGEID-HXUWFJFHSA-N -1 1 389.459 3.085 20 30 GGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000174736803 1427339770 /nfs/dbraw/zinc/33/97/70/1427339770.db2.gz XDIKHNPJTKGTMG-UHFFFAOYSA-N -1 1 386.477 3.448 20 30 GGEDMM C[C@@H]1CC(NC(=O)c2cccc(Oc3ccc(Cl)cc3-c3nnn[n-]3)c2)=NO1 ZINC000824891534 1427368664 /nfs/dbraw/zinc/36/86/64/1427368664.db2.gz ARJVOAQLEMBMBD-SNVBAGLBSA-N -1 1 398.810 3.165 20 30 GGEDMM N#C[C@H](C(=O)C[C@H]1CCCCO1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822802258 1427374147 /nfs/dbraw/zinc/37/41/47/1427374147.db2.gz YFPMEVFKUXQPCZ-HUUCEWRRSA-N -1 1 394.460 3.126 20 30 GGEDMM C[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1cccc(C#N)c1 ZINC000820343086 1427413027 /nfs/dbraw/zinc/41/30/27/1427413027.db2.gz ZXWYXVHANCODBR-AWEZNQCLSA-N -1 1 387.447 3.174 20 30 GGEDMM Cc1sc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C ZINC000737564686 1427429369 /nfs/dbraw/zinc/42/93/69/1427429369.db2.gz WXFFWYDJTXGZIZ-MRXNPFEDSA-N -1 1 393.476 3.024 20 30 GGEDMM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)cc(F)c1[O-] ZINC000823958484 1427463270 /nfs/dbraw/zinc/46/32/70/1427463270.db2.gz OTAJVFOCDWXPLP-UHFFFAOYSA-N -1 1 391.204 3.310 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)cc(F)c1O ZINC000823958484 1427463276 /nfs/dbraw/zinc/46/32/76/1427463276.db2.gz OTAJVFOCDWXPLP-UHFFFAOYSA-N -1 1 391.204 3.310 20 30 GGEDMM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)cc(F)c1O ZINC000823958484 1427463279 /nfs/dbraw/zinc/46/32/79/1427463279.db2.gz OTAJVFOCDWXPLP-UHFFFAOYSA-N -1 1 391.204 3.310 20 30 GGEDMM CCN1c2ccc(C)cc2C(=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)C1=O ZINC000825445047 1427466708 /nfs/dbraw/zinc/46/67/08/1427466708.db2.gz VLUFMVHFXVHBKF-UHFFFAOYSA-N -1 1 381.827 3.011 20 30 GGEDMM C#CCCCCCC(=O)Oc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000823841754 1427467521 /nfs/dbraw/zinc/46/75/21/1427467521.db2.gz SEXGXLKLYOFWOL-UHFFFAOYSA-N -1 1 393.241 3.127 20 30 GGEDMM N#Cc1ccc(OC2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000737721573 1427468789 /nfs/dbraw/zinc/46/87/89/1427468789.db2.gz LMFIFPVCNVYOAG-UHFFFAOYSA-N -1 1 380.839 3.440 20 30 GGEDMM O=[N+]([O-])c1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000738361118 1427486018 /nfs/dbraw/zinc/48/60/18/1427486018.db2.gz UZWCQTVJJBUBHS-UHFFFAOYSA-N -1 1 383.315 3.301 20 30 GGEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737721021 1427546902 /nfs/dbraw/zinc/54/69/02/1427546902.db2.gz FPYAIVNLQOJCJF-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1cccc(Cl)c1 ZINC000823066152 1427561619 /nfs/dbraw/zinc/56/16/19/1427561619.db2.gz NISWQBADVYZLAC-UHFFFAOYSA-N -1 1 384.848 3.207 20 30 GGEDMM Cc1ccc(O)c(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826291768 1427565685 /nfs/dbraw/zinc/56/56/85/1427565685.db2.gz VIOAVTZLTMSCLP-NTMALXAHSA-N -1 1 386.415 3.177 20 30 GGEDMM N#CCC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000826380887 1427586335 /nfs/dbraw/zinc/58/63/35/1427586335.db2.gz PHYGGEXIKHYIOR-UHFFFAOYSA-N -1 1 385.378 3.146 20 30 GGEDMM COc1cc(C)c(C(C)N=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1OC ZINC000737040382 1427618971 /nfs/dbraw/zinc/61/89/71/1427618971.db2.gz PDIYFVSHPMOVOM-UHFFFAOYSA-N -1 1 385.428 3.140 20 30 GGEDMM Fc1cc(F)c(NN=Cc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000826373055 1427620321 /nfs/dbraw/zinc/62/03/21/1427620321.db2.gz XYIVUYARVRCKSC-UHFFFAOYSA-N -1 1 379.168 3.353 20 30 GGEDMM Fc1cc(F)c(N=NCc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000826373055 1427620330 /nfs/dbraw/zinc/62/03/30/1427620330.db2.gz XYIVUYARVRCKSC-UHFFFAOYSA-N -1 1 379.168 3.353 20 30 GGEDMM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824305077 1427629150 /nfs/dbraw/zinc/62/91/50/1427629150.db2.gz KLCDMJHGKOKXAR-XFXZXTDPSA-N -1 1 376.420 3.293 20 30 GGEDMM N#Cc1ccc(S[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826386016 1427638049 /nfs/dbraw/zinc/63/80/49/1427638049.db2.gz LNKITZGBTOGBFR-QGZVFWFLSA-N -1 1 376.445 3.026 20 30 GGEDMM O=C1c2cccc(Br)c2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475871 1427667047 /nfs/dbraw/zinc/66/70/47/1427667047.db2.gz UHOXEFNJYLEGJL-DHZHZOJOSA-N -1 1 383.205 3.288 20 30 GGEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1Cn1cccn1 ZINC000821770885 1427702921 /nfs/dbraw/zinc/70/29/21/1427702921.db2.gz YWMRBWQDZUBQDZ-WEVVVXLNSA-N -1 1 386.415 3.016 20 30 GGEDMM CC[C@](C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000736314774 1427713863 /nfs/dbraw/zinc/71/38/63/1427713863.db2.gz UFMKHGOHFONZJG-LJQANCHMSA-N -1 1 380.383 3.220 20 30 GGEDMM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737316429 1427715272 /nfs/dbraw/zinc/71/52/72/1427715272.db2.gz BPNXRQJSFSXHGP-UHFFFAOYSA-N -1 1 376.420 3.188 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnn1C(CC)CC ZINC000819745922 1427787895 /nfs/dbraw/zinc/78/78/95/1427787895.db2.gz VACAUZJVYCWWLD-UHFFFAOYSA-N -1 1 379.468 3.253 20 30 GGEDMM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824754712 1427788244 /nfs/dbraw/zinc/78/82/44/1427788244.db2.gz JOWKMGCYPDQFBX-QFYYESIMSA-N -1 1 378.889 3.055 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(OCCF)c1 ZINC000819745375 1427802740 /nfs/dbraw/zinc/80/27/40/1427802740.db2.gz ACDYYQJYZLZVLY-UHFFFAOYSA-N -1 1 396.426 3.435 20 30 GGEDMM CC(C)(Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735679559 1427806035 /nfs/dbraw/zinc/80/60/35/1427806035.db2.gz KKRQEQZETAQMFX-UHFFFAOYSA-N -1 1 382.811 3.188 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(C)c([N+](=O)[O-])c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737328466 1427823820 /nfs/dbraw/zinc/82/38/20/1427823820.db2.gz DAKJPHMFTWWENY-BQYQJAHWSA-N -1 1 378.392 3.036 20 30 GGEDMM N#CCOc1ccc(CNc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826381818 1427845162 /nfs/dbraw/zinc/84/51/62/1427845162.db2.gz AFKSRHHIZLAUOR-UHFFFAOYSA-N -1 1 385.225 3.144 20 30 GGEDMM CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825642731 1427848038 /nfs/dbraw/zinc/84/80/38/1427848038.db2.gz ADLXAWBQKHOPPO-QPJJXVBHSA-N -1 1 383.339 3.209 20 30 GGEDMM Fc1ccc(-c2nnn[n-]2)c(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000822758510 1427853460 /nfs/dbraw/zinc/85/34/60/1427853460.db2.gz QGUQGWAYLNCDDG-UHFFFAOYSA-N -1 1 383.271 3.323 20 30 GGEDMM CC[C@@H]1CC[C@H](C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)O1 ZINC000820971476 1427898162 /nfs/dbraw/zinc/89/81/62/1427898162.db2.gz CNDVBAPQWLSCLU-IIAWOOMASA-N -1 1 394.460 3.124 20 30 GGEDMM N#Cc1csc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000175818354 1427909303 /nfs/dbraw/zinc/90/93/03/1427909303.db2.gz WGLZWMPYXNXXGD-UHFFFAOYSA-N -1 1 397.481 3.351 20 30 GGEDMM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc(OC)c1C(C)C ZINC000826177723 1427929469 /nfs/dbraw/zinc/92/94/69/1427929469.db2.gz RTJGNEZUYNJEFI-UHFFFAOYSA-N -1 1 392.419 3.131 20 30 GGEDMM CCc1nnc(NCc2cccc(O[C@H](C#N)CC)c2)c(-c2nnn[n-]2)c1CC ZINC000821542381 1427951876 /nfs/dbraw/zinc/95/18/76/1427951876.db2.gz QIQVSCBTCYQQRC-AWEZNQCLSA-N -1 1 392.467 3.075 20 30 GGEDMM N#CCN(C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826382230 1427986243 /nfs/dbraw/zinc/98/62/43/1427986243.db2.gz UVBNKBKJYFUGAS-UHFFFAOYSA-N -1 1 384.852 3.169 20 30 GGEDMM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826282577 1427997060 /nfs/dbraw/zinc/99/70/60/1427997060.db2.gz VPIWQIMMMGMHNT-UHFFFAOYSA-N -1 1 383.209 3.062 20 30 GGEDMM CC[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000176007532 1428023876 /nfs/dbraw/zinc/02/38/76/1428023876.db2.gz HIWFJNCLHZOGSS-CYBMUJFWSA-N -1 1 380.372 3.225 20 30 GGEDMM CC[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000176007521 1428023902 /nfs/dbraw/zinc/02/39/02/1428023902.db2.gz HIWFJNCLHZOGSS-ZDUSSCGKSA-N -1 1 380.372 3.225 20 30 GGEDMM C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823937391 1428068704 /nfs/dbraw/zinc/06/87/04/1428068704.db2.gz VUOGDWVEVFVFCB-AWEZNQCLSA-N -1 1 394.504 3.434 20 30 GGEDMM C=CCn1c(SCc2cc(-c3nnn[n-]3)ccc2OC)nnc1-c1ccco1 ZINC000819765423 1428131089 /nfs/dbraw/zinc/13/10/89/1428131089.db2.gz PWMWETCLJNCPBN-UHFFFAOYSA-N -1 1 395.448 3.205 20 30 GGEDMM C=C(C)COc1cccc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000823878085 1428157388 /nfs/dbraw/zinc/15/73/88/1428157388.db2.gz OCSJRBVWCGYCLA-UHFFFAOYSA-N -1 1 394.435 3.152 20 30 GGEDMM CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820518507 1428199108 /nfs/dbraw/zinc/19/91/08/1428199108.db2.gz FYXLGXXCRQPPOX-SMDDNHRTSA-N -1 1 382.449 3.090 20 30 GGEDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)OCO2 ZINC000180357468 1429844934 /nfs/dbraw/zinc/84/49/34/1429844934.db2.gz LLAQIQDXONWGLX-UHFFFAOYSA-N -1 1 384.335 3.415 20 30 GGEDMM N#Cc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(F)c1 ZINC000737721637 1429859518 /nfs/dbraw/zinc/85/95/18/1429859518.db2.gz AZZRUFOLQHOAQP-UHFFFAOYSA-N -1 1 379.380 3.220 20 30 GGEDMM CC[C@H](C#N)Oc1cccc(CNC(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000736309797 1429897937 /nfs/dbraw/zinc/89/79/37/1429897937.db2.gz RFQLHDYSHATWPW-CQSZACIVSA-N -1 1 393.476 3.034 20 30 GGEDMM C=C[C@@H](CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883555 1429904235 /nfs/dbraw/zinc/90/42/35/1429904235.db2.gz UAMJTMVDSUEUMW-CABCVRRESA-N -1 1 391.431 3.097 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)nnn1-c1ccc(Cl)cc1 ZINC000822015514 1429952097 /nfs/dbraw/zinc/95/20/97/1429952097.db2.gz LKCLWKMNPRPWPF-SOFGYWHQSA-N -1 1 397.851 3.367 20 30 GGEDMM CC(C)c1ccc(OCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735927759 1429968677 /nfs/dbraw/zinc/96/86/77/1429968677.db2.gz BKKDBQWNPFBFJM-UHFFFAOYSA-N -1 1 376.420 3.269 20 30 GGEDMM CC(C)c1csc([C@@H](C#N)C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000820535790 1429994973 /nfs/dbraw/zinc/99/49/73/1429994973.db2.gz QSTVWYKYBQVTHE-YPMHNXCESA-N -1 1 382.449 3.090 20 30 GGEDMM N#C[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)cc1 ZINC000737674577 1430002595 /nfs/dbraw/zinc/00/25/95/1430002595.db2.gz KNHYTQLFQMDLII-MRXNPFEDSA-N -1 1 398.879 3.134 20 30 GGEDMM C[C@H](Sc1cccc(C#N)c1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820555105 1430034687 /nfs/dbraw/zinc/03/46/87/1430034687.db2.gz GIGKHFYTRZAUFK-JTQLQIEISA-N -1 1 396.501 3.408 20 30 GGEDMM Cc1nn(-c2ccccc2)cc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826332639 1430036435 /nfs/dbraw/zinc/03/64/35/1430036435.db2.gz AQMJSGDNLOKFAT-UHFFFAOYSA-N -1 1 378.827 3.460 20 30 GGEDMM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2C)cc1OCCCC#N ZINC000826203437 1430077605 /nfs/dbraw/zinc/07/76/05/1430077605.db2.gz NUJBOAWSCHQDGD-UHFFFAOYSA-N -1 1 378.436 3.478 20 30 GGEDMM N#Cc1cc(Br)ccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822819113 1430141000 /nfs/dbraw/zinc/14/10/00/1430141000.db2.gz KRRYOICRFNLMBG-UHFFFAOYSA-N -1 1 377.589 3.342 20 30 GGEDMM C=CCCCCCN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000735408913 1430175340 /nfs/dbraw/zinc/17/53/40/1430175340.db2.gz VBBATAUYGMAUCN-ZDUSSCGKSA-N -1 1 388.541 3.422 20 30 GGEDMM C=CCCCCCN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000735408913 1430175343 /nfs/dbraw/zinc/17/53/43/1430175343.db2.gz VBBATAUYGMAUCN-ZDUSSCGKSA-N -1 1 388.541 3.422 20 30 GGEDMM CC(C)(C)OC(=O)N[C@H]1CCCCCC1N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824108679 1430177133 /nfs/dbraw/zinc/17/71/33/1430177133.db2.gz INVWDRWDKWTPBV-HNNXBMFYSA-N -1 1 385.472 3.492 20 30 GGEDMM C#CCCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000819693307 1430177754 /nfs/dbraw/zinc/17/77/54/1430177754.db2.gz PSKKEPXAUXDXBJ-UHFFFAOYSA-N -1 1 394.410 3.120 20 30 GGEDMM Cn1cc(C#N)cc1C(=O)Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1 ZINC000822669941 1430193937 /nfs/dbraw/zinc/19/39/37/1430193937.db2.gz VVEZYAYPYWOUND-UHFFFAOYSA-N -1 1 375.417 3.058 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc([N+](=O)[O-])ccc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202428 1430196918 /nfs/dbraw/zinc/19/69/18/1430196918.db2.gz MIOZBADOGHIIGI-QPJJXVBHSA-N -1 1 398.810 3.381 20 30 GGEDMM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1C1CCCCC1 ZINC000826234579 1430244772 /nfs/dbraw/zinc/24/47/72/1430244772.db2.gz DFBLQDHMJIQKHW-UHFFFAOYSA-N -1 1 376.424 3.001 20 30 GGEDMM Cc1c(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cnn1C(C)C ZINC000181244903 1430255346 /nfs/dbraw/zinc/25/53/46/1430255346.db2.gz VMMIJYYXSJLMLE-ZDUSSCGKSA-N -1 1 395.488 3.439 20 30 GGEDMM CC[C@H](CC#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000183809702 1430799188 /nfs/dbraw/zinc/79/91/88/1430799188.db2.gz XTSMPOZZMJZPEM-OAHLLOKOSA-N -1 1 389.452 3.357 20 30 GGEDMM CC[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000183924376 1430813891 /nfs/dbraw/zinc/81/38/91/1430813891.db2.gz PIKWRSRESFOSTP-OAHLLOKOSA-N -1 1 375.425 3.049 20 30 GGEDMM CC[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000183925331 1430814114 /nfs/dbraw/zinc/81/41/14/1430814114.db2.gz PKDXQBBTGYLAMN-OAHLLOKOSA-N -1 1 389.452 3.357 20 30 GGEDMM COC(=O)[C@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000184038168 1430832748 /nfs/dbraw/zinc/83/27/48/1430832748.db2.gz CENGPPIBOPUMCT-GFCCVEGCSA-N -1 1 392.864 3.364 20 30 GGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184882326 1431011741 /nfs/dbraw/zinc/01/17/41/1431011741.db2.gz LDDGWWXHVWZMLF-OAHLLOKOSA-N -1 1 390.436 3.222 20 30 GGEDMM Cc1c(=O)[n-]c(SCC(=O)NC2(C#N)CCCCC2)nc1-c1ccccc1 ZINC000185050269 1431049318 /nfs/dbraw/zinc/04/93/18/1431049318.db2.gz MLMOXIIRNBPUEU-UHFFFAOYSA-N -1 1 382.489 3.180 20 30 GGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000185617668 1431185682 /nfs/dbraw/zinc/18/56/82/1431185682.db2.gz NGHSUXCSSRGUFJ-UHFFFAOYSA-N -1 1 375.425 3.107 20 30 GGEDMM CCOc1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc(Cl)c1[O-] ZINC000186813093 1431524649 /nfs/dbraw/zinc/52/46/49/1431524649.db2.gz KUFRAUYFKPNDCW-KRWDZBQOSA-N -1 1 399.878 3.294 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CC(F)(F)F)C3)cc1 ZINC000187143387 1431629522 /nfs/dbraw/zinc/62/95/22/1431629522.db2.gz NLIZNPYAEMGSST-UHFFFAOYSA-N -1 1 381.379 3.237 20 30 GGEDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000188085667 1431844699 /nfs/dbraw/zinc/84/46/99/1431844699.db2.gz ISHJCMSNMQEFCM-UHFFFAOYSA-N -1 1 388.518 3.265 20 30 GGEDMM CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188564483 1431895706 /nfs/dbraw/zinc/89/57/06/1431895706.db2.gz GXOUXGYSCIEGLV-LJQANCHMSA-N -1 1 385.414 3.451 20 30 GGEDMM CC(C)(COc1ncccc1C(F)(F)F)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188954353 1432015714 /nfs/dbraw/zinc/01/57/14/1432015714.db2.gz MSQOLVVOEWQCCF-UHFFFAOYSA-N -1 1 379.338 3.265 20 30 GGEDMM COC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000189180196 1432059221 /nfs/dbraw/zinc/05/92/21/1432059221.db2.gz KUWVVJAAWUSRDX-HNNXBMFYSA-N -1 1 392.333 3.317 20 30 GGEDMM C=CCOC(=O)c1sc2[n-]c(COCC(F)(F)C(F)F)nc(=O)c2c1C ZINC000190410926 1432376519 /nfs/dbraw/zinc/37/65/19/1432376519.db2.gz LPRPWQJQQCFYCL-UHFFFAOYSA-N -1 1 394.346 3.053 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1[O-] ZINC000191135919 1432574677 /nfs/dbraw/zinc/57/46/77/1432574677.db2.gz JFNMETMSIAKXDJ-UHFFFAOYSA-N -1 1 398.850 3.297 20 30 GGEDMM CC(C)n1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000191440998 1432662230 /nfs/dbraw/zinc/66/22/30/1432662230.db2.gz HEVIJTZEORTZDS-ZDUSSCGKSA-N -1 1 381.461 3.131 20 30 GGEDMM CC(C)n1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000191440988 1432662409 /nfs/dbraw/zinc/66/24/09/1432662409.db2.gz HEVIJTZEORTZDS-CYBMUJFWSA-N -1 1 381.461 3.131 20 30 GGEDMM C=CCN(CCOC)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000191979128 1432773737 /nfs/dbraw/zinc/77/37/37/1432773737.db2.gz LIBQEDMYGYKVGX-UHFFFAOYSA-N -1 1 388.489 3.070 20 30 GGEDMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000192129368 1432802985 /nfs/dbraw/zinc/80/29/85/1432802985.db2.gz RXOSQIFZGQGWHR-AWEZNQCLSA-N -1 1 392.502 3.297 20 30 GGEDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 ZINC000192128555 1432803017 /nfs/dbraw/zinc/80/30/17/1432803017.db2.gz LBMCFYWFBMQQSY-CQSZACIVSA-N -1 1 392.502 3.126 20 30 GGEDMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000193443166 1432999996 /nfs/dbraw/zinc/99/99/96/1432999996.db2.gz RCARLNLRTLNWMS-CSHXORCISA-N -1 1 384.819 3.371 20 30 GGEDMM C=CCSCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000194491658 1433186917 /nfs/dbraw/zinc/18/69/17/1433186917.db2.gz RWCOLRCIECJNJS-UHFFFAOYSA-N -1 1 390.530 3.445 20 30 GGEDMM C=CCSCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000194505146 1433189107 /nfs/dbraw/zinc/18/91/07/1433189107.db2.gz IRYJYFSAFLLKIK-UHFFFAOYSA-N -1 1 394.493 3.276 20 30 GGEDMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC#Cc2ccccc2)cc1 ZINC000198889433 1433351649 /nfs/dbraw/zinc/35/16/49/1433351649.db2.gz PWXHXTMEVOTNEJ-UHFFFAOYSA-N -1 1 392.484 3.174 20 30 GGEDMM N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000247748606 1433749224 /nfs/dbraw/zinc/74/92/24/1433749224.db2.gz RCPAPZJPIRDHTM-UHFFFAOYSA-N -1 1 398.806 3.128 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2C(C)(C)C)c(=O)o1 ZINC000255356159 1433881125 /nfs/dbraw/zinc/88/11/25/1433881125.db2.gz ICFNXRGHBGTCDC-GDWUOILNSA-N -1 1 378.428 3.398 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C#N)C(C)C)cc2)ccc1F ZINC000264758724 1434152500 /nfs/dbraw/zinc/15/25/00/1434152500.db2.gz MJNYUSNZBABDJD-GOSISDBHSA-N -1 1 389.452 3.213 20 30 GGEDMM CCN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000267432414 1434432326 /nfs/dbraw/zinc/43/23/26/1434432326.db2.gz WXRYAMJIKGRUTC-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM CCN(CCC#N)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000267926726 1434477862 /nfs/dbraw/zinc/47/78/62/1434477862.db2.gz ZZLSWJAZWZYYLO-UHFFFAOYSA-N -1 1 389.452 3.311 20 30 GGEDMM CSc1nc(C)c(CCC(=O)Nc2ccc(OC(C)C)c(C#N)c2)c(=O)[n-]1 ZINC000269413823 1434641340 /nfs/dbraw/zinc/64/13/40/1434641340.db2.gz SJJDSYXSMDYIKV-UHFFFAOYSA-N -1 1 386.477 3.443 20 30 GGEDMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC(C)C)c(C#N)c3)ccc21 ZINC000269415322 1434641790 /nfs/dbraw/zinc/64/17/90/1434641790.db2.gz YABTYPARAMBDHI-UHFFFAOYSA-N -1 1 399.472 3.055 20 30 GGEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269587422 1434661556 /nfs/dbraw/zinc/66/15/56/1434661556.db2.gz AOWOIOFSAONEIZ-UHFFFAOYSA-N -1 1 399.454 3.162 20 30 GGEDMM C=CCN(C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C1CC1 ZINC000271482344 1434828399 /nfs/dbraw/zinc/82/83/99/1434828399.db2.gz IJOMKSTXIDYQDY-UHFFFAOYSA-N -1 1 385.489 3.347 20 30 GGEDMM COC(=O)c1cnc(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)[n-]1 ZINC000278578024 1435401829 /nfs/dbraw/zinc/40/18/29/1435401829.db2.gz FJUICPOMHWQLCJ-AWEZNQCLSA-N -1 1 386.477 3.241 20 30 GGEDMM COC(=O)c1c[n-]c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000278578024 1435401833 /nfs/dbraw/zinc/40/18/33/1435401833.db2.gz FJUICPOMHWQLCJ-AWEZNQCLSA-N -1 1 386.477 3.241 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000279832365 1435548495 /nfs/dbraw/zinc/54/84/95/1435548495.db2.gz CCQQERSMQMIUPN-UHFFFAOYSA-N -1 1 386.473 3.359 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000279898987 1435559963 /nfs/dbraw/zinc/55/99/63/1435559963.db2.gz ISYHSYHWHRVMTJ-RBUKOAKNSA-N -1 1 386.473 3.236 20 30 GGEDMM CCC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000279901035 1435560277 /nfs/dbraw/zinc/56/02/77/1435560277.db2.gz JAJKMPJZMJZTBG-UHFFFAOYSA-N -1 1 385.489 3.472 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1N1CCCCC1=O ZINC000279931264 1435565597 /nfs/dbraw/zinc/56/55/97/1435565597.db2.gz LMLKVEYONSOTHS-UHFFFAOYSA-N -1 1 399.472 3.079 20 30 GGEDMM CC(C)(C#N)c1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1 ZINC000281758574 1435821009 /nfs/dbraw/zinc/82/10/09/1435821009.db2.gz PWPGPZMYHAUSNQ-UHFFFAOYSA-N -1 1 381.398 3.018 20 30 GGEDMM C=CCn1c(CC2CCCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000282608664 1435853595 /nfs/dbraw/zinc/85/35/95/1435853595.db2.gz NFZACEAYBHYKIM-UHFFFAOYSA-N -1 1 399.461 3.092 20 30 GGEDMM Brc1ccc(NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC000819689125 1441443534 /nfs/dbraw/zinc/44/35/34/1441443534.db2.gz VUUDYUZCOWPJRD-UHFFFAOYSA-N -1 1 384.241 3.177 20 30 GGEDMM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736192261 1441502189 /nfs/dbraw/zinc/50/21/89/1441502189.db2.gz LSYLGQFQTAKRDR-CYBMUJFWSA-N -1 1 396.451 3.433 20 30 GGEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2c(Br)cccc21 ZINC000823504463 1441511964 /nfs/dbraw/zinc/51/19/64/1441511964.db2.gz QJWOVGFBKMMXKA-VURMDHGXSA-N -1 1 389.234 3.349 20 30 GGEDMM Cc1nc(SCC(=O)Nc2cccc(C#N)c2C)c(-c2nnn[n-]2)c(C)c1C ZINC000822452966 1441530651 /nfs/dbraw/zinc/53/06/51/1441530651.db2.gz CQINQGWIFMVCSJ-UHFFFAOYSA-N -1 1 393.476 3.098 20 30 GGEDMM N#Cc1ccc(OCc2ccc(C(=O)Nc3sccc3-c3nnn[n-]3)o2)cc1 ZINC000737721255 1441533832 /nfs/dbraw/zinc/53/38/32/1441533832.db2.gz IJWSAFQEIYYCAP-UHFFFAOYSA-N -1 1 392.400 3.224 20 30 GGEDMM C=CCN(Cc1nnc(-c2cccc(F)c2)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745900 1441538812 /nfs/dbraw/zinc/53/88/12/1441538812.db2.gz UBLMTYPPZJQCCK-UHFFFAOYSA-N -1 1 391.410 3.244 20 30 GGEDMM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000820151448 1441546936 /nfs/dbraw/zinc/54/69/36/1441546936.db2.gz HVHZNNKVBMKOHV-ZDUSSCGKSA-N -1 1 391.435 3.408 20 30 GGEDMM Cc1ccc(OC(F)F)c(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1 ZINC000822259490 1441591379 /nfs/dbraw/zinc/59/13/79/1441591379.db2.gz ZBIZGMKKUXCMQE-UHFFFAOYSA-N -1 1 377.355 3.334 20 30 GGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)c1)O[C@@H](C)C2 ZINC000826178877 1441714263 /nfs/dbraw/zinc/71/42/63/1441714263.db2.gz PKSQSINZGWLJEC-QZPNVGJNSA-N -1 1 380.379 3.234 20 30 GGEDMM CC[C@H](C#N)Oc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1 ZINC000820843005 1441721859 /nfs/dbraw/zinc/72/18/59/1441721859.db2.gz RZONNDAFIKUTER-OAHLLOKOSA-N -1 1 385.431 3.130 20 30 GGEDMM Cc1c(Br)cccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000822015520 1441745975 /nfs/dbraw/zinc/74/59/75/1441745975.db2.gz LSQKIVPWYCYGIA-UHFFFAOYSA-N -1 1 383.209 3.062 20 30 GGEDMM C=C(C)CN(CC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735399210 1441749683 /nfs/dbraw/zinc/74/96/83/1441749683.db2.gz QNDJHTGSXXRBOI-CYBMUJFWSA-N -1 1 388.541 3.422 20 30 GGEDMM CCn1c2ccccc2nc1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000736720128 1441759874 /nfs/dbraw/zinc/75/98/74/1441759874.db2.gz IRZVZUDXSFBXIE-UHFFFAOYSA-N -1 1 379.428 3.184 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)Cc1ccccc1F ZINC000735419221 1441763136 /nfs/dbraw/zinc/76/31/36/1441763136.db2.gz QIARMABEBUFJAJ-OAHLLOKOSA-N -1 1 379.439 3.399 20 30 GGEDMM CC(C)(CN=Nc1cccc(-c2nnn[n-]2)c1)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000819976593 1441763787 /nfs/dbraw/zinc/76/37/87/1441763787.db2.gz YLFUKPVTFBEDCO-QGZVFWFLSA-N -1 1 379.424 3.351 20 30 GGEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccc(C)cc1 ZINC000823937291 1441773896 /nfs/dbraw/zinc/77/38/96/1441773896.db2.gz QEKBWGUYFUXUAE-UHFFFAOYSA-N -1 1 376.449 3.166 20 30 GGEDMM COc1ccc(CN=Nc2ncc(C(F)(F)F)cc2Cl)cc1-c1nn[n-]n1 ZINC000737083301 1441801048 /nfs/dbraw/zinc/80/10/48/1441801048.db2.gz PBFRDWMADGTXII-UHFFFAOYSA-N -1 1 397.748 3.389 20 30 GGEDMM COc1ccc(C=NNc2ncc(C(F)(F)F)cc2Cl)cc1-c1nnn[n-]1 ZINC000737083301 1441801051 /nfs/dbraw/zinc/80/10/51/1441801051.db2.gz PBFRDWMADGTXII-UHFFFAOYSA-N -1 1 397.748 3.389 20 30 GGEDMM COc1ccc(CN=Nc2ncc(C(F)(F)F)cc2Cl)cc1-c1nnn[n-]1 ZINC000737083301 1441801053 /nfs/dbraw/zinc/80/10/53/1441801053.db2.gz PBFRDWMADGTXII-UHFFFAOYSA-N -1 1 397.748 3.389 20 30 GGEDMM C=CCSc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823937451 1441805263 /nfs/dbraw/zinc/80/52/63/1441805263.db2.gz YGUQLYJTLUKVQS-CQSZACIVSA-N -1 1 394.504 3.434 20 30 GGEDMM C=CCSc1ccccc1NC(=O)CN[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823937451 1441805266 /nfs/dbraw/zinc/80/52/66/1441805266.db2.gz YGUQLYJTLUKVQS-CQSZACIVSA-N -1 1 394.504 3.434 20 30 GGEDMM CC(C)c1ccc(C(=O)[C@@H](C)Sc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000736193595 1441806792 /nfs/dbraw/zinc/80/67/92/1441806792.db2.gz STVJOHRXKREBJZ-LLVKDONJSA-N -1 1 393.476 3.202 20 30 GGEDMM N#C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1nc(-c2ccccc2)cs1 ZINC000826379673 1441807545 /nfs/dbraw/zinc/80/75/45/1441807545.db2.gz YMLWMGNTUOMAAH-OAHLLOKOSA-N -1 1 387.428 3.236 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COCC=Cc1ccccc1 ZINC000819743661 1441838739 /nfs/dbraw/zinc/83/87/39/1441838739.db2.gz NNHUFKLJBYRWJQ-YRNVUSSQSA-N -1 1 389.459 3.111 20 30 GGEDMM C[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(C#N)cc1 ZINC000736137339 1441864632 /nfs/dbraw/zinc/86/46/32/1441864632.db2.gz JSOBEXUTRRDXJZ-NSHDSACASA-N -1 1 386.375 3.368 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H](C)c1c(C)noc1C ZINC000823909382 1441871438 /nfs/dbraw/zinc/87/14/38/1441871438.db2.gz AZYJXZIRRSEKKB-CYBMUJFWSA-N -1 1 380.452 3.180 20 30 GGEDMM C=C(C)[C@H](CC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC)OCC ZINC000823874083 1441884627 /nfs/dbraw/zinc/88/46/27/1441884627.db2.gz SEELFCBCOKLONM-ZDUSSCGKSA-N -1 1 380.832 3.196 20 30 GGEDMM CCOCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000825605631 1441907117 /nfs/dbraw/zinc/90/71/17/1441907117.db2.gz ZHIUAUGUSSXYBG-XBXARRHUSA-N -1 1 382.395 3.447 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(OC(F)F)c1 ZINC000737808440 1441936958 /nfs/dbraw/zinc/93/69/58/1441936958.db2.gz TXLQJNIYQPEKQX-WAYWQWQTSA-N -1 1 382.330 3.012 20 30 GGEDMM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737329799 1441944831 /nfs/dbraw/zinc/94/48/31/1441944831.db2.gz LBXJPIZEKFQNJR-UHFFFAOYSA-N -1 1 383.415 3.398 20 30 GGEDMM N#CCC1(COC(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000822806923 1441953559 /nfs/dbraw/zinc/95/35/59/1441953559.db2.gz VZXYIZHOTXSKRP-UHFFFAOYSA-N -1 1 389.415 3.296 20 30 GGEDMM Clc1ccccc1C#CCN1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826353292 1441991518 /nfs/dbraw/zinc/99/15/18/1441991518.db2.gz JIJLTYWXINHMQA-UHFFFAOYSA-N -1 1 392.894 3.084 20 30 GGEDMM COc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826187869 1442024485 /nfs/dbraw/zinc/02/44/85/1442024485.db2.gz HBQZXTGXBWGBKN-UHFFFAOYSA-N -1 1 387.241 3.474 20 30 GGEDMM N#Cc1ccc(NC(=O)c2occc2COc2ccccc2)cc1-c1nnn[n-]1 ZINC000737719009 1442044740 /nfs/dbraw/zinc/04/47/40/1442044740.db2.gz OKNFFGMVLYILAF-UHFFFAOYSA-N -1 1 386.371 3.163 20 30 GGEDMM N#CCc1ccnc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822815709 1442051820 /nfs/dbraw/zinc/05/18/20/1442051820.db2.gz YCXLVURBKZCPPU-UHFFFAOYSA-N -1 1 397.398 3.372 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(F)(F)c1ccc(C)cc1 ZINC000823909971 1442077085 /nfs/dbraw/zinc/07/70/85/1442077085.db2.gz UPSHBHNCRKJRMR-UHFFFAOYSA-N -1 1 383.402 3.482 20 30 GGEDMM O=C1c2ccc(Br)cc2OCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826476032 1442089441 /nfs/dbraw/zinc/08/94/41/1442089441.db2.gz ZHYKDPIAIRROHC-KPKJPENVSA-N -1 1 383.205 3.288 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2ncccc2C(F)(F)F)o1 ZINC000824141500 1442106792 /nfs/dbraw/zinc/10/67/92/1442106792.db2.gz IQGCCFOIIMQYSZ-UHFFFAOYSA-N -1 1 380.334 3.012 20 30 GGEDMM N#CCC[C@@H](C#N)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000737681353 1442107744 /nfs/dbraw/zinc/10/77/44/1442107744.db2.gz CZKLCXNHNHJXQV-HNNXBMFYSA-N -1 1 391.410 3.440 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000737203323 1442114265 /nfs/dbraw/zinc/11/42/65/1442114265.db2.gz SYQCPSCSAGPYQY-YVMONPNESA-N -1 1 394.347 3.196 20 30 GGEDMM Cc1nnc(NCc2ccc(-c3ccccc3C#N)cc2)c(-c2nnn[n-]2)c1C ZINC000826336756 1442155185 /nfs/dbraw/zinc/15/51/85/1442155185.db2.gz MHJRGIWMZRTMLZ-UHFFFAOYSA-N -1 1 382.431 3.424 20 30 GGEDMM COc1cc(C=NOCCOc2cccc(-c3nnn[n-]3)c2)ccc1OC(C)C ZINC000826178604 1442175047 /nfs/dbraw/zinc/17/50/47/1442175047.db2.gz FAWSDUQYCFIMCO-UHFFFAOYSA-N -1 1 397.435 3.092 20 30 GGEDMM C=CCCCN(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735412927 1442182839 /nfs/dbraw/zinc/18/28/39/1442182839.db2.gz MZNBNJUFCWJZJU-UHFFFAOYSA-N -1 1 377.448 3.484 20 30 GGEDMM C=CCN(CC=C)C(=O)COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819739780 1442201665 /nfs/dbraw/zinc/20/16/65/1442201665.db2.gz HHTRKKDGJMTNJX-UHFFFAOYSA-N -1 1 391.431 3.238 20 30 GGEDMM CC(=NNCc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953544 1442209261 /nfs/dbraw/zinc/20/92/61/1442209261.db2.gz FVRVOLFVARUDCT-UHFFFAOYSA-N -1 1 389.232 3.282 20 30 GGEDMM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccccc1SCC#N ZINC000736040542 1442218405 /nfs/dbraw/zinc/21/84/05/1442218405.db2.gz PIKHRBBHROHESV-CYBMUJFWSA-N -1 1 395.444 3.107 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826383631 1442228960 /nfs/dbraw/zinc/22/89/60/1442228960.db2.gz JMDSITJCTOYGJO-UHFFFAOYSA-N -1 1 391.284 3.253 20 30 GGEDMM CCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1OC ZINC000736643306 1442251456 /nfs/dbraw/zinc/25/14/56/1442251456.db2.gz GVFXUUVPKNQYRH-VQHVLOKHSA-N -1 1 393.447 3.226 20 30 GGEDMM N#Cc1ccccc1COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737727000 1442278171 /nfs/dbraw/zinc/27/81/71/1442278171.db2.gz AVUGEXAFQZNWBM-UHFFFAOYSA-N -1 1 377.404 3.031 20 30 GGEDMM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735756454 1442302039 /nfs/dbraw/zinc/30/20/39/1442302039.db2.gz OLDCSVAPXBIZTI-HXUWFJFHSA-N -1 1 391.435 3.112 20 30 GGEDMM CCN(C(=O)c1c(F)cc(C#N)cc1F)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825375975 1442319751 /nfs/dbraw/zinc/31/97/51/1442319751.db2.gz BGZWMVHRQNLVFB-UHFFFAOYSA-N -1 1 388.765 3.337 20 30 GGEDMM N#Cc1cc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1Cl ZINC000822823443 1442393865 /nfs/dbraw/zinc/39/38/65/1442393865.db2.gz QHHDFCYFZBODBH-UHFFFAOYSA-N -1 1 378.783 3.054 20 30 GGEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735660436 1442445117 /nfs/dbraw/zinc/44/51/17/1442445117.db2.gz ANUXYRIYENTRBV-UHFFFAOYSA-N -1 1 395.492 3.167 20 30 GGEDMM CC(C)[C@@H](C#N)OC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820016064 1442446615 /nfs/dbraw/zinc/44/66/15/1442446615.db2.gz JADOFKBKXQPSJC-GOSISDBHSA-N -1 1 377.404 3.151 20 30 GGEDMM N#Cc1ccc2c(c1)N(C(=S)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000826386065 1442448258 /nfs/dbraw/zinc/44/82/58/1442448258.db2.gz NORIOWXTVAXMID-UHFFFAOYSA-N -1 1 381.852 3.151 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2cc(O)ccc2c1 ZINC000822934869 1442468701 /nfs/dbraw/zinc/46/87/01/1442468701.db2.gz DUQGVFVNHBCQAQ-FNORWQNLSA-N -1 1 382.383 3.269 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203445 1442488048 /nfs/dbraw/zinc/48/80/48/1442488048.db2.gz UHGDRNIDPMLJIN-ALCCZGGFSA-N -1 1 398.810 3.381 20 30 GGEDMM COCC#CCOC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826146783 1443066177 /nfs/dbraw/zinc/06/61/77/1443066177.db2.gz CZYXWGLSFJTKFE-UHFFFAOYSA-N -1 1 398.806 3.119 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnc(Cl)c(C)c1 ZINC000819745639 1443091734 /nfs/dbraw/zinc/09/17/34/1443091734.db2.gz NICQPIYUYVYKMP-UHFFFAOYSA-N -1 1 383.843 3.444 20 30 GGEDMM CCOc1ccc(N(CCC#N)C(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736644005 1443130687 /nfs/dbraw/zinc/13/06/87/1443130687.db2.gz DHFNKRBVAOUCMA-UHFFFAOYSA-N -1 1 390.447 3.145 20 30 GGEDMM C#Cc1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)nc1 ZINC000819710156 1443144450 /nfs/dbraw/zinc/14/44/50/1443144450.db2.gz XWFOXDXPKHPCEZ-UHFFFAOYSA-N -1 1 383.367 3.255 20 30 GGEDMM C=CCOc1cccc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000823931662 1443156857 /nfs/dbraw/zinc/15/68/57/1443156857.db2.gz CQLHLXKVHRTSJW-HXUWFJFHSA-N -1 1 377.448 3.005 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)CCOc1ccccc1 ZINC000819744033 1443184857 /nfs/dbraw/zinc/18/48/57/1443184857.db2.gz UHUDLEFTCWKBQX-KRWDZBQOSA-N -1 1 391.475 3.487 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](c1cccnc1)C1CC1 ZINC000823909991 1443218006 /nfs/dbraw/zinc/21/80/06/1443218006.db2.gz VHOBIIPCDVKMAT-LJQANCHMSA-N -1 1 389.463 3.111 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234359 1443240137 /nfs/dbraw/zinc/24/01/37/1443240137.db2.gz SDZOVDKCYPTSJN-ALCCZGGFSA-N -1 1 398.810 3.381 20 30 GGEDMM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826213596 1443274725 /nfs/dbraw/zinc/27/47/25/1443274725.db2.gz DCLOWXRGCCYAMJ-SOFGYWHQSA-N -1 1 390.378 3.301 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(C(F)(F)F)c1 ZINC000737809389 1443285907 /nfs/dbraw/zinc/28/59/07/1443285907.db2.gz VXAXKIUICIUZAR-AATRIKPKSA-N -1 1 384.321 3.429 20 30 GGEDMM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822802203 1443308842 /nfs/dbraw/zinc/30/88/42/1443308842.db2.gz WVCBLCGZIIUQEN-PBHICJAKSA-N -1 1 390.472 3.440 20 30 GGEDMM CC(C)c1ccc(-c2nc(Cn3cnc(-c4nn[n-]n4)c3C#N)cs2)cc1 ZINC000824347620 1443315731 /nfs/dbraw/zinc/31/57/31/1443315731.db2.gz HSJYZVJTVRUYRH-UHFFFAOYSA-N -1 1 376.449 3.230 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(F)cc1Cl ZINC000819743492 1443426694 /nfs/dbraw/zinc/42/66/94/1443426694.db2.gz KPMHZXJWBZCXTM-UHFFFAOYSA-N -1 1 385.830 3.417 20 30 GGEDMM O=C(C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1cnccn1 ZINC000737801804 1443434231 /nfs/dbraw/zinc/43/42/31/1443434231.db2.gz UMYKRGDQQOEHJW-HJWRWDBZSA-N -1 1 384.399 3.132 20 30 GGEDMM C=C(C)CN(CC)C(=O)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735398636 1443451258 /nfs/dbraw/zinc/45/12/58/1443451258.db2.gz MOEWJHDZVXJJKE-UHFFFAOYSA-N -1 1 394.504 3.445 20 30 GGEDMM C=CCCS(=O)(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823899143 1443451951 /nfs/dbraw/zinc/45/19/51/1443451951.db2.gz NKYKWNARBQIPRJ-AWEZNQCLSA-N -1 1 383.477 3.090 20 30 GGEDMM N#CC1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000737680256 1443456122 /nfs/dbraw/zinc/45/61/22/1443456122.db2.gz ZHKHFUWHTOKSHF-UHFFFAOYSA-N -1 1 389.419 3.426 20 30 GGEDMM Cc1c(Cl)cccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822035019 1443457311 /nfs/dbraw/zinc/45/73/11/1443457311.db2.gz OKYSKNKDUYEBRV-UHFFFAOYSA-N -1 1 377.886 3.211 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc2ccccc2n1 ZINC000735420840 1443476270 /nfs/dbraw/zinc/47/62/70/1443476270.db2.gz UTOFIMJGCNVEKP-UHFFFAOYSA-N -1 1 399.458 3.313 20 30 GGEDMM Cc1c(C(=O)C=Cc2cnn(C(C)C)c2)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737202555 1443484940 /nfs/dbraw/zinc/48/49/40/1443484940.db2.gz NMUCVCVJCYMUIS-WTKPLQERSA-N -1 1 388.435 3.034 20 30 GGEDMM N#CCc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826382862 1443493771 /nfs/dbraw/zinc/49/37/71/1443493771.db2.gz YCBPILXEHCSZIF-UHFFFAOYSA-N -1 1 398.220 3.052 20 30 GGEDMM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1C(F)(F)F ZINC000735552771 1443513184 /nfs/dbraw/zinc/51/31/84/1443513184.db2.gz YZHTZDKCOJVUGC-JTQLQIEISA-N -1 1 386.337 3.499 20 30 GGEDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000821104637 1443518776 /nfs/dbraw/zinc/51/87/76/1443518776.db2.gz LEQHCAJMMXBUFU-HNNXBMFYSA-N -1 1 389.463 3.421 20 30 GGEDMM CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820882170 1443575562 /nfs/dbraw/zinc/57/55/62/1443575562.db2.gz LSBWWEIJAXITLH-RISCZKNCSA-N -1 1 394.460 3.403 20 30 GGEDMM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(OC)c1 ZINC000737081840 1443576201 /nfs/dbraw/zinc/57/62/01/1443576201.db2.gz CWEBAHZQHDGHCZ-UHFFFAOYSA-N -1 1 392.341 3.349 20 30 GGEDMM N#Cc1cc(NC(=O)COc2ccccc2-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737709681 1443597445 /nfs/dbraw/zinc/59/74/45/1443597445.db2.gz PPWJEUDYCCQAEK-UHFFFAOYSA-N -1 1 396.410 3.423 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](C)C(=O)c1ccccc1 ZINC000735418825 1443605193 /nfs/dbraw/zinc/60/51/93/1443605193.db2.gz JPFBGIXOLADCIL-INIZCTEOSA-N -1 1 389.459 3.290 20 30 GGEDMM CC(C)C[C@@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735758241 1443622440 /nfs/dbraw/zinc/62/24/40/1443622440.db2.gz YMEXSGVVMBKVNQ-KRWDZBQOSA-N -1 1 390.447 3.114 20 30 GGEDMM C=CCn1c(C)cc(C(=O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1C ZINC000819758992 1443629243 /nfs/dbraw/zinc/62/92/43/1443629243.db2.gz KHZUJKPMTPKROP-UHFFFAOYSA-N -1 1 390.491 3.318 20 30 GGEDMM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000825603769 1443632720 /nfs/dbraw/zinc/63/27/20/1443632720.db2.gz BTIWPZYFKHHYRI-VMPITWQZSA-N -1 1 398.394 3.318 20 30 GGEDMM CCC(CSc1ccccc1[N+](=O)[O-])N=Nc1oc(C)nc1-c1nnn[n-]1 ZINC000825127848 1443644246 /nfs/dbraw/zinc/64/42/46/1443644246.db2.gz OWHXIFUBSUJAKM-UHFFFAOYSA-N -1 1 388.413 3.042 20 30 GGEDMM COc1cccc(C=CC(=O)c2cnn(-c3ccc(-c4nnn[n-]4)cc3)c2C)c1 ZINC000737130763 1443647588 /nfs/dbraw/zinc/64/75/88/1443647588.db2.gz RKEQXWNPPSDRIL-IZZDOVSWSA-N -1 1 386.415 3.266 20 30 GGEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000820342092 1443655422 /nfs/dbraw/zinc/65/54/22/1443655422.db2.gz SZQTYOXNZOTRKM-OAHLLOKOSA-N -1 1 389.463 3.420 20 30 GGEDMM N#Cc1c2c(sc1NC(=O)c1ccc(-c3nnn[n-]3)nc1)CCCCCC2 ZINC000737704377 1443665027 /nfs/dbraw/zinc/66/50/27/1443665027.db2.gz FCKDDIGXGFWGFL-UHFFFAOYSA-N -1 1 379.449 3.106 20 30 GGEDMM N#Cc1ccccc1N(Cc1ccco1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822842530 1443694256 /nfs/dbraw/zinc/69/42/56/1443694256.db2.gz MPAMOVHKCHVYNR-UHFFFAOYSA-N -1 1 376.401 3.240 20 30 GGEDMM C[C@@H](C#N)CN(C(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000824034387 1443720308 /nfs/dbraw/zinc/72/03/08/1443720308.db2.gz IVYIFJRDPJDASI-AWEZNQCLSA-N -1 1 387.447 3.375 20 30 GGEDMM CC(C)(C#N)CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824059110 1443729301 /nfs/dbraw/zinc/72/93/01/1443729301.db2.gz MTLJSRLPZRZXCE-UHFFFAOYSA-N -1 1 377.408 3.330 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822802012 1443731801 /nfs/dbraw/zinc/73/18/01/1443731801.db2.gz UDVHBXVOTBOKHI-IAGOWNOFSA-N -1 1 375.392 3.051 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccc(CC#N)cc1 ZINC000824206758 1443749967 /nfs/dbraw/zinc/74/99/67/1443749967.db2.gz IBBDBTUGBUCFCB-IBGZPJMESA-N -1 1 391.431 3.080 20 30 GGEDMM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824514584 1443752216 /nfs/dbraw/zinc/75/22/16/1443752216.db2.gz OWNFNFSSBYEZAI-CYBMUJFWSA-N -1 1 383.415 3.224 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000823909996 1443752787 /nfs/dbraw/zinc/75/27/87/1443752787.db2.gz VOMYKXWYITVXPP-LPHOPBHVSA-N -1 1 383.496 3.223 20 30 GGEDMM C=CCOc1cccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000823932411 1443755142 /nfs/dbraw/zinc/75/51/42/1443755142.db2.gz XJZUYEBHQNBLNA-UHFFFAOYSA-N -1 1 391.410 3.368 20 30 GGEDMM C[C@@H](OC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C(C)(C)C#N ZINC000824723268 1443757290 /nfs/dbraw/zinc/75/72/90/1443757290.db2.gz OLSCFFGKMKARJB-GFCCVEGCSA-N -1 1 381.392 3.134 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000819743560 1443767687 /nfs/dbraw/zinc/76/76/87/1443767687.db2.gz LYBWDHGIAGWZTP-REWPJTCUSA-N -1 1 385.471 3.285 20 30 GGEDMM COc1cc(C=NOCCOc2ccccc2-c2nnn[n-]2)ccc1OC(C)C ZINC000826179023 1443780602 /nfs/dbraw/zinc/78/06/02/1443780602.db2.gz VLLKXRBYFCVSOC-UHFFFAOYSA-N -1 1 397.435 3.092 20 30 GGEDMM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000822650012 1443786263 /nfs/dbraw/zinc/78/62/63/1443786263.db2.gz PTEJEPFNDMNWLR-UHFFFAOYSA-N -1 1 385.387 3.121 20 30 GGEDMM COc1ccc(CNc2c(C#N)cnc3c(F)cc(F)cc32)cc1-c1nn[n-]n1 ZINC000826203581 1443808243 /nfs/dbraw/zinc/80/82/43/1443808243.db2.gz WMUOCGOARAJCAE-UHFFFAOYSA-N -1 1 393.357 3.185 20 30 GGEDMM N#CCn1c(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)cc2ccccc21 ZINC000737697483 1443823381 /nfs/dbraw/zinc/82/33/81/1443823381.db2.gz HMNTYROUFNTOCF-UHFFFAOYSA-N -1 1 389.444 3.147 20 30 GGEDMM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000820555447 1443827285 /nfs/dbraw/zinc/82/72/85/1443827285.db2.gz LGEDFJISAVVAOO-JTQLQIEISA-N -1 1 396.501 3.408 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822800912 1443844246 /nfs/dbraw/zinc/84/42/46/1443844246.db2.gz AUMNOTWTLXUQHI-NHCUHLMSSA-N -1 1 388.475 3.407 20 30 GGEDMM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)c2)cc1 ZINC000737720851 1443845666 /nfs/dbraw/zinc/84/56/66/1443845666.db2.gz AJFMSNVCSSHFBY-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)CCCO2 ZINC000825028022 1443876700 /nfs/dbraw/zinc/87/67/00/1443876700.db2.gz CRQYAUAXDRYOBV-UHFFFAOYSA-N -1 1 383.843 3.466 20 30 GGEDMM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000821347513 1443877480 /nfs/dbraw/zinc/87/74/80/1443877480.db2.gz WMLSJVVUISTNTF-UXBLZVDNSA-N -1 1 384.417 3.219 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(OC(F)F)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204266 1443889093 /nfs/dbraw/zinc/88/90/93/1443889093.db2.gz YSIDTKGFFKOCSK-RMKNXTFCSA-N -1 1 385.374 3.420 20 30 GGEDMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000737279719 1443923468 /nfs/dbraw/zinc/92/34/68/1443923468.db2.gz PPUHMPUYPYIZDK-NSHDSACASA-N -1 1 382.811 3.106 20 30 GGEDMM O=C(OCC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823397246 1443932395 /nfs/dbraw/zinc/93/23/95/1443932395.db2.gz UFFGTUMIYPJKDA-UHFFFAOYSA-N -1 1 394.334 3.035 20 30 GGEDMM C[C@@H](NCc1ccc(C#N)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000824612308 1443936422 /nfs/dbraw/zinc/93/64/22/1443936422.db2.gz MSQTZYCBAXLKQN-LLVKDONJSA-N -1 1 383.253 3.352 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000735418614 1443939452 /nfs/dbraw/zinc/93/94/52/1443939452.db2.gz HPJNKVZMZHJCQM-YWZLYKJASA-N -1 1 388.475 3.498 20 30 GGEDMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1Cl ZINC000737279735 1443956383 /nfs/dbraw/zinc/95/63/83/1443956383.db2.gz PVFXJRNLHUNXGA-LLVKDONJSA-N -1 1 382.811 3.106 20 30 GGEDMM N#Cc1ccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000822823463 1443960834 /nfs/dbraw/zinc/96/08/34/1443960834.db2.gz RHIFJWZAZUVNJU-UHFFFAOYSA-N -1 1 379.430 3.176 20 30 GGEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824034792 1443994372 /nfs/dbraw/zinc/99/43/72/1443994372.db2.gz PFXQFCSVAMELOL-STQMWFEESA-N -1 1 377.408 3.040 20 30 GGEDMM Cc1cc(C(=O)N2CCC(C)(C#N)CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826257577 1444011094 /nfs/dbraw/zinc/01/10/94/1444011094.db2.gz HYXHMJOPOPDFRM-UHFFFAOYSA-N -1 1 389.463 3.040 20 30 GGEDMM C=CCN(Cc1cc(C(=O)OC)sc1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745481 1446122338 /nfs/dbraw/zinc/12/23/38/1446122338.db2.gz FYQGQTSCAAGGAI-UHFFFAOYSA-N -1 1 383.477 3.211 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCC1(C#N)CCCCC1 ZINC000826175671 1446162134 /nfs/dbraw/zinc/16/21/34/1446162134.db2.gz MIFXIAJVRIIGHE-UHFFFAOYSA-N -1 1 399.451 3.052 20 30 GGEDMM O=[N+]([O-])c1cccc(-c2ccc(C=NNCc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000823644156 1446185775 /nfs/dbraw/zinc/18/57/75/1446185775.db2.gz GKEBIFUVDXJDKT-UHFFFAOYSA-N -1 1 389.375 3.159 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000823914466 1446207668 /nfs/dbraw/zinc/20/76/68/1446207668.db2.gz JKDFRELEPAUHCN-HNNXBMFYSA-N -1 1 396.476 3.003 20 30 GGEDMM C=CCOc1ccccc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823931993 1446209102 /nfs/dbraw/zinc/20/91/02/1446209102.db2.gz KBBCJBQQDQTGPQ-HXUWFJFHSA-N -1 1 377.448 3.005 20 30 GGEDMM C=CCCOCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819739860 1446230093 /nfs/dbraw/zinc/23/00/93/1446230093.db2.gz JJPLEHDKJJTYDB-UHFFFAOYSA-N -1 1 383.383 3.329 20 30 GGEDMM C=CCN(Cc1ccccc1F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745567 1446238982 /nfs/dbraw/zinc/23/89/82/1446238982.db2.gz KDZSFHRRAJYMNF-AWEZNQCLSA-N -1 1 380.427 3.465 20 30 GGEDMM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826383820 1446239873 /nfs/dbraw/zinc/23/98/73/1446239873.db2.gz RRLFZZLKFBPODO-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM C#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000735389662 1446253828 /nfs/dbraw/zinc/25/38/28/1446253828.db2.gz FNANQKRIVGZLRZ-UHFFFAOYSA-N -1 1 382.383 3.288 20 30 GGEDMM C#CCOc1ccc2ccccc2c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000819710131 1446269437 /nfs/dbraw/zinc/26/94/37/1446269437.db2.gz WWRSRRFRBUMKFP-UHFFFAOYSA-N -1 1 382.427 3.156 20 30 GGEDMM CCOC(=O)Nc1ccc(N=Cc2cccc(OCC)c2O)cc1-c1nnn[n-]1 ZINC000825523757 1446285899 /nfs/dbraw/zinc/28/58/99/1446285899.db2.gz UCTOCYUSIXURFJ-UHFFFAOYSA-N -1 1 396.407 3.290 20 30 GGEDMM COc1cc2c(cc1C=C1CCc3cc(-c4nnn[n-]4)ccc3C1=O)O[C@@H](C)C2 ZINC000821728366 1446290905 /nfs/dbraw/zinc/29/09/05/1446290905.db2.gz VGAWPEYLDWAEJP-IGVUGNCQSA-N -1 1 388.427 3.411 20 30 GGEDMM C[C@@H](c1ccc(C#N)cc1)N1CCN([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736197881 1446309147 /nfs/dbraw/zinc/30/91/47/1446309147.db2.gz CPDHVZYNCQZTRA-IRXDYDNUSA-N -1 1 387.491 3.178 20 30 GGEDMM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(Br)c1 ZINC000826282588 1446326466 /nfs/dbraw/zinc/32/64/66/1446326466.db2.gz VUFKSQBWBSYHJH-UHFFFAOYSA-N -1 1 383.209 3.062 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnn1C1CCCC1 ZINC000819746047 1446332011 /nfs/dbraw/zinc/33/20/11/1446332011.db2.gz YTVFTBMUXNDIEA-UHFFFAOYSA-N -1 1 377.452 3.007 20 30 GGEDMM N#C[C@H](C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)c1ccccn1 ZINC000737672669 1446338514 /nfs/dbraw/zinc/33/85/14/1446338514.db2.gz JHGZIQUHHIJWHT-IBGZPJMESA-N -1 1 396.410 3.331 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(C)c1ccccc1OC ZINC000735418530 1446345451 /nfs/dbraw/zinc/34/54/51/1446345451.db2.gz FAMFQVBSPYSZFZ-DTQAZKPQSA-N -1 1 389.459 3.493 20 30 GGEDMM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000820220233 1446355121 /nfs/dbraw/zinc/35/51/21/1446355121.db2.gz PDCRNUIYGSCKGP-CYBMUJFWSA-N -1 1 377.408 3.425 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(Br)c1 ZINC000737804286 1446361449 /nfs/dbraw/zinc/36/14/49/1446361449.db2.gz AMCBPBRRZQXBEJ-AATRIKPKSA-N -1 1 395.220 3.173 20 30 GGEDMM N#Cc1ccnc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000826387614 1446362894 /nfs/dbraw/zinc/36/28/94/1446362894.db2.gz GJWALXOTVCEHIP-UHFFFAOYSA-N -1 1 398.386 3.321 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000819746041 1446380857 /nfs/dbraw/zinc/38/08/57/1446380857.db2.gz YOSDRYAYLPADET-UHFFFAOYSA-N -1 1 392.419 3.166 20 30 GGEDMM C[C@H](C#N)CNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735503062 1446411598 /nfs/dbraw/zinc/41/15/98/1446411598.db2.gz IRXMPRZVFQAWSJ-LLVKDONJSA-N -1 1 382.811 3.202 20 30 GGEDMM C=CC1CCN(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)CC1 ZINC000735403126 1446411636 /nfs/dbraw/zinc/41/16/36/1446411636.db2.gz PTSOKYBGNRIMSI-UHFFFAOYSA-N -1 1 391.435 3.484 20 30 GGEDMM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)cc1 ZINC000737721011 1446415601 /nfs/dbraw/zinc/41/56/01/1446415601.db2.gz FMUHHRNZIZLKPJ-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM N#C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000737674240 1446420844 /nfs/dbraw/zinc/42/08/44/1446420844.db2.gz HEXDMMJPGYNEQZ-OAHLLOKOSA-N -1 1 387.230 3.097 20 30 GGEDMM CC1(C)CC(=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccc(F)cc2O1 ZINC000824790994 1446427627 /nfs/dbraw/zinc/42/76/27/1446427627.db2.gz VAQYPUXIQPTGRF-UHFFFAOYSA-N -1 1 387.806 3.432 20 30 GGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821110299 1446439781 /nfs/dbraw/zinc/43/97/81/1446439781.db2.gz ZLJAIMKZWGMYJV-OAHLLOKOSA-N -1 1 389.463 3.421 20 30 GGEDMM COc1ccc(-c2nnn[n-]2)cc1CSc1nc2c(cc1C#N)CCCC2 ZINC000821752158 1446447982 /nfs/dbraw/zinc/44/79/82/1446447982.db2.gz HCKBHIHATCMTKH-UHFFFAOYSA-N -1 1 378.461 3.313 20 30 GGEDMM Cc1cccc(C)c1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)S1 ZINC000822294395 1446456149 /nfs/dbraw/zinc/45/61/49/1446456149.db2.gz ZKHKMIFXSRMNHP-JYRVWZFOSA-N -1 1 382.474 3.437 20 30 GGEDMM N#CC1CCN(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000737677226 1446474735 /nfs/dbraw/zinc/47/47/35/1446474735.db2.gz AYEUPQWUHOAJFQ-UHFFFAOYSA-N -1 1 389.419 3.426 20 30 GGEDMM C=CCCC[C@@H](C)NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823894812 1446491089 /nfs/dbraw/zinc/49/10/89/1446491089.db2.gz XKNXYHCIZZGBRI-OAHLLOKOSA-N -1 1 384.484 3.164 20 30 GGEDMM CCCCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC ZINC000736463450 1446498625 /nfs/dbraw/zinc/49/86/25/1446498625.db2.gz NSWJSNPEGSIOGD-UHFFFAOYSA-N -1 1 392.419 3.178 20 30 GGEDMM Clc1cc(Br)ccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822568831 1446516042 /nfs/dbraw/zinc/51/60/42/1446516042.db2.gz YLHMMSUTYPZSOT-UHFFFAOYSA-N -1 1 391.660 3.406 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000819742867 1446540171 /nfs/dbraw/zinc/54/01/71/1446540171.db2.gz AYXMIHOSIKEUMQ-SFHVURJKSA-N -1 1 398.511 3.160 20 30 GGEDMM N#CCN(C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000826382068 1446550526 /nfs/dbraw/zinc/55/05/26/1446550526.db2.gz MZQOMPAWGIASHR-UHFFFAOYSA-N -1 1 394.822 3.441 20 30 GGEDMM C[C@@H]1CCc2c(C#N)c(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC000820727700 1446583474 /nfs/dbraw/zinc/58/34/74/1446583474.db2.gz NXBJXDARLXAVSK-LLVKDONJSA-N -1 1 378.461 3.106 20 30 GGEDMM c1[nH]c2ccc(-c3nnn[n-]3)cc2c1CN=Nc1ncnc2c3ccccc3oc21 ZINC000819718209 1446637364 /nfs/dbraw/zinc/63/73/64/1446637364.db2.gz AOTVAURZFGXCKE-UHFFFAOYSA-N -1 1 395.386 3.483 20 30 GGEDMM N#CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)CCCCC1 ZINC000826380108 1446707655 /nfs/dbraw/zinc/70/76/55/1446707655.db2.gz NNCCPYXZVYPTSR-UHFFFAOYSA-N -1 1 390.241 3.146 20 30 GGEDMM N#CCC[C@@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000826381613 1446761499 /nfs/dbraw/zinc/76/14/99/1446761499.db2.gz RWCFNLOKEVUOEN-GOSISDBHSA-N -1 1 387.447 3.200 20 30 GGEDMM Cc1nc(N(C)C)sc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826326907 1446768047 /nfs/dbraw/zinc/76/80/47/1446768047.db2.gz KETIHDHXLLKLMV-UHFFFAOYSA-N -1 1 396.402 3.162 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cc(F)ccc1F ZINC000735418207 1446789356 /nfs/dbraw/zinc/78/93/56/1446789356.db2.gz DGQNHUQSMIEWNB-UHFFFAOYSA-N -1 1 384.390 3.043 20 30 GGEDMM C#CCOc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735381780 1446789613 /nfs/dbraw/zinc/78/96/13/1446789613.db2.gz ZUFWVOAJEXFXRC-UHFFFAOYSA-N -1 1 384.852 3.341 20 30 GGEDMM CCCCCCCCc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)s1 ZINC000736449496 1446825754 /nfs/dbraw/zinc/82/57/54/1446825754.db2.gz XEOXUZZLKSQPLM-UHFFFAOYSA-N -1 1 386.485 3.269 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1nc(C)cs1 ZINC000735418495 1446834566 /nfs/dbraw/zinc/83/45/66/1446834566.db2.gz GALIYFHEWSUGPT-CYBMUJFWSA-N -1 1 383.481 3.090 20 30 GGEDMM C=CCN(CCc1ccccc1)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819742843 1446898964 /nfs/dbraw/zinc/89/89/64/1446898964.db2.gz APXWNKYGLIFICG-UHFFFAOYSA-N -1 1 387.447 3.147 20 30 GGEDMM N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822802204 1446900653 /nfs/dbraw/zinc/90/06/53/1446900653.db2.gz WVCBLCGZIIUQEN-RHSMWYFYSA-N -1 1 390.472 3.440 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)cc2cccnc21 ZINC000823914356 1446915623 /nfs/dbraw/zinc/91/56/23/1446915623.db2.gz HIVYLCSXDBDFNJ-UHFFFAOYSA-N -1 1 388.406 3.382 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)[C@@H](C#N)c1nc2cc(F)ccc2s1 ZINC000826243397 1446915703 /nfs/dbraw/zinc/91/57/03/1446915703.db2.gz HJBCRCSQXLETQB-CYBMUJFWSA-N -1 1 378.392 3.414 20 30 GGEDMM CCOCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000825605633 1446932379 /nfs/dbraw/zinc/93/23/79/1446932379.db2.gz ZHIUAUGUSSXYBG-YWEYNIOJSA-N -1 1 382.395 3.447 20 30 GGEDMM N#Cc1cccc(-c2csc(NC(=O)c3cc(-c4nn[n-]n4)cs3)n2)c1 ZINC000826386479 1446977148 /nfs/dbraw/zinc/97/71/48/1446977148.db2.gz GWDRIMIKMCDJLW-UHFFFAOYSA-N -1 1 379.430 3.176 20 30 GGEDMM CN(Cc1cccc(C#N)c1)c1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000736823612 1446995397 /nfs/dbraw/zinc/99/53/97/1446995397.db2.gz YLBZSFGPUUKKFG-UHFFFAOYSA-N -1 1 377.358 3.201 20 30 GGEDMM CCOC(=O)Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825517779 1447007340 /nfs/dbraw/zinc/00/73/40/1447007340.db2.gz MFTJMLNTKUNLFS-POHAHGRESA-N -1 1 380.379 3.008 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1cc(C)cc(C)c1 ZINC000735418474 1447012435 /nfs/dbraw/zinc/01/24/35/1447012435.db2.gz FPMZATNCPGJSMD-UHFFFAOYSA-N -1 1 390.491 3.424 20 30 GGEDMM C=CCn1c(-c2cnn(C)c2)csc1=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735443441 1447056991 /nfs/dbraw/zinc/05/69/91/1447056991.db2.gz VSISLXGZNRAZJV-UHFFFAOYSA-N -1 1 398.883 3.202 20 30 GGEDMM Cn1cc(C=CC(=O)c2cccc(C#N)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359810 1447062936 /nfs/dbraw/zinc/06/29/36/1447062936.db2.gz QUJDWELCQUJYPU-KTKRTIGZSA-N -1 1 381.399 3.035 20 30 GGEDMM C=CC1CCN(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CC1 ZINC000823888643 1447073220 /nfs/dbraw/zinc/07/32/20/1447073220.db2.gz SJSIEKDRCNXWQN-UHFFFAOYSA-N -1 1 398.858 3.136 20 30 GGEDMM COCCN(CC#Cc1ccccc1Cl)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826157567 1447073780 /nfs/dbraw/zinc/07/37/80/1447073780.db2.gz AXELFFJQYWVQSR-UHFFFAOYSA-N -1 1 381.867 3.020 20 30 GGEDMM C=CCOCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C(C)(C)C)C2 ZINC000735437669 1447076668 /nfs/dbraw/zinc/07/66/68/1447076668.db2.gz OGDOMZXFJDEQNI-LLVKDONJSA-N -1 1 375.498 3.220 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCO[C@H]1C(C)C ZINC000819743099 1447096252 /nfs/dbraw/zinc/09/62/52/1447096252.db2.gz CNJMOLQFYMTEHG-MOPGFXCFSA-N -1 1 398.511 3.016 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000819743403 1447120845 /nfs/dbraw/zinc/12/08/45/1447120845.db2.gz IJIUFVMHWVNHPU-CYBMUJFWSA-N -1 1 383.481 3.090 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=CSCc1ccco1 ZINC000819744112 1447144243 /nfs/dbraw/zinc/14/42/43/1447144243.db2.gz WVGJAOWTXZDLAF-FLIBITNWSA-N -1 1 381.461 3.421 20 30 GGEDMM COc1cc2c(c(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)c1)O[C@H](C)C2 ZINC000821713440 1447153864 /nfs/dbraw/zinc/15/38/64/1447153864.db2.gz XNLYUMWCHDHDJX-OJLMPMFISA-N -1 1 388.427 3.411 20 30 GGEDMM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1OC(F)F ZINC000826215236 1447165217 /nfs/dbraw/zinc/16/52/17/1447165217.db2.gz JVWTXERIKAMYHU-AATRIKPKSA-N -1 1 378.360 3.434 20 30 GGEDMM Cc1c(Br)cccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000822016306 1447169515 /nfs/dbraw/zinc/16/95/15/1447169515.db2.gz XBCNANQOGBWTBP-UHFFFAOYSA-N -1 1 383.209 3.062 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccccc2N2CCCCC2)n1 ZINC000826350185 1447180855 /nfs/dbraw/zinc/18/08/55/1447180855.db2.gz LGZHDNIFADHZKS-UHFFFAOYSA-N -1 1 382.859 3.351 20 30 GGEDMM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1ccc(C#N)cc1 ZINC000824612646 1447182707 /nfs/dbraw/zinc/18/27/07/1447182707.db2.gz OAUVYVXVNVEXKR-NSHDSACASA-N -1 1 383.253 3.352 20 30 GGEDMM C=C[C@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC)c1ccccc1 ZINC000823883621 1447193921 /nfs/dbraw/zinc/19/39/21/1447193921.db2.gz VPQCAHLPZVNNFL-OAHLLOKOSA-N -1 1 393.447 3.190 20 30 GGEDMM CC(C)(C#N)CCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000824059251 1447208317 /nfs/dbraw/zinc/20/83/17/1447208317.db2.gz QMQRMGFTVWTXGZ-UHFFFAOYSA-N -1 1 381.392 3.135 20 30 GGEDMM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1cccc(C#N)c1 ZINC000824613290 1447218057 /nfs/dbraw/zinc/21/80/57/1447218057.db2.gz SOGTWQDJPOCUII-NSHDSACASA-N -1 1 383.253 3.352 20 30 GGEDMM COc1cc(C#N)cc(Cl)c1OCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737035327 1447223397 /nfs/dbraw/zinc/22/33/97/1447223397.db2.gz RFXXGYZPAZTEEU-UHFFFAOYSA-N -1 1 385.811 3.248 20 30 GGEDMM N#Cc1c2c(sc1NC(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CCCC2 ZINC000822818838 1447225242 /nfs/dbraw/zinc/22/52/42/1447225242.db2.gz HMPXYJKZOZORCE-UHFFFAOYSA-N -1 1 386.387 3.209 20 30 GGEDMM N#C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000826380302 1447268413 /nfs/dbraw/zinc/26/84/13/1447268413.db2.gz UXOXGPDXFLIPCP-SFHVURJKSA-N -1 1 383.452 3.431 20 30 GGEDMM Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737463694 1447288086 /nfs/dbraw/zinc/28/80/86/1447288086.db2.gz ZSFRUYFXFUWEAO-UHFFFAOYSA-N -1 1 381.399 3.361 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccc(Cl)c3cccnc23)ccc1-c1nn[n-]n1 ZINC000737709827 1447332524 /nfs/dbraw/zinc/33/25/24/1447332524.db2.gz QVFTZJOKFFXTCC-UHFFFAOYSA-N -1 1 375.779 3.192 20 30 GGEDMM CCCCCCCCCN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821048353 1447335989 /nfs/dbraw/zinc/33/59/89/1447335989.db2.gz BHAJTSNORYBZNB-UHFFFAOYSA-N -1 1 390.463 3.153 20 30 GGEDMM Cc1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000737236879 1449008780 /nfs/dbraw/zinc/00/87/80/1449008780.db2.gz TUWPNNOBHJUYRS-UHFFFAOYSA-N -1 1 397.442 3.076 20 30 GGEDMM CC(C)(C)c1ncc(C=CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000819966060 1449064322 /nfs/dbraw/zinc/06/43/22/1449064322.db2.gz UTVIGRVUNIWEHB-SREVYHEPSA-N -1 1 379.449 3.144 20 30 GGEDMM FC(F)(F)CON=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000822718492 1449117944 /nfs/dbraw/zinc/11/79/44/1449117944.db2.gz KDIHHCXUECJRMZ-UHFFFAOYSA-N -1 1 377.326 3.359 20 30 GGEDMM C=CCSc1ccccc1NC(=O)COc1cccc(F)c1-c1nnn[n-]1 ZINC000823937036 1449121891 /nfs/dbraw/zinc/12/18/91/1449121891.db2.gz FWIIQFVNOARBHZ-UHFFFAOYSA-N -1 1 385.424 3.301 20 30 GGEDMM C=CCOCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823925867 1449122078 /nfs/dbraw/zinc/12/20/78/1449122078.db2.gz OYTDVVIOJZFBEQ-UHFFFAOYSA-N -1 1 399.838 3.245 20 30 GGEDMM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2)OCC ZINC000823873564 1449255984 /nfs/dbraw/zinc/25/59/84/1449255984.db2.gz NJRIUEBCAMNJJA-WCQYABFASA-N -1 1 375.498 3.363 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(F)(F)c1ccccc1F ZINC000823909425 1449259156 /nfs/dbraw/zinc/25/91/56/1449259156.db2.gz CZBKYGSQPKNJTD-UHFFFAOYSA-N -1 1 387.365 3.312 20 30 GGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819899571 1449317574 /nfs/dbraw/zinc/31/75/74/1449317574.db2.gz XFRYAASYRPCKRX-INIZCTEOSA-N -1 1 394.410 3.466 20 30 GGEDMM N#Cc1ccccc1-c1ccc(CNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826387497 1449343208 /nfs/dbraw/zinc/34/32/08/1449343208.db2.gz YFQPBADLXOIWIY-UHFFFAOYSA-N -1 1 380.411 3.335 20 30 GGEDMM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCCCOc1cccc(C#N)c1 ZINC000821699568 1449345122 /nfs/dbraw/zinc/34/51/22/1449345122.db2.gz VFPSBSQRWSAVEV-UHFFFAOYSA-N -1 1 385.811 3.248 20 30 GGEDMM Fc1cc(-c2nnn[n-]2)ccc1CN=Nc1nc(-c2ccc(Cl)cc2)no1 ZINC000822740673 1449348419 /nfs/dbraw/zinc/34/84/19/1449348419.db2.gz MGNHDLCQISHCPI-UHFFFAOYSA-N -1 1 384.762 3.155 20 30 GGEDMM N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822826018 1449353304 /nfs/dbraw/zinc/35/33/04/1449353304.db2.gz RKMIBFAMRIUKKY-UHFFFAOYSA-N -1 1 388.218 3.096 20 30 GGEDMM C#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000735389479 1449383416 /nfs/dbraw/zinc/38/34/16/1449383416.db2.gz BTSJRSYNWMXEFY-UHFFFAOYSA-N -1 1 382.383 3.288 20 30 GGEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823909442 1449391220 /nfs/dbraw/zinc/39/12/20/1449391220.db2.gz DOIGYINTLHMCRX-UHFFFAOYSA-N -1 1 383.839 3.357 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CCOc2ccccc21 ZINC000735420139 1449392351 /nfs/dbraw/zinc/39/23/51/1449392351.db2.gz MQXLVPNFZOOGAN-KRWDZBQOSA-N -1 1 389.459 3.338 20 30 GGEDMM N#Cc1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cc1-c1nnn[n-]1 ZINC000737718990 1449393684 /nfs/dbraw/zinc/39/36/84/1449393684.db2.gz QYZSCORJKOVWBU-UHFFFAOYSA-N -1 1 398.348 3.427 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000823909883 1449395703 /nfs/dbraw/zinc/39/57/03/1449395703.db2.gz SMJLOQQZIAAVCM-OALUTQOASA-N -1 1 398.511 3.158 20 30 GGEDMM Cc1cc(C)c2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)sc2n1 ZINC000737249254 1449420180 /nfs/dbraw/zinc/42/01/80/1449420180.db2.gz UXAJJZZLBLDFPJ-UHFFFAOYSA-N -1 1 375.417 3.217 20 30 GGEDMM C=C(C)[C@@H](CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)OCC ZINC000823874391 1449440266 /nfs/dbraw/zinc/44/02/66/1449440266.db2.gz WABJAAFBMFXNHX-QGZVFWFLSA-N -1 1 394.435 3.364 20 30 GGEDMM Cc1cncc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000822399455 1449494203 /nfs/dbraw/zinc/49/42/03/1449494203.db2.gz ILTUXTQXSNVLBP-OAHLLOKOSA-N -1 1 387.428 3.184 20 30 GGEDMM COc1ccc(C=CC(=O)c2nc(-c3ccccc3)[nH]c2C)cc1-c1nnn[n-]1 ZINC000737081595 1449630662 /nfs/dbraw/zinc/63/06/62/1449630662.db2.gz PHBFWTVRGSCHNK-CSKARUKUSA-N -1 1 386.415 3.470 20 30 GGEDMM COc1ccc(C=CC(=O)c2[nH]c(-c3ccccc3)nc2C)cc1-c1nn[n-]n1 ZINC000737081595 1449630667 /nfs/dbraw/zinc/63/06/67/1449630667.db2.gz PHBFWTVRGSCHNK-CSKARUKUSA-N -1 1 386.415 3.470 20 30 GGEDMM COc1ccc(C=CC(=O)c2[nH]c(-c3ccccc3)nc2C)cc1-c1nnn[n-]1 ZINC000737081595 1449630674 /nfs/dbraw/zinc/63/06/74/1449630674.db2.gz PHBFWTVRGSCHNK-CSKARUKUSA-N -1 1 386.415 3.470 20 30 GGEDMM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000822801080 1449642831 /nfs/dbraw/zinc/64/28/31/1449642831.db2.gz DONQOGUQFWSQLB-CJNGLKHVSA-N -1 1 392.394 3.220 20 30 GGEDMM CC(N=Nc1nc(-c2ccc(Cl)cc2)no1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451038 1449669970 /nfs/dbraw/zinc/66/99/70/1449669970.db2.gz NDDDLEARFWSQFL-UHFFFAOYSA-N -1 1 380.799 3.406 20 30 GGEDMM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(-c4nnn[n-]4)cc3F)S2)c1 ZINC000822324014 1449674149 /nfs/dbraw/zinc/67/41/49/1449674149.db2.gz SDADCQWODZUDSV-OQLLNIDSSA-N -1 1 380.408 3.206 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000737713601 1449707969 /nfs/dbraw/zinc/70/79/69/1449707969.db2.gz ZNLFJLWAGMXQST-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM C#CCSCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000735387838 1449724375 /nfs/dbraw/zinc/72/43/75/1449724375.db2.gz HPBFAUWZTOLGOW-UHFFFAOYSA-N -1 1 395.513 3.114 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000826252441 1449724352 /nfs/dbraw/zinc/72/43/52/1449724352.db2.gz CXBCMKCJAAAHCN-LJQANCHMSA-N -1 1 391.431 3.194 20 30 GGEDMM C#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000735389691 1449750410 /nfs/dbraw/zinc/75/04/10/1449750410.db2.gz GOEOTMIOJSTZLK-UHFFFAOYSA-N -1 1 396.410 3.074 20 30 GGEDMM C[C@H]1CCc2c(sc(NC(=O)c3ccc(CC#N)cc3)c2-c2nn[n-]n2)C1 ZINC000824969009 1449770890 /nfs/dbraw/zinc/77/08/90/1449770890.db2.gz SAVJTOPIRKJFHO-NSHDSACASA-N -1 1 378.461 3.371 20 30 GGEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820005605 1449815710 /nfs/dbraw/zinc/81/57/10/1449815710.db2.gz TYZQNDSAASQMNP-UHFFFAOYSA-N -1 1 382.811 3.188 20 30 GGEDMM C=CCCO[C@@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000823899240 1449890356 /nfs/dbraw/zinc/89/03/56/1449890356.db2.gz RMKYTSBKLLFIJC-HNNXBMFYSA-N -1 1 380.452 3.194 20 30 GGEDMM CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823954109 1449895892 /nfs/dbraw/zinc/89/58/92/1449895892.db2.gz ZTMZKZXTXXOVJL-UHFFFAOYSA-N -1 1 377.886 3.292 20 30 GGEDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000737291433 1449899644 /nfs/dbraw/zinc/89/96/44/1449899644.db2.gz LEOISUBTMUDOHK-UHFFFAOYSA-N -1 1 376.420 3.235 20 30 GGEDMM N#Cc1ccc(OC2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)cc1 ZINC000822833827 1449907001 /nfs/dbraw/zinc/90/70/01/1449907001.db2.gz WRDAZAHIPMSAJX-UHFFFAOYSA-N -1 1 380.839 3.440 20 30 GGEDMM N#Cc1ccc(C2=CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)cc1 ZINC000826384795 1449910751 /nfs/dbraw/zinc/91/07/51/1449910751.db2.gz KCPKEMIYPIEAFA-UHFFFAOYSA-N -1 1 397.364 3.446 20 30 GGEDMM N#Cc1cc(Br)ccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000822819664 1449918409 /nfs/dbraw/zinc/91/84/09/1449918409.db2.gz YORUPEZSBUBAFV-UHFFFAOYSA-N -1 1 377.589 3.342 20 30 GGEDMM COc1ccccc1N=C1SCCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826220393 1449925337 /nfs/dbraw/zinc/92/53/37/1449925337.db2.gz MOCYUILODVFFPT-UHFFFAOYSA-N -1 1 394.460 3.060 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC)cc1Cl ZINC000735420173 1449955899 /nfs/dbraw/zinc/95/58/99/1449955899.db2.gz MWVQDDFIXKRAJU-UHFFFAOYSA-N -1 1 383.839 3.357 20 30 GGEDMM N#Cc1ccc(NC(=O)CCc2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000737716700 1449968808 /nfs/dbraw/zinc/96/88/08/1449968808.db2.gz UINQQYGVPVAHIH-UHFFFAOYSA-N -1 1 397.236 3.072 20 30 GGEDMM FC(F)Oc1ccccc1C=NOCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000737638670 1449974581 /nfs/dbraw/zinc/97/45/81/1449974581.db2.gz JMAFXWZMWOWLRH-UHFFFAOYSA-N -1 1 389.362 3.288 20 30 GGEDMM CCOc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821430993 1449986771 /nfs/dbraw/zinc/98/67/71/1449986771.db2.gz JPLOQJJVTJVYGQ-UHFFFAOYSA-N -1 1 389.362 3.418 20 30 GGEDMM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824207120 1449996062 /nfs/dbraw/zinc/99/60/62/1449996062.db2.gz QAOULPSMNQVZBW-KRWDZBQOSA-N -1 1 396.838 3.434 20 30 GGEDMM C#CCOc1cccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735387941 1450009477 /nfs/dbraw/zinc/00/94/77/1450009477.db2.gz LRZJXDSIDRIKQF-UHFFFAOYSA-N -1 1 392.415 3.033 20 30 GGEDMM CCN(C(=O)CSCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825376045 1450023333 /nfs/dbraw/zinc/02/33/33/1450023333.db2.gz BROLVCGNTMRXGX-UHFFFAOYSA-N -1 1 378.461 3.025 20 30 GGEDMM C=CCN(Cc1noc(Cc2ccccc2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426620 1450042330 /nfs/dbraw/zinc/04/23/30/1450042330.db2.gz SYMMDOQHRPHYDJ-UHFFFAOYSA-N -1 1 387.447 3.029 20 30 GGEDMM C=CCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc(OC)c1O ZINC000823936949 1450061282 /nfs/dbraw/zinc/06/12/82/1450061282.db2.gz ARYRJFUXGMOOKC-VMPITWQZSA-N -1 1 380.379 3.345 20 30 GGEDMM C[C@H](CC#N)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820219875 1450157780 /nfs/dbraw/zinc/15/77/80/1450157780.db2.gz KRQBKTNZUCBEHE-CYBMUJFWSA-N -1 1 377.408 3.425 20 30 GGEDMM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(Br)cc1 ZINC000824045642 1450189473 /nfs/dbraw/zinc/18/94/73/1450189473.db2.gz NVHGGHJEFVGVNX-JTQLQIEISA-N -1 1 397.236 3.243 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccccc2CCC(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826384527 1450282986 /nfs/dbraw/zinc/28/29/86/1450282986.db2.gz YVHIGDXKUJWNBM-UHFFFAOYSA-N -1 1 386.337 3.486 20 30 GGEDMM CCN(C)c1ccc(C(C)N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)cc1 ZINC000821164284 1450301960 /nfs/dbraw/zinc/30/19/60/1450301960.db2.gz AGCDQOXVAKSHOX-UHFFFAOYSA-N -1 1 382.472 3.345 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)ccc1-c1nn[n-]n1 ZINC000737709950 1450379001 /nfs/dbraw/zinc/37/90/01/1450379001.db2.gz SDKVOEDCYWFJEO-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC2CCCOc3cc(F)ccc32)o1 ZINC000824280406 1450396259 /nfs/dbraw/zinc/39/62/59/1450396259.db2.gz MDTDGWNIJCBBKK-UHFFFAOYSA-N -1 1 385.403 3.181 20 30 GGEDMM Cc1cccc2c1CC(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2=O ZINC000826305069 1450396629 /nfs/dbraw/zinc/39/66/29/1450396629.db2.gz JKRJXIZZSUIUJB-YBEGLDIGSA-N -1 1 382.427 3.398 20 30 GGEDMM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821693497 1450415209 /nfs/dbraw/zinc/41/52/09/1450415209.db2.gz BASCUEBZHXNZFI-FPLPWBNLSA-N -1 1 386.358 3.066 20 30 GGEDMM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000824449736 1450418885 /nfs/dbraw/zinc/41/88/85/1450418885.db2.gz OZSFXAYTYSQQLU-CQSZACIVSA-N -1 1 389.415 3.046 20 30 GGEDMM CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361028 1450422576 /nfs/dbraw/zinc/42/25/76/1450422576.db2.gz ADIAEVNAILVKPN-GFCCVEGCSA-N -1 1 396.838 3.212 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000736308178 1450433837 /nfs/dbraw/zinc/43/38/37/1450433837.db2.gz ACGOIOVQEVPZTJ-AWEZNQCLSA-N -1 1 386.419 3.103 20 30 GGEDMM Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826256952 1450434332 /nfs/dbraw/zinc/43/43/32/1450434332.db2.gz HUYPJDLRRFNXPZ-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821417825 1450484464 /nfs/dbraw/zinc/48/44/64/1450484464.db2.gz SZUYEPOCOUWTLG-GFCCVEGCSA-N -1 1 377.408 3.020 20 30 GGEDMM N#C[C@H](C(=O)C=Cc1cccnc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379488 1450498482 /nfs/dbraw/zinc/49/84/82/1450498482.db2.gz STRTUIVEPNBGAC-HQOGMNCSSA-N -1 1 399.439 3.275 20 30 GGEDMM C=CC1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001573315378 947252021 /nfs/dbraw/zinc/25/20/21/947252021.db2.gz MCKFALWHIYBCFE-ZDUSSCGKSA-N -1 1 382.472 3.015 20 30 GGEDMM C=CC1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573315378 947252028 /nfs/dbraw/zinc/25/20/28/947252028.db2.gz MCKFALWHIYBCFE-ZDUSSCGKSA-N -1 1 382.472 3.015 20 30 GGEDMM C=CCC[C@@H]1CCCN1CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001602719178 971383043 /nfs/dbraw/zinc/38/30/43/971383043.db2.gz UUSUGZWBXRIMKI-CYBMUJFWSA-N -1 1 394.493 3.301 20 30 GGEDMM Cc1cc(CN=Nc2oc(CC(C)C)nc2-c2nn[n-]n2)cc2cccnc12 ZINC000826266603 947770071 /nfs/dbraw/zinc/77/00/71/947770071.db2.gz VFOVDGQSPYCKRR-UHFFFAOYSA-N -1 1 376.424 3.356 20 30 GGEDMM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001602781107 971521886 /nfs/dbraw/zinc/52/18/86/971521886.db2.gz RLWXVFZXTOCJIS-OAQYLSRUSA-N -1 1 383.492 3.038 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](Cc1ccccc1)C(=O)[O-] ZINC001602785999 971530127 /nfs/dbraw/zinc/53/01/27/971530127.db2.gz AFHDAHSZQWTYRM-MAUKXSAKSA-N -1 1 397.500 3.162 20 30 GGEDMM CC(C)(C)c1ccc(C(C)(C)CNc2cnc(-c3nnn[n-]3)c(C#N)n2)cc1 ZINC001573882092 950769981 /nfs/dbraw/zinc/76/99/81/950769981.db2.gz RPMAWGSSSZPSCQ-UHFFFAOYSA-N -1 1 376.468 3.216 20 30 GGEDMM CC(C)(C)c1ccc(C(C)(C)CNc2cnc(-c3nn[n-]n3)c(C#N)n2)cc1 ZINC001573882092 950769986 /nfs/dbraw/zinc/76/99/86/950769986.db2.gz RPMAWGSSSZPSCQ-UHFFFAOYSA-N -1 1 376.468 3.216 20 30 GGEDMM C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588544997 958990461 /nfs/dbraw/zinc/99/04/61/958990461.db2.gz GDRKAGZUFWSUDH-CVEARBPZSA-N -1 1 375.444 3.038 20 30 GGEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1C#N ZINC001594252539 959622368 /nfs/dbraw/zinc/62/23/68/959622368.db2.gz AMMLNJGRKCAODF-BBRMVZONSA-N -1 1 386.496 3.073 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001588989317 962796256 /nfs/dbraw/zinc/79/62/56/962796256.db2.gz DLYYUIFDRALWOU-YJBOKZPZSA-N -1 1 397.500 3.305 20 30 GGEDMM C#CCCN(CCOC)Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001588446959 964082360 /nfs/dbraw/zinc/08/23/60/964082360.db2.gz AKQROAZAFJUTCT-UHFFFAOYSA-N -1 1 396.274 3.349 20 30 GGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000756905850 978702258 /nfs/dbraw/zinc/70/22/58/978702258.db2.gz MXAHBMKKKAANON-UHFFFAOYSA-N -1 1 384.388 3.163 20 30 GGEDMM O=C([O-])c1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccncc2)nc1 ZINC000763372130 978722668 /nfs/dbraw/zinc/72/26/68/978722668.db2.gz ULQMSVNZBVGGJD-UHFFFAOYSA-N -1 1 384.399 3.474 20 30 GGEDMM CC(N=Nc1ccccc1S(=O)(=O)NC(C)(C)C)c1cc(C(=O)[O-])cs1 ZINC000814812880 978887481 /nfs/dbraw/zinc/88/74/81/978887481.db2.gz BRVZBPJTZMEZEB-UHFFFAOYSA-N -1 1 395.506 3.359 20 30 GGEDMM C#CCOc1cccc(Cl)c1CN1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905750316 981137863 /nfs/dbraw/zinc/13/78/63/981137863.db2.gz PTVBRYRSERDQJM-LBPRGKRZSA-N -1 1 376.865 3.496 20 30 GGEDMM C#CCN(Cc1ccc(C(=O)[O-])cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001588469968 983503936 /nfs/dbraw/zinc/50/39/36/983503936.db2.gz WZRXMAFJIYOMLL-UHFFFAOYSA-N -1 1 390.455 3.359 20 30 GGEDMM C=C(CCC(=O)[O-])C(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 ZINC001588629351 983737021 /nfs/dbraw/zinc/73/70/21/983737021.db2.gz IEEQDLPWHBVRCQ-UHFFFAOYSA-N -1 1 379.888 3.232 20 30 GGEDMM CCN1CC[C@@H]1CNC(=O)Nc1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC001596415236 984019690 /nfs/dbraw/zinc/01/96/90/984019690.db2.gz HZEHSQBPLOVSOC-HXUWFJFHSA-N -1 1 377.444 3.000 20 30 GGEDMM C=CC[C@@H]1N(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CCCC1(C)C ZINC001588773945 984149981 /nfs/dbraw/zinc/14/99/81/984149981.db2.gz NRMHKXROPCVTEF-KRWDZBQOSA-N -1 1 388.464 3.177 20 30 GGEDMM C=CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-] ZINC001588817413 984276027 /nfs/dbraw/zinc/27/60/27/984276027.db2.gz KFTQBPVOPSINHH-UHFFFAOYSA-N -1 1 395.458 3.152 20 30 GGEDMM C=CCOC[C@H](NCc1c(C)nn(-c2cc(C)ccc2C)c1Cl)C(=O)[O-] ZINC001588866409 984425089 /nfs/dbraw/zinc/42/50/89/984425089.db2.gz OZSYJAPHCXZRAW-INIZCTEOSA-N -1 1 377.872 3.196 20 30 GGEDMM C=CCOC[C@H](NCc1c(C)nn(-c2ccc(Cl)cc2)c1Cl)C(=O)[O-] ZINC001588866909 984428880 /nfs/dbraw/zinc/42/88/80/984428880.db2.gz VQSDYQYACNJZDV-HNNXBMFYSA-N -1 1 384.263 3.233 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3OC)[nH]n2)c1C ZINC001588912343 984550879 /nfs/dbraw/zinc/55/08/79/984550879.db2.gz GVASCTLRGIACNP-UHFFFAOYSA-N -1 1 395.419 3.035 20 30 GGEDMM CC(=O)[C@](C#N)(CCN1CC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020865 985009245 /nfs/dbraw/zinc/00/92/45/985009245.db2.gz GJVQOGNDTPKBTF-MGPUTAFESA-N -1 1 383.473 3.071 20 30 GGEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001597056130 986540533 /nfs/dbraw/zinc/54/05/33/986540533.db2.gz SSXREFXOXIKZGJ-UHFFFAOYSA-N -1 1 380.809 3.109 20 30 GGEDMM CC(C)(NCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1cccc(C#N)c1 ZINC001590866966 990763877 /nfs/dbraw/zinc/76/38/77/990763877.db2.gz XZARIVNFHWGWSY-UHFFFAOYSA-N -1 1 383.473 3.270 20 30 GGEDMM CN(Cc1cnc2ccc(C#N)cn12)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598532779 992804533 /nfs/dbraw/zinc/80/45/33/992804533.db2.gz GXVWHZLBWQYDAV-KRWDZBQOSA-N -1 1 399.248 3.226 20 30 GGEDMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001593188879 994105938 /nfs/dbraw/zinc/10/59/38/994105938.db2.gz BWIYZSHBEZICKS-LHSJRXKWSA-N -1 1 397.450 3.135 20 30 GGEDMM C[C@@H](NCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1ccc(C#N)cc1 ZINC001593240400 994429669 /nfs/dbraw/zinc/42/96/69/994429669.db2.gz OHZAKPIPDSNDDF-GFCCVEGCSA-N -1 1 383.473 3.486 20 30 GGEDMM COc1cccc(COc2ccc(CN3CCC(C#N)(C(=O)[O-])CC3)cc2)c1 ZINC001599675873 994896041 /nfs/dbraw/zinc/89/60/41/994896041.db2.gz AVXIWVOUTGQEJO-UHFFFAOYSA-N -1 1 380.444 3.465 20 30 GGEDMM COC[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC001599174710 996820286 /nfs/dbraw/zinc/82/02/86/996820286.db2.gz XXUVPDUBUVICED-IRXDYDNUSA-N -1 1 389.249 3.424 20 30 GGEDMM COc1cc(C#N)ccc1CN[C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001599347783 998038917 /nfs/dbraw/zinc/03/89/17/998038917.db2.gz LLZCOFAPDWALHK-GOSISDBHSA-N -1 1 389.249 3.419 20 30 GGEDMM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(Cc1ccc(C)c(C#N)c1)CC2 ZINC001599465504 998353123 /nfs/dbraw/zinc/35/31/23/998353123.db2.gz KIRUNSIQSUFGOZ-LJQANCHMSA-N -1 1 380.444 3.458 20 30 GGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000078899984 205377247 /nfs/dbraw/zinc/37/72/47/205377247.db2.gz HKLFIVMZICHYDY-UHFFFAOYSA-N -1 1 375.450 3.198 20 30 GGEDMM CCOc1cc(/C=C2\Oc3cc([O-])ccc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000014201568 520630685 /nfs/dbraw/zinc/63/06/85/520630685.db2.gz LVQVTLLSYCSERL-GHOUAXAESA-N -1 1 397.427 3.263 20 30 GGEDMM O=C([N-]O[C@H]1CCCCO1)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000058419254 527103848 /nfs/dbraw/zinc/10/38/48/527103848.db2.gz JSEYYBGFGWITSL-KGLIPLIRSA-N -1 1 383.242 3.217 20 30 GGEDMM CC(C)(C)[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000116160047 564204393 /nfs/dbraw/zinc/20/43/93/564204393.db2.gz JVNFJWWQSSRUKI-DEOSSOPVSA-N -1 1 376.503 3.406 20 30 GGEDMM CC(C)(C)[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000116160045 564204757 /nfs/dbraw/zinc/20/47/57/564204757.db2.gz JVNFJWWQSSRUKI-XMMPIXPASA-N -1 1 376.503 3.406 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)CC3CCOCC3)nc2C)n[n-]c1=S ZINC000117256157 564224417 /nfs/dbraw/zinc/22/44/17/564224417.db2.gz VXSFENRKNUMSHS-UHFFFAOYSA-N -1 1 379.511 3.314 20 30 GGEDMM C=C(C)C[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000119188150 564259108 /nfs/dbraw/zinc/25/91/08/564259108.db2.gz HQXGHDGXSVFOJJ-UHFFFAOYSA-N -1 1 387.068 3.205 20 30 GGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl ZINC000025766665 564341856 /nfs/dbraw/zinc/34/18/56/564341856.db2.gz TUBXNTIXVVBXNL-UHFFFAOYSA-N -1 1 375.837 3.139 20 30 GGEDMM CCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121384926 564366761 /nfs/dbraw/zinc/36/67/61/564366761.db2.gz YFMPSLWGFWVULA-UHFFFAOYSA-N -1 1 377.853 3.152 20 30 GGEDMM Cc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000121464282 564371018 /nfs/dbraw/zinc/37/10/18/564371018.db2.gz JDYVMTJJFCYHNK-UHFFFAOYSA-N -1 1 377.853 3.023 20 30 GGEDMM CN(Cc1ccc(C#N)cc1)C(=O)c1cc(I)ccc1[O-] ZINC000032615593 564403740 /nfs/dbraw/zinc/40/37/40/564403740.db2.gz KYAZEGWLENDCRH-UHFFFAOYSA-N -1 1 392.196 3.141 20 30 GGEDMM C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000032946248 564408461 /nfs/dbraw/zinc/40/84/61/564408461.db2.gz RBWCNFSBXKIZRC-UHFFFAOYSA-N -1 1 382.507 3.246 20 30 GGEDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]C(=O)c1cccc2cn[nH]c21 ZINC000048487672 564541345 /nfs/dbraw/zinc/54/13/45/564541345.db2.gz DFOIYZXAISXHIS-UHFFFAOYSA-N -1 1 394.250 3.327 20 30 GGEDMM CC(=O)N[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccc(Cl)cc1 ZINC000051265886 564563075 /nfs/dbraw/zinc/56/30/75/564563075.db2.gz HSLYSORMWLHYBW-SNVBAGLBSA-N -1 1 375.738 3.332 20 30 GGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000055664072 564628264 /nfs/dbraw/zinc/62/82/64/564628264.db2.gz ZOCXUPBQVLNUNM-UHFFFAOYSA-N -1 1 380.853 3.065 20 30 GGEDMM N#CCSCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000056062008 564638600 /nfs/dbraw/zinc/63/86/00/564638600.db2.gz FJXJCMFHIGXGDS-UHFFFAOYSA-N -1 1 395.893 3.336 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c(Br)c1 ZINC000130306260 564676570 /nfs/dbraw/zinc/67/65/70/564676570.db2.gz KLLVYAJTLVLZQP-UHFFFAOYSA-N -1 1 396.222 3.338 20 30 GGEDMM CN(CCC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000060657605 564701142 /nfs/dbraw/zinc/70/11/42/564701142.db2.gz FHSCVHKIAWMRJO-UHFFFAOYSA-N -1 1 377.853 3.126 20 30 GGEDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(C2CC2)no1 ZINC000069128401 564833696 /nfs/dbraw/zinc/83/36/96/564833696.db2.gz CLOGOUKUSWXOPI-AWEZNQCLSA-N -1 1 380.857 3.148 20 30 GGEDMM COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)cc1[O-] ZINC000093931805 564894785 /nfs/dbraw/zinc/89/47/85/564894785.db2.gz WZPHFDFKJPSABB-UHFFFAOYSA-N -1 1 389.249 3.315 20 30 GGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1C(=O)N(C)C ZINC000150872541 564894874 /nfs/dbraw/zinc/89/48/74/564894874.db2.gz RJKRPWKDOTZLHH-UHFFFAOYSA-N -1 1 377.853 3.023 20 30 GGEDMM CN(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2o1 ZINC000150963282 564899328 /nfs/dbraw/zinc/89/93/28/564899328.db2.gz ZTROZQVROHOYSU-UHFFFAOYSA-N -1 1 376.825 3.220 20 30 GGEDMM CC[C@@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000102351781 564928532 /nfs/dbraw/zinc/92/85/32/564928532.db2.gz RSTCONINSDTUIQ-AWEZNQCLSA-N -1 1 377.853 3.173 20 30 GGEDMM CC1(C)c2cc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)ccc2NC1=O ZINC000152768364 564970662 /nfs/dbraw/zinc/97/06/62/564970662.db2.gz NNGZQBDPSXHTLH-UHFFFAOYSA-N -1 1 375.837 3.242 20 30 GGEDMM CC1CCN(S(=O)(=O)c2ccc(C(=O)[N-]c3sccc3C#N)s2)CC1 ZINC000106594452 564985505 /nfs/dbraw/zinc/98/55/05/564985505.db2.gz KNYFFNNVFOMVOJ-UHFFFAOYSA-N -1 1 395.531 3.354 20 30 GGEDMM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccco1 ZINC000183623830 565083798 /nfs/dbraw/zinc/08/37/98/565083798.db2.gz IQWJYTKFCZOESU-OAHLLOKOSA-N -1 1 382.869 3.497 20 30 GGEDMM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000157716145 565140942 /nfs/dbraw/zinc/14/09/42/565140942.db2.gz GGMCPULRRUUNBQ-AWEZNQCLSA-N -1 1 376.306 3.418 20 30 GGEDMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000185580334 565209797 /nfs/dbraw/zinc/20/97/97/565209797.db2.gz KCCADGVFHLTUGP-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM CCCCc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)[nH]n1 ZINC000159939456 565224812 /nfs/dbraw/zinc/22/48/12/565224812.db2.gz DBTFDWHKYHAVBV-UHFFFAOYSA-N -1 1 383.271 3.187 20 30 GGEDMM Cc1nc(C2([N-]S(=O)(=O)c3cc(C#N)ccc3Cl)CCCCC2)no1 ZINC000274635149 565375689 /nfs/dbraw/zinc/37/56/89/565375689.db2.gz PCWXXQLYHCZHSV-UHFFFAOYSA-N -1 1 380.857 3.041 20 30 GGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1Br ZINC000188262022 565392143 /nfs/dbraw/zinc/39/21/43/565392143.db2.gz HDZRXWQHKJYJLL-UHFFFAOYSA-N -1 1 394.250 3.080 20 30 GGEDMM C[C@@H](C#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000171844680 565454038 /nfs/dbraw/zinc/45/40/38/565454038.db2.gz KQWTWZVIWYRDSR-LBPRGKRZSA-N -1 1 377.853 3.030 20 30 GGEDMM C[C@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000171844667 565454059 /nfs/dbraw/zinc/45/40/59/565454059.db2.gz FLACDLGYXJBPKT-GFCCVEGCSA-N -1 1 377.853 3.030 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)c3oc(C)nc3C)nc2C)n[n-]c1=S ZINC000172797119 565503610 /nfs/dbraw/zinc/50/36/10/565503610.db2.gz SQIPUJVIEOJTDO-UHFFFAOYSA-N -1 1 376.467 3.416 20 30 GGEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000190417065 565530959 /nfs/dbraw/zinc/53/09/59/565530959.db2.gz AEESDSHGKQJVIO-DLBZAZTESA-N -1 1 377.227 3.301 20 30 GGEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000190417104 565530985 /nfs/dbraw/zinc/53/09/85/565530985.db2.gz AEESDSHGKQJVIO-IAGOWNOFSA-N -1 1 377.227 3.301 20 30 GGEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000190417120 565531242 /nfs/dbraw/zinc/53/12/42/565531242.db2.gz AEESDSHGKQJVIO-SJORKVTESA-N -1 1 377.227 3.301 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)cc1Br ZINC000307957764 565578471 /nfs/dbraw/zinc/57/84/71/565578471.db2.gz HIZUQVJFBOPSPZ-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM CC(C)CCN(CCC#N)C(=O)c1cc(I)ccc1[O-] ZINC000191251541 565591392 /nfs/dbraw/zinc/59/13/92/565591392.db2.gz IODLGOBIZCVTRH-UHFFFAOYSA-N -1 1 386.233 3.399 20 30 GGEDMM COc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000319737917 565599872 /nfs/dbraw/zinc/59/98/72/565599872.db2.gz NZHQNZXLNRJYOP-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM Cc1cc(Br)c(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C#N ZINC000323599879 565614144 /nfs/dbraw/zinc/61/41/44/565614144.db2.gz HJGNJJSRZBVZGK-UHFFFAOYSA-N -1 1 395.234 3.128 20 30 GGEDMM O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(Br)c([O-])c1 ZINC000328962619 565647983 /nfs/dbraw/zinc/64/79/83/565647983.db2.gz QXVRWKZSWAMGEP-GFCCVEGCSA-N -1 1 381.270 3.393 20 30 GGEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000192128590 565661342 /nfs/dbraw/zinc/66/13/42/565661342.db2.gz HWRNQCDUOUNJAT-LBPRGKRZSA-N -1 1 398.893 3.135 20 30 GGEDMM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000331332313 565755339 /nfs/dbraw/zinc/75/53/39/565755339.db2.gz IHGFPLLGFLSYES-UHFFFAOYSA-N -1 1 395.296 3.234 20 30 GGEDMM CCc1[n-][nH]c(=NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1Br ZINC000412152817 565773785 /nfs/dbraw/zinc/77/37/85/565773785.db2.gz FUZWLWDNVFKUML-UHFFFAOYSA-N -1 1 375.270 3.236 20 30 GGEDMM COc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)ccc1Br ZINC000179026144 565952904 /nfs/dbraw/zinc/95/29/04/565952904.db2.gz SLNMBGBHTFIJEY-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM CC(C)(C)CN(CCC#N)C(=O)c1cc(I)ccc1[O-] ZINC000179483295 565983205 /nfs/dbraw/zinc/98/32/05/565983205.db2.gz CILKFKNBAORTDE-UHFFFAOYSA-N -1 1 386.233 3.399 20 30 GGEDMM C=CCOc1c(Br)cc(CN2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000263434532 566185908 /nfs/dbraw/zinc/18/59/08/566185908.db2.gz TZUHSWKLJNVMQG-ZDUSSCGKSA-N -1 1 384.270 3.319 20 30 GGEDMM C=CCOc1c(Br)cc(CN2CC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000263524440 566188295 /nfs/dbraw/zinc/18/82/95/566188295.db2.gz SPUFYUFLDAATNK-KRWDZBQOSA-N -1 1 384.270 3.319 20 30 GGEDMM N#Cc1cccc([C@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCO2)c1 ZINC000367168769 566188248 /nfs/dbraw/zinc/18/82/48/566188248.db2.gz WNEOAJDNSLMDEY-QGZVFWFLSA-N -1 1 387.233 3.240 20 30 GGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000509395914 566297640 /nfs/dbraw/zinc/29/76/40/566297640.db2.gz GHWYJHDNVBDJNC-UHFFFAOYSA-N -1 1 376.235 3.188 20 30 GGEDMM COC(=O)CCSc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000535894617 566335767 /nfs/dbraw/zinc/33/57/67/566335767.db2.gz CGACOUCJEIHCOK-UHFFFAOYSA-N -1 1 376.459 3.014 20 30 GGEDMM CC#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000558048117 566445961 /nfs/dbraw/zinc/44/59/61/566445961.db2.gz SWSZTRNAEXUYKO-UHFFFAOYSA-N -1 1 376.865 3.236 20 30 GGEDMM N#C[C@@H]1N(C(=O)c2ccc(Br)c([O-])c2)CCC[C@]12CCCCO2 ZINC000577674904 566454401 /nfs/dbraw/zinc/45/44/01/566454401.db2.gz UOBVQLPJUFUVJO-DOTOQJQBSA-N -1 1 379.254 3.222 20 30 GGEDMM N#C[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000537794907 566472148 /nfs/dbraw/zinc/47/21/48/566472148.db2.gz CSDAORKTYJERIE-ZDUSSCGKSA-N -1 1 375.759 3.297 20 30 GGEDMM N#C[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000537794903 566472260 /nfs/dbraw/zinc/47/22/60/566472260.db2.gz CSDAORKTYJERIE-CYBMUJFWSA-N -1 1 375.759 3.297 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(Cl)c1 ZINC000486525859 566596220 /nfs/dbraw/zinc/59/62/20/566596220.db2.gz GSIQRBZPGXXJNI-UHFFFAOYSA-N -1 1 379.800 3.036 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](OCC2CC2)c2ccc(Cl)cc2)o1 ZINC000561545522 566718227 /nfs/dbraw/zinc/71/82/27/566718227.db2.gz APIJCHXCVBIMQN-MRXNPFEDSA-N -1 1 380.853 3.251 20 30 GGEDMM CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)s1 ZINC000451316905 566794898 /nfs/dbraw/zinc/79/48/98/566794898.db2.gz KKHSCHDMYWSIQD-UHFFFAOYSA-N -1 1 384.914 3.034 20 30 GGEDMM N#Cc1cccnc1OC1CCC([N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC000562546040 566799617 /nfs/dbraw/zinc/79/96/17/566799617.db2.gz PIDSWPMNFGBBAA-UHFFFAOYSA-N -1 1 397.909 3.337 20 30 GGEDMM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000610123779 566807667 /nfs/dbraw/zinc/80/76/67/566807667.db2.gz BNIAPGVJKNRNNP-UHFFFAOYSA-N -1 1 380.809 3.028 20 30 GGEDMM CSCCCCC[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451413191 566814548 /nfs/dbraw/zinc/81/45/48/566814548.db2.gz YIPZQBKFJCWCBE-UHFFFAOYSA-N -1 1 395.319 3.271 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000517433897 566826775 /nfs/dbraw/zinc/82/67/75/566826775.db2.gz IQFULXCMWBMDBZ-JTQLQIEISA-N -1 1 382.488 3.499 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2)o1 ZINC000563907101 566928225 /nfs/dbraw/zinc/92/82/25/566928225.db2.gz XDTQOHDLXAPOPQ-SNVBAGLBSA-N -1 1 386.260 3.015 20 30 GGEDMM CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(I)c([O-])c1 ZINC000544825369 566999515 /nfs/dbraw/zinc/99/95/15/566999515.db2.gz GIIAOSMJGXQQKH-UHFFFAOYSA-N -1 1 392.196 3.141 20 30 GGEDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1O ZINC000612997943 567009507 /nfs/dbraw/zinc/00/95/07/567009507.db2.gz VOZZCDWGTXZGPF-UHFFFAOYSA-N -1 1 381.251 3.444 20 30 GGEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000545294085 567035641 /nfs/dbraw/zinc/03/56/41/567035641.db2.gz TUGBFJTZWKIRCW-UHFFFAOYSA-N -1 1 380.809 3.028 20 30 GGEDMM 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CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000502497581 567438066 /nfs/dbraw/zinc/43/80/66/567438066.db2.gz YGMFMMFJAXONBK-UHFFFAOYSA-N -1 1 382.850 3.433 20 30 GGEDMM COc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1Br ZINC000619463119 567456053 /nfs/dbraw/zinc/45/60/53/567456053.db2.gz HDCKAWAWIBSMCM-UHFFFAOYSA-N -1 1 381.251 3.325 20 30 GGEDMM N#C[C@@H](NC(=O)c1cc(I)ccc1[O-])c1ccccc1F ZINC000436972829 567469757 /nfs/dbraw/zinc/46/97/57/567469757.db2.gz QDIPIDWNVXBEHB-CYBMUJFWSA-N -1 1 396.159 3.131 20 30 GGEDMM CCOc1cc(-c2noc(-c3cc(C#N)c[nH]3)n2)cc(Br)c1[O-] ZINC000436994686 567473368 /nfs/dbraw/zinc/47/33/68/567473368.db2.gz AEVGOJUVUATNSM-UHFFFAOYSA-N -1 1 375.182 3.470 20 30 GGEDMM N#Cc1c[nH]c(-c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)c1 ZINC000551072536 567477101 /nfs/dbraw/zinc/47/71/01/567477101.db2.gz WHTRZYLWZUQQNR-UHFFFAOYSA-N -1 1 382.181 3.151 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)c1 ZINC000619732492 567477246 /nfs/dbraw/zinc/47/72/46/567477246.db2.gz OTRZVBXWDYCLGP-AWEZNQCLSA-N -1 1 377.169 3.029 20 30 GGEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c1F ZINC000594576894 567487137 /nfs/dbraw/zinc/48/71/37/567487137.db2.gz HWQPHSNWOZNFSH-MGPLVRAMSA-N -1 1 388.848 3.016 20 30 GGEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1F ZINC000594576896 567487161 /nfs/dbraw/zinc/48/71/61/567487161.db2.gz HWQPHSNWOZNFSH-QLJPJBMISA-N -1 1 388.848 3.016 20 30 GGEDMM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000551207817 567487291 /nfs/dbraw/zinc/48/72/91/567487291.db2.gz VHWAKAGOBUGPRU-UHFFFAOYSA-N -1 1 387.219 3.165 20 30 GGEDMM N#Cc1cccc(C2([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000551225466 567489742 /nfs/dbraw/zinc/48/97/42/567489742.db2.gz LTZAIVPDHXZQJS-UHFFFAOYSA-N -1 1 377.809 3.087 20 30 GGEDMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000479128945 567506095 /nfs/dbraw/zinc/50/60/95/567506095.db2.gz JWSGMUZLNRNEGS-UHFFFAOYSA-N -1 1 391.250 3.306 20 30 GGEDMM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000479168510 567511655 /nfs/dbraw/zinc/51/16/55/567511655.db2.gz YOFXHKMHJCWBLI-HZMBPMFUSA-N -1 1 375.263 3.339 20 30 GGEDMM C[C@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438056258 567517246 /nfs/dbraw/zinc/51/72/46/567517246.db2.gz ZZDQSKQMLROKJM-SNVBAGLBSA-N -1 1 381.816 3.378 20 30 GGEDMM CCSC1(C[N-]S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 ZINC000595351556 567557617 /nfs/dbraw/zinc/55/76/17/567557617.db2.gz WTCOUTWPFCIRMU-UHFFFAOYSA-N -1 1 393.303 3.024 20 30 GGEDMM C=C[C@@H](CCC(=O)[O-])NCc1cc(Cl)ccc1I ZINC000596022378 567598872 /nfs/dbraw/zinc/59/88/72/567598872.db2.gz VWDLYFAKRIODSL-NSHDSACASA-N -1 1 379.625 3.454 20 30 GGEDMM N#CC1(c2ccccn2)CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000572129302 567615581 /nfs/dbraw/zinc/61/55/81/567615581.db2.gz VWXNKYPWIZHHJJ-UHFFFAOYSA-N -1 1 386.249 3.247 20 30 GGEDMM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000506583893 567632896 /nfs/dbraw/zinc/63/28/96/567632896.db2.gz 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/nfs/dbraw/zinc/72/66/56/567726656.db2.gz VMLPAJWDEPVTLQ-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1OC ZINC000508126065 567732202 /nfs/dbraw/zinc/73/22/02/567732202.db2.gz RYUAKJJPYKCDAX-UHFFFAOYSA-N -1 1 397.250 3.139 20 30 GGEDMM COC(=O)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1Cl ZINC000443129710 567735221 /nfs/dbraw/zinc/73/52/21/567735221.db2.gz OBPOVVUVJGPHLG-HNNXBMFYSA-N -1 1 379.199 3.215 20 30 GGEDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)s1 ZINC000443373674 567752727 /nfs/dbraw/zinc/75/27/27/567752727.db2.gz XKSGFQZFNDOVRX-UHFFFAOYSA-N -1 1 390.412 3.030 20 30 GGEDMM CC[C@@H](C)CN(C)c1ccc(F)cc1CN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000736321872 599155677 /nfs/dbraw/zinc/15/56/77/599155677.db2.gz GFKMFDGSVIEZJI-LLVKDONJSA-N -1 1 386.435 3.231 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000819095995 597315653 /nfs/dbraw/zinc/31/56/53/597315653.db2.gz QEEKJUBPIFRJBU-UHFFFAOYSA-N -1 1 384.335 3.005 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC2c3ccc(Cl)c(Cl)c3O[C@@H]2C)o1 ZINC000737468133 598357344 /nfs/dbraw/zinc/35/73/44/598357344.db2.gz ZVXDTWRAMHCNFB-RXMQYKEDSA-N -1 1 380.195 3.067 20 30 GGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2c(Cl)nc3ccccn32)o1 ZINC000735451227 599534723 /nfs/dbraw/zinc/53/47/23/599534723.db2.gz VBZGVNJZUXYSRK-UHFFFAOYSA-N -1 1 399.846 3.190 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000736203464 599838454 /nfs/dbraw/zinc/83/84/54/599838454.db2.gz TTWAMIRMHZJIAM-GFCCVEGCSA-N -1 1 376.459 3.437 20 30 GGEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738364607 600295810 /nfs/dbraw/zinc/29/58/10/600295810.db2.gz XLSLCNCAKXZWQJ-PKOBYXMFSA-N -1 1 383.492 3.125 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000739129839 600303075 /nfs/dbraw/zinc/30/30/75/600303075.db2.gz HBAWQKKOWCQQPE-UHFFFAOYSA-N -1 1 399.350 3.145 20 30 GGEDMM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000547883407 600394818 /nfs/dbraw/zinc/39/48/18/600394818.db2.gz FAGUNBCBAXYFFO-UHFFFAOYSA-N -1 1 384.335 3.385 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000739092747 600395276 /nfs/dbraw/zinc/39/52/76/600395276.db2.gz IVDVEBAMUJFHMR-UHFFFAOYSA-N -1 1 398.362 3.395 20 30 GGEDMM CCOc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1OCC(=O)[O-] ZINC000737179905 600519164 /nfs/dbraw/zinc/51/91/64/600519164.db2.gz UJCZHUSYOQTNOR-CQSZACIVSA-N -1 1 393.399 3.224 20 30 GGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000739107359 600562866 /nfs/dbraw/zinc/56/28/66/600562866.db2.gz WUQHRFRXMNHRDO-IBGZPJMESA-N -1 1 387.842 3.294 20 30 GGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000739106840 600562954 /nfs/dbraw/zinc/56/29/54/600562954.db2.gz UDSIQUGXWIUJQW-FQEVSTJZSA-N -1 1 399.878 3.034 20 30 GGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000739107749 600564628 /nfs/dbraw/zinc/56/46/28/600564628.db2.gz ZHDLQEBJHJSGBH-LJQANCHMSA-N -1 1 387.842 3.294 20 30 GGEDMM C[C@H](c1ccc(F)cc1F)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736716850 600568385 /nfs/dbraw/zinc/56/83/85/600568385.db2.gz IYIOKKHDQXZKNT-JLTOFOAXSA-N -1 1 385.414 3.341 20 30 GGEDMM C[C@@H](c1ccc(F)cc1F)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736716851 600568570 /nfs/dbraw/zinc/56/85/70/600568570.db2.gz IYIOKKHDQXZKNT-VBKZILBWSA-N -1 1 385.414 3.341 20 30 GGEDMM C[C@@H](c1ccc(F)cc1F)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736716853 600568608 /nfs/dbraw/zinc/56/86/08/600568608.db2.gz IYIOKKHDQXZKNT-XOBRGWDASA-N -1 1 385.414 3.341 20 30 GGEDMM COc1ccc(Br)c(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000737917699 600594661 /nfs/dbraw/zinc/59/46/61/600594661.db2.gz LYWVKISMDCPYNE-INIZCTEOSA-N -1 1 375.222 3.245 20 30 GGEDMM COc1ccc(Br)cc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737921018 600596613 /nfs/dbraw/zinc/59/66/13/600596613.db2.gz VEUZBZXFXKTSKW-MRXNPFEDSA-N -1 1 375.222 3.245 20 30 GGEDMM N#Cc1ccc([C@@H](OC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000739112005 600803831 /nfs/dbraw/zinc/80/38/31/600803831.db2.gz XNYRSIWYLBCEAT-AZUAARDMSA-N -1 1 396.418 3.278 20 30 GGEDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C#Cc3ccccn3)c2)cs1 ZINC000833306030 600982018 /nfs/dbraw/zinc/98/20/18/600982018.db2.gz NAPWQJUUZZONMS-UHFFFAOYSA-N -1 1 384.438 3.042 20 30 GGEDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000827217277 601132591 /nfs/dbraw/zinc/13/25/91/601132591.db2.gz BCNAWBMZMUHIHD-CABCVRRESA-N -1 1 390.509 3.094 20 30 GGEDMM Cc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C(=O)[O-] ZINC000832945461 601141512 /nfs/dbraw/zinc/14/15/12/601141512.db2.gz INOSFVLPFRRRCH-UHFFFAOYSA-N -1 1 392.459 3.305 20 30 GGEDMM COc1ccc(Cl)cc1CN1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832367401 601310259 /nfs/dbraw/zinc/31/02/59/601310259.db2.gz CDCVPHAJBQTIST-HXUWFJFHSA-N -1 1 399.878 3.164 20 30 GGEDMM COc1ccc(Cl)cc1CN1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000832367400 601310323 /nfs/dbraw/zinc/31/03/23/601310323.db2.gz CDCVPHAJBQTIST-FQEVSTJZSA-N -1 1 399.878 3.164 20 30 GGEDMM CN(Cc1cc2c(cc1OC(F)F)OCO2)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830811171 601320221 /nfs/dbraw/zinc/32/02/21/601320221.db2.gz QLPUTSRDIOMGIV-QGZVFWFLSA-N -1 1 390.342 3.146 20 30 GGEDMM CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000827037879 601326283 /nfs/dbraw/zinc/32/62/83/601326283.db2.gz CQRKANYLFJBKSM-POHAHGRESA-N -1 1 386.429 3.244 20 30 GGEDMM CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000827038169 601828889 /nfs/dbraw/zinc/82/88/89/601828889.db2.gz IUSWIHADTCZQRN-UHFFFAOYSA-N -1 1 394.836 3.498 20 30 GGEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@H]2CCCO2)c1 ZINC000832933435 601850667 /nfs/dbraw/zinc/85/06/67/601850667.db2.gz BTNLFWONHTZVCX-CTNGQTDRSA-N -1 1 380.444 3.340 20 30 GGEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@H]2CCCO2)c1 ZINC000832933412 601850734 /nfs/dbraw/zinc/85/07/34/601850734.db2.gz AYSCICXQLSENOJ-CTNGQTDRSA-N -1 1 380.444 3.340 20 30 GGEDMM C=CCOc1c(Br)cc(CN2CCC[C@@H]2CC(=O)[O-])cc1OC ZINC000833377936 604660283 /nfs/dbraw/zinc/66/02/83/604660283.db2.gz RHWUELROOLZWHD-CYBMUJFWSA-N -1 1 384.270 3.462 20 30 GGEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832849597 604746124 /nfs/dbraw/zinc/74/61/24/604746124.db2.gz LBNPAKJMVHFXAB-CYBMUJFWSA-N -1 1 386.496 3.215 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832850026 604746290 /nfs/dbraw/zinc/74/62/90/604746290.db2.gz XISMMONLSNZDNI-CQSZACIVSA-N -1 1 394.475 3.089 20 30 GGEDMM N#Cc1ccc(-c2nnc(CN(CCCC(=O)[O-])Cc3ccccc3)o2)cc1 ZINC000833071207 604783517 /nfs/dbraw/zinc/78/35/17/604783517.db2.gz YLIZKJVIGGBYTR-UHFFFAOYSA-N -1 1 376.416 3.475 20 30 GGEDMM C#CC[C@@H](NCC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000833360916 605134201 /nfs/dbraw/zinc/13/42/01/605134201.db2.gz SEXXWEMHOATVGK-NQIIRXRSSA-N -1 1 389.455 3.076 20 30 GGEDMM C#CC[C@H](NCC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000833360917 605134383 /nfs/dbraw/zinc/13/43/83/605134383.db2.gz SEXXWEMHOATVGK-RXVVDRJESA-N -1 1 389.455 3.076 20 30 GGEDMM C#CC[C@H](NCC1=C(C(=O)[O-])[C@@H](c2ccccc2)NC(=O)N1C)c1ccccc1 ZINC000833360915 605134488 /nfs/dbraw/zinc/13/44/88/605134488.db2.gz SEXXWEMHOATVGK-GHTZIAJQSA-N -1 1 389.455 3.076 20 30 GGEDMM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833638951 605224359 /nfs/dbraw/zinc/22/43/59/605224359.db2.gz LRTJDKDIBHHJKB-DMPWYTOCSA-N -1 1 393.487 3.491 20 30 GGEDMM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)[O-] ZINC000833638954 605224662 /nfs/dbraw/zinc/22/46/62/605224662.db2.gz LRTJDKDIBHHJKB-WCJKSRRJSA-N -1 1 393.487 3.491 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC000833402677 605598393 /nfs/dbraw/zinc/59/83/93/605598393.db2.gz SEWKEOKGQDUTLS-GFCCVEGCSA-N -1 1 397.412 3.025 20 30 GGEDMM Cc1ccc(C)c(N=C2NC(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)S2)c1 ZINC000822231961 606387236 /nfs/dbraw/zinc/38/72/36/606387236.db2.gz OIWGNMBUENJYGF-ZSOIEALJSA-N -1 1 382.474 3.437 20 30 GGEDMM CCN(CCC#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000821207355 606584789 /nfs/dbraw/zinc/58/47/89/606584789.db2.gz MBCGHPDXFPPCQZ-UHFFFAOYSA-N -1 1 380.383 3.174 20 30 GGEDMM CCN(CCC#N)C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000821207355 606584790 /nfs/dbraw/zinc/58/47/90/606584790.db2.gz MBCGHPDXFPPCQZ-UHFFFAOYSA-N -1 1 380.383 3.174 20 30 GGEDMM Cc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c(Br)c1 ZINC000826286675 607807803 /nfs/dbraw/zinc/80/78/03/607807803.db2.gz LSKRDEFZWVCTHB-UHFFFAOYSA-N -1 1 390.245 3.495 20 30 GGEDMM Cn1c(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)nc2cc(Cl)ccc21 ZINC000826355447 607888109 /nfs/dbraw/zinc/88/81/09/607888109.db2.gz ZYQWJTSBDUOBSS-UHFFFAOYSA-N -1 1 399.846 3.138 20 30 GGEDMM N#Cc1cccc(NCCCCCCCNc2cccc(-c3nnn[n-]3)n2)n1 ZINC000826387512 607902379 /nfs/dbraw/zinc/90/23/79/607902379.db2.gz YXODXMRTXWUADS-UHFFFAOYSA-N -1 1 377.456 3.003 20 30 GGEDMM N#Cc1cccc(NCCCCCCCNc2cccc(-c3nn[n-]n3)n2)n1 ZINC000826387512 607902380 /nfs/dbraw/zinc/90/23/80/607902380.db2.gz YXODXMRTXWUADS-UHFFFAOYSA-N -1 1 377.456 3.003 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC(F)F)c1 ZINC000826190575 608092596 /nfs/dbraw/zinc/09/25/96/608092596.db2.gz GALNRGOCTHXMCT-HYXAFXHYSA-N -1 1 378.360 3.434 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC(F)F)c1 ZINC000826190575 608092597 /nfs/dbraw/zinc/09/25/97/608092597.db2.gz GALNRGOCTHXMCT-HYXAFXHYSA-N -1 1 378.360 3.434 20 30 GGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CCCOc3cc(F)ccc32)o1 ZINC000824141046 609372695 /nfs/dbraw/zinc/37/26/95/609372695.db2.gz BEOCDOCPHOBYHC-UHFFFAOYSA-N -1 1 385.403 3.280 20 30 GGEDMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(CNc2cccc(C#N)n2)cc1 ZINC000824662441 609593861 /nfs/dbraw/zinc/59/38/61/609593861.db2.gz KHZNMSKLTUUUEF-CQSZACIVSA-N -1 1 397.446 3.314 20 30 GGEDMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(CNc2cccc(C#N)n2)cc1 ZINC000824662441 609593862 /nfs/dbraw/zinc/59/38/62/609593862.db2.gz KHZNMSKLTUUUEF-CQSZACIVSA-N -1 1 397.446 3.314 20 30 GGEDMM Cc1sc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C ZINC000737564682 1428208284 /nfs/dbraw/zinc/20/82/84/1428208284.db2.gz WXFFWYDJTXGZIZ-INIZCTEOSA-N -1 1 393.476 3.024 20 30 GGEDMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)ccc21 ZINC000010515058 1398896919 /nfs/dbraw/zinc/89/69/19/1398896919.db2.gz NDDARXHVRFXERE-UHFFFAOYSA-N -1 1 389.864 3.312 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000055639887 1407036746 /nfs/dbraw/zinc/03/67/46/1407036746.db2.gz QCHPAJXIQXTFQO-UHFFFAOYSA-N -1 1 399.472 3.086 20 30 GGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000055639990 1407036996 /nfs/dbraw/zinc/03/69/96/1407036996.db2.gz VANKFBWBXFAOTD-UHFFFAOYSA-N -1 1 384.413 3.276 20 30 GGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000055664175 1407047611 /nfs/dbraw/zinc/04/76/11/1407047611.db2.gz OSTZFAHAPGWRJU-UHFFFAOYSA-N -1 1 384.379 3.422 20 30 GGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000055664120 1407047814 /nfs/dbraw/zinc/04/78/14/1407047814.db2.gz LZOLDCFSAQTLOF-UHFFFAOYSA-N -1 1 384.379 3.422 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3ccc4[nH]cnc4c3)n2)n[n-]c1=S ZINC000026091620 1399859342 /nfs/dbraw/zinc/85/93/42/1399859342.db2.gz IXEIJZGPTRSZIE-UHFFFAOYSA-N -1 1 397.489 3.303 20 30 GGEDMM CCCN(CC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000056484349 1407346146 /nfs/dbraw/zinc/34/61/46/1407346146.db2.gz RECKULNOCXVXLY-UHFFFAOYSA-N -1 1 389.452 3.311 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)Cc3ccc(F)cc3)n2)n[n-]c1=S ZINC000045070557 1404048767 /nfs/dbraw/zinc/04/87/67/1404048767.db2.gz ADRSGURPCQPRER-UHFFFAOYSA-N -1 1 389.481 3.494 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc(Br)cc2)n1 ZINC000826350179 1425718126 /nfs/dbraw/zinc/71/81/26/1425718126.db2.gz LETQWRDTAFJODV-UHFFFAOYSA-N -1 1 378.621 3.124 20 30 GGEDMM C=CCC[C@@H](NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823894557 1426394152 /nfs/dbraw/zinc/39/41/52/1426394152.db2.gz SXCDWXBJEHPTRK-GOSISDBHSA-N -1 1 392.463 3.382 20 30 GGEDMM C=CCCCC(=O)OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819733944 1426611506 /nfs/dbraw/zinc/61/15/06/1426611506.db2.gz FVCOBERFGJKTSW-UHFFFAOYSA-N -1 1 389.481 3.035 20 30 GGEDMM Cn1cc(Cl)cc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048816874 1405297855 /nfs/dbraw/zinc/29/78/55/1405297855.db2.gz NZKIXUAUFWCNLP-LLVKDONJSA-N -1 1 386.864 3.345 20 30 GGEDMM CC(C)(C)n1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000048818064 1405298495 /nfs/dbraw/zinc/29/84/95/1405298495.db2.gz PUGXXQRSYFMVFZ-CYBMUJFWSA-N -1 1 395.488 3.305 20 30 GGEDMM N#CC(=C([O-])c1ccc(OC(F)F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392330 1405375800 /nfs/dbraw/zinc/37/58/00/1405375800.db2.gz IQPAVFITOBMRDY-AWEZNQCLSA-N -1 1 396.357 3.289 20 30 GGEDMM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394082 1405376213 /nfs/dbraw/zinc/37/62/13/1405376213.db2.gz LQCLSARFJSGYAI-AWEZNQCLSA-N -1 1 396.357 3.289 20 30 GGEDMM N#CC(=C([O-])c1cccc(-n2cccc2)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394576 1405376817 /nfs/dbraw/zinc/37/68/17/1405376817.db2.gz FYPPFIUOGHPXNV-SFHVURJKSA-N -1 1 395.426 3.478 20 30 GGEDMM N#Cc1ccc(Nc2cccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2)cc1 ZINC000822833820 1427070032 /nfs/dbraw/zinc/07/00/32/1427070032.db2.gz WGZDFNFZDYIFJV-UHFFFAOYSA-N -1 1 397.398 3.234 20 30 GGEDMM N#C[C@@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826379964 1427534384 /nfs/dbraw/zinc/53/43/84/1427534384.db2.gz IKEMSVIUHAYTMM-OAHLLOKOSA-N -1 1 376.445 3.050 20 30 GGEDMM C=CCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)c1nc(-c2ccccc2)cs1 ZINC000819739825 1428104587 /nfs/dbraw/zinc/10/45/87/1428104587.db2.gz IZYQGBJHRXBFJV-UHFFFAOYSA-N -1 1 391.460 3.162 20 30 GGEDMM CCOc1c(Cl)cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OC ZINC000736625557 1428238828 /nfs/dbraw/zinc/23/88/28/1428238828.db2.gz BTRXOIWFABTTMO-UHFFFAOYSA-N -1 1 398.810 3.051 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)c1 ZINC000736310212 1428242528 /nfs/dbraw/zinc/24/25/28/1428242528.db2.gz WMOMVAIJZZUCGS-HNNXBMFYSA-N -1 1 375.436 3.043 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(CCC#N)CCC#N)cc2)cc1 ZINC000057027329 1407504507 /nfs/dbraw/zinc/50/45/07/1407504507.db2.gz ZREYOAKDZXFXST-UHFFFAOYSA-N -1 1 396.472 3.065 20 30 GGEDMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826341085 1428246655 /nfs/dbraw/zinc/24/66/55/1428246655.db2.gz VYZPBBLSUNSEBW-GFCCVEGCSA-N -1 1 388.387 3.349 20 30 GGEDMM N#Cc1ccc(N2CCN(Cn3c(=S)[n-]nc3CCC3CCCC3)CC2)nc1 ZINC000058206244 1407797930 /nfs/dbraw/zinc/79/79/30/1407797930.db2.gz FDODMNNSMMWBQZ-UHFFFAOYSA-N -1 1 397.552 3.110 20 30 GGEDMM Cc1ccc(C(=O)N(C)CCC#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000060617404 1408012638 /nfs/dbraw/zinc/01/26/38/1408012638.db2.gz VFQPLKFDTFQJGS-UHFFFAOYSA-N -1 1 391.880 3.435 20 30 GGEDMM COc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826188137 1428284152 /nfs/dbraw/zinc/28/41/52/1428284152.db2.gz OLBXUWFJQGZIKW-UHFFFAOYSA-N -1 1 387.241 3.474 20 30 GGEDMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000064298899 1408531065 /nfs/dbraw/zinc/53/10/65/1408531065.db2.gz DKVQOORJEYLKOL-UHFFFAOYSA-N -1 1 387.461 3.301 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cn1 ZINC000737712775 1428328716 /nfs/dbraw/zinc/32/87/16/1428328716.db2.gz UDAQMHJXENEBHD-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N(CC#N)C3CC3)cc2)c1C ZINC000065895346 1408749466 /nfs/dbraw/zinc/74/94/66/1408749466.db2.gz QSUHYEKICOIXCF-UHFFFAOYSA-N -1 1 383.473 3.232 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2)cc1 ZINC000066336969 1408815981 /nfs/dbraw/zinc/81/59/81/1408815981.db2.gz TWPIEIJOAUJSAW-UHFFFAOYSA-N -1 1 383.473 3.314 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C3(C#N)CCC3)c2)c1 ZINC000066336815 1408816162 /nfs/dbraw/zinc/81/61/62/1408816162.db2.gz MWZLZIUEXRSPBO-UHFFFAOYSA-N -1 1 383.473 3.314 20 30 GGEDMM CSc1nc(C)c(CCC(=O)N[C@H](C#N)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000066396719 1408830580 /nfs/dbraw/zinc/83/05/80/1408830580.db2.gz KLFHJHAUTJEVLY-QGZVFWFLSA-N -1 1 398.532 3.411 20 30 GGEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(N)=O)cc3)n2)cc1 ZINC000066543771 1408855513 /nfs/dbraw/zinc/85/55/13/1408855513.db2.gz ARNDGPIWSJRUDM-MRXNPFEDSA-N -1 1 377.425 3.408 20 30 GGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1 ZINC000066587664 1408861726 /nfs/dbraw/zinc/86/17/26/1408861726.db2.gz JUOXLMLMUHGMAO-UHFFFAOYSA-N -1 1 388.489 3.121 20 30 GGEDMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)o1 ZINC000066840768 1408925710 /nfs/dbraw/zinc/92/57/10/1408925710.db2.gz WGQFDEZBPGUTBK-UHFFFAOYSA-N -1 1 397.412 3.104 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(OC(F)F)c2)n1 ZINC000067897806 1409251697 /nfs/dbraw/zinc/25/16/97/1409251697.db2.gz ATLSHFOZUFFQMY-JTQLQIEISA-N -1 1 396.371 3.420 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735505831 1428395464 /nfs/dbraw/zinc/39/54/64/1428395464.db2.gz UAIIARWDGHTJCK-CYBMUJFWSA-N -1 1 393.476 3.169 20 30 GGEDMM CCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000068241505 1409338306 /nfs/dbraw/zinc/33/83/06/1409338306.db2.gz FNRVTHPQEYIOOE-UHFFFAOYSA-N -1 1 391.880 3.435 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000826234383 1428416483 /nfs/dbraw/zinc/41/64/83/1428416483.db2.gz TVLAKPNCGZJIBB-UHFFFAOYSA-N -1 1 383.415 3.398 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccc(CC)cc1 ZINC000735420999 1428418822 /nfs/dbraw/zinc/41/88/22/1428418822.db2.gz WPGNBEXGCFLTIG-UHFFFAOYSA-N -1 1 390.491 3.369 20 30 GGEDMM N#C[C@H](C(=O)COCc1ccccc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000069833461 1409711656 /nfs/dbraw/zinc/71/16/56/1409711656.db2.gz MUPZOPHBCVGSEH-OAHLLOKOSA-N -1 1 393.468 3.256 20 30 GGEDMM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2)cc1 ZINC000070776361 1409774497 /nfs/dbraw/zinc/77/44/97/1409774497.db2.gz FSMSKIJJMBWLTR-UHFFFAOYSA-N -1 1 393.424 3.250 20 30 GGEDMM C[C@@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824513545 1428440633 /nfs/dbraw/zinc/44/06/33/1428440633.db2.gz CDFUESLIRSWZFP-CYBMUJFWSA-N -1 1 383.415 3.224 20 30 GGEDMM N#Cc1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1Cl ZINC000826385339 1428450205 /nfs/dbraw/zinc/45/02/05/1428450205.db2.gz HWLRDEPTBCEIOT-UHFFFAOYSA-N -1 1 376.811 3.394 20 30 GGEDMM CN(C(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1[O-])C1(C#N)CCC1 ZINC000094054668 1410297392 /nfs/dbraw/zinc/29/73/92/1410297392.db2.gz YJRCGYKWSUYDFF-UHFFFAOYSA-N -1 1 385.370 3.441 20 30 GGEDMM CCOc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)ccc1O[C@H](C)C(=O)N(C)C ZINC000096930458 1410337725 /nfs/dbraw/zinc/33/77/25/1410337725.db2.gz LVQVTLLSYCSERL-AYPRBGQRSA-N -1 1 397.427 3.263 20 30 GGEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)CC#N)c2)cc1 ZINC000101515768 1410442216 /nfs/dbraw/zinc/44/22/16/1410442216.db2.gz IKSXHCWVIYXYHM-UHFFFAOYSA-N -1 1 385.489 3.426 20 30 GGEDMM C[C@H](CC#N)N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000103443237 1410856963 /nfs/dbraw/zinc/85/69/63/1410856963.db2.gz IOCQHJRJSWFOIS-CYBMUJFWSA-N -1 1 375.425 3.001 20 30 GGEDMM C=CCN1C(=S)N=NC1c1sc(NC(=O)c2cc(F)ccc2[O-])nc1C ZINC000177020187 1428557215 /nfs/dbraw/zinc/55/72/15/1428557215.db2.gz IMGQEEYSIDSYAK-UHFFFAOYSA-N -1 1 391.453 3.282 20 30 GGEDMM Cc1ccc(NC(=O)c2ccc(C#N)cn2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000107554541 1411387677 /nfs/dbraw/zinc/38/76/77/1411387677.db2.gz IMJCWRDMZZDIKB-UHFFFAOYSA-N -1 1 392.440 3.315 20 30 GGEDMM Cc1ccc(NC(=O)c2ccc(C#N)cn2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000107554990 1411387731 /nfs/dbraw/zinc/38/77/31/1411387731.db2.gz PRDBBRHCDNPYFH-UHFFFAOYSA-N -1 1 392.440 3.315 20 30 GGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c1 ZINC000108250175 1411459569 /nfs/dbraw/zinc/45/95/69/1411459569.db2.gz ZWIKXVGMVHQTBK-UHFFFAOYSA-N -1 1 378.409 3.218 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC1(C#N)CCC1 ZINC000109384464 1411752320 /nfs/dbraw/zinc/75/23/20/1411752320.db2.gz CYDYVTGMGRWUAY-UHFFFAOYSA-N -1 1 387.436 3.111 20 30 GGEDMM COc1ccc(Cn2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)cn2)cc1 ZINC000109413000 1411758381 /nfs/dbraw/zinc/75/83/81/1411758381.db2.gz FDLPIBCDXWMZHM-GOSISDBHSA-N -1 1 385.427 3.317 20 30 GGEDMM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000113281026 1412287131 /nfs/dbraw/zinc/28/71/31/1412287131.db2.gz YVSMARRKTDEXKY-UHFFFAOYSA-N -1 1 397.283 3.033 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C)CC#N)cc2)ccc1F ZINC000113692635 1412333892 /nfs/dbraw/zinc/33/38/92/1412333892.db2.gz NGPWLDXYXIXQRY-ZDUSSCGKSA-N -1 1 376.409 3.394 20 30 GGEDMM N#CC(=C([O-])c1ccc(N2CCNC2=O)cc1)c1nc(-c2ccncc2)cs1 ZINC000114620820 1412479893 /nfs/dbraw/zinc/47/98/93/1412479893.db2.gz ATBUOZHMUYBLQC-INIZCTEOSA-N -1 1 389.440 3.225 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)NC2CCCC2)cc1 ZINC000114673642 1412492704 /nfs/dbraw/zinc/49/27/04/1412492704.db2.gz JKCHHPNKYPCEEL-UHFFFAOYSA-N -1 1 383.473 3.340 20 30 GGEDMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673698 1412493280 /nfs/dbraw/zinc/49/32/80/1412493280.db2.gz RRPUXPDTYBESNE-UHFFFAOYSA-N -1 1 396.428 3.216 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCCC2)c1 ZINC000114673654 1412493591 /nfs/dbraw/zinc/49/35/91/1412493591.db2.gz YLLACMBRXJMAOK-UHFFFAOYSA-N -1 1 383.473 3.294 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3cnc(C)s3)n2)n[n-]c1=S ZINC000116373712 1412853425 /nfs/dbraw/zinc/85/34/25/1412853425.db2.gz LXBAOVDMWSHBAM-UHFFFAOYSA-N -1 1 378.508 3.191 20 30 GGEDMM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCCC#Cc1ccccc1 ZINC000823060901 1428694710 /nfs/dbraw/zinc/69/47/10/1428694710.db2.gz NRMLEQFNDTZXEY-UHFFFAOYSA-N -1 1 378.457 3.085 20 30 GGEDMM COc1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc(OC)c1 ZINC000737044792 1428695454 /nfs/dbraw/zinc/69/54/54/1428695454.db2.gz SJWJPQHDVDRHFA-UHFFFAOYSA-N -1 1 392.341 3.349 20 30 GGEDMM CN(Cc1cccc(C#N)c1)C(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000825976536 1428701186 /nfs/dbraw/zinc/70/11/86/1428701186.db2.gz KOAGUUIPTIAZLS-UHFFFAOYSA-N -1 1 387.230 3.317 20 30 GGEDMM Cc1c(C(=O)C=Cc2nccn2Cc2ccccc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202104 1428703539 /nfs/dbraw/zinc/70/35/39/1428703539.db2.gz JMPVXDHVCGTEIB-MDZDMXLPSA-N -1 1 399.458 3.064 20 30 GGEDMM N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccco1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000119532942 1413478004 /nfs/dbraw/zinc/47/80/04/1413478004.db2.gz FNCQWIPCVIXURF-JHJVBQTASA-N -1 1 379.441 3.436 20 30 GGEDMM CCc1cc(NN=C(C)c2ccc(-c3nnn[n-]3)cc2)nc(-c2ccccn2)n1 ZINC000736677837 1428733449 /nfs/dbraw/zinc/73/34/49/1428733449.db2.gz PCVHMLUZEQSDFJ-UHFFFAOYSA-N -1 1 385.435 3.117 20 30 GGEDMM CCc1cc(N=NC(C)c2ccc(-c3nn[n-]n3)cc2)nc(-c2ccccn2)n1 ZINC000736677837 1428733452 /nfs/dbraw/zinc/73/34/52/1428733452.db2.gz PCVHMLUZEQSDFJ-UHFFFAOYSA-N -1 1 385.435 3.117 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccn3)c2)cc1 ZINC000119994720 1413646267 /nfs/dbraw/zinc/64/62/67/1413646267.db2.gz RUQCDMYJNKGYHB-UHFFFAOYSA-N -1 1 378.413 3.006 20 30 GGEDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc2ccccc2n1CC#N ZINC000736481737 1428748985 /nfs/dbraw/zinc/74/89/85/1428748985.db2.gz UMEJBPPMMXEWBV-UHFFFAOYSA-N -1 1 399.458 3.397 20 30 GGEDMM N#Cc1ccc(O)c(NC(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822833015 1428763811 /nfs/dbraw/zinc/76/38/11/1428763811.db2.gz MAXVGKVCZMIDNO-UHFFFAOYSA-N -1 1 397.398 3.440 20 30 GGEDMM N#Cc1ccc(O)c(NC(=O)c2cccc(Nc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000822833015 1428763817 /nfs/dbraw/zinc/76/38/17/1428763817.db2.gz MAXVGKVCZMIDNO-UHFFFAOYSA-N -1 1 397.398 3.440 20 30 GGEDMM N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000121034613 1413983839 /nfs/dbraw/zinc/98/38/39/1413983839.db2.gz HZIGHWVIRMGGEM-UHFFFAOYSA-N -1 1 398.806 3.128 20 30 GGEDMM CC(=NN[C@H](C)c1ccccc1)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000735450771 1428772266 /nfs/dbraw/zinc/77/22/66/1428772266.db2.gz DAWPJWNNVANQJY-CQSZACIVSA-N -1 1 386.463 3.436 20 30 GGEDMM COc1cc(C(=O)/C=C/c2ccc([O-])c(F)c2)ccc1S(=O)(=O)C(F)F ZINC000121146433 1414024028 /nfs/dbraw/zinc/02/40/28/1414024028.db2.gz UBONCZQUSOZBDT-GORDUTHDSA-N -1 1 386.347 3.432 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)Cc3csc(C)n3)n2)n[n-]c1=S ZINC000121266137 1414064835 /nfs/dbraw/zinc/06/48/35/1414064835.db2.gz XMGIZXISFAZLDS-UHFFFAOYSA-N -1 1 392.535 3.120 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000122087910 1414359663 /nfs/dbraw/zinc/35/96/63/1414359663.db2.gz RXIMURKVHNRARC-UHFFFAOYSA-N -1 1 393.447 3.282 20 30 GGEDMM CC[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000122181437 1414382038 /nfs/dbraw/zinc/38/20/38/1414382038.db2.gz LGUMTGIJZLAKEN-OAHLLOKOSA-N -1 1 376.409 3.394 20 30 GGEDMM COc1csc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000177590215 1428804905 /nfs/dbraw/zinc/80/49/05/1428804905.db2.gz UGDGADSXVXNVSO-NSHDSACASA-N -1 1 385.470 3.424 20 30 GGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000122389435 1414444032 /nfs/dbraw/zinc/44/40/32/1414444032.db2.gz BAKWSVSJPVVMQG-QGZVFWFLSA-N -1 1 389.452 3.295 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-n3ccnc3C)cc2)cc1-c1nnn[n-]1 ZINC000821787130 1428809236 /nfs/dbraw/zinc/80/92/36/1428809236.db2.gz OOAATIDYVUMTOZ-YCRREMRBSA-N -1 1 386.415 3.266 20 30 GGEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)o1 ZINC000122447773 1414463420 /nfs/dbraw/zinc/46/34/20/1414463420.db2.gz POCDOADMZLVTFK-UHFFFAOYSA-N -1 1 392.481 3.037 20 30 GGEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177621272 1428813236 /nfs/dbraw/zinc/81/32/36/1428813236.db2.gz JDERNTLJBKTDEN-UHFFFAOYSA-N -1 1 397.378 3.128 20 30 GGEDMM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825615561 1428814087 /nfs/dbraw/zinc/81/40/87/1428814087.db2.gz AETNCPVKNPSJNG-UHFFFAOYSA-N -1 1 383.795 3.318 20 30 GGEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000122882561 1414587981 /nfs/dbraw/zinc/58/79/81/1414587981.db2.gz ZXPLWXDTPBHGOV-AZUAARDMSA-N -1 1 397.438 3.319 20 30 GGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000122922477 1414597985 /nfs/dbraw/zinc/59/79/85/1414597985.db2.gz WMKXLOMSILRQGH-UHFFFAOYSA-N -1 1 398.488 3.411 20 30 GGEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000177668397 1428828610 /nfs/dbraw/zinc/82/86/10/1428828610.db2.gz WNPRGRUYSJWNMJ-CQSZACIVSA-N -1 1 388.367 3.145 20 30 GGEDMM CCN(c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1)C(C)C ZINC000736565150 1428829010 /nfs/dbraw/zinc/82/90/10/1428829010.db2.gz QUJBQQDWHULXLW-UHFFFAOYSA-N -1 1 375.436 3.225 20 30 GGEDMM C#CCNC(=S)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000823850213 1428831441 /nfs/dbraw/zinc/83/14/41/1428831441.db2.gz LEYIESGMKLGWJW-UHFFFAOYSA-N -1 1 384.852 3.232 20 30 GGEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737727418 1428842468 /nfs/dbraw/zinc/84/24/68/1428842468.db2.gz LMHITSBXWSDPAM-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM C=CCn1c(SCc2cc(=O)oc3cc([O-])ccc23)nnc1-c1cnccn1 ZINC000124040453 1414874954 /nfs/dbraw/zinc/87/49/54/1414874954.db2.gz MEPZMOWLPJEAPY-UHFFFAOYSA-N -1 1 393.428 3.025 20 30 GGEDMM CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000177742975 1428847847 /nfs/dbraw/zinc/84/78/47/1428847847.db2.gz BOBWXVJPOGUNSJ-GFCCVEGCSA-N -1 1 384.486 3.292 20 30 GGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000177747775 1428849019 /nfs/dbraw/zinc/84/90/19/1428849019.db2.gz WWPBGLIEINSSRR-LBPRGKRZSA-N -1 1 382.405 3.245 20 30 GGEDMM CSc1nc(C)c(CCC(=O)[C@H](C#N)c2nc(C(C)C)cs2)c(=O)[n-]1 ZINC000177777224 1428856230 /nfs/dbraw/zinc/85/62/30/1428856230.db2.gz WXMHNJRIFWYYFF-LBPRGKRZSA-N -1 1 376.507 3.189 20 30 GGEDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000124957320 1415080891 /nfs/dbraw/zinc/08/08/91/1415080891.db2.gz FWWDJDCCLJXDHE-UHFFFAOYSA-N -1 1 378.385 3.227 20 30 GGEDMM N#Cc1cccc(C2(NC(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)c1 ZINC000826386360 1428873424 /nfs/dbraw/zinc/87/34/24/1428873424.db2.gz ATSBKJVYDBKJHW-UHFFFAOYSA-N -1 1 395.879 3.367 20 30 GGEDMM O=C(C=Cc1cn(-c2ccc(F)cc2Cl)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403093 1428877953 /nfs/dbraw/zinc/87/79/53/1428877953.db2.gz JRGLCBQQKZXUPN-FNORWQNLSA-N -1 1 395.785 3.136 20 30 GGEDMM CN(CCC#N)c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000825914455 1428884043 /nfs/dbraw/zinc/88/40/43/1428884043.db2.gz GDGOZQZMDHYFGX-UHFFFAOYSA-N -1 1 380.843 3.316 20 30 GGEDMM Cc1cc(C(=O)O[C@@H](C)c2cccc(C#N)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261060 1428917227 /nfs/dbraw/zinc/91/72/27/1428917227.db2.gz PGPYPWKPAOJGRW-AWEZNQCLSA-N -1 1 399.414 3.151 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1noc(-c2ccccc2)n1 ZINC000126587972 1415500229 /nfs/dbraw/zinc/50/02/29/1415500229.db2.gz BDISDFAEFFSKAS-LLVKDONJSA-N -1 1 388.836 3.301 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)co3)c2)c1 ZINC000126785020 1415557648 /nfs/dbraw/zinc/55/76/48/1415557648.db2.gz WTQXMRZUBDDDNR-UHFFFAOYSA-N -1 1 397.456 3.367 20 30 GGEDMM C=C[C@H](CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)c1ccccc1 ZINC000823883134 1428949319 /nfs/dbraw/zinc/94/93/19/1428949319.db2.gz JTHNQGHYOUCUPD-OXQOHEQNSA-N -1 1 389.459 3.127 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)cc1 ZINC000126862067 1415587877 /nfs/dbraw/zinc/58/78/77/1415587877.db2.gz VPHVGRXCEFENEK-UHFFFAOYSA-N -1 1 375.413 3.069 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC#N)c2)cc1C ZINC000126888948 1415596382 /nfs/dbraw/zinc/59/63/82/1415596382.db2.gz MNOMTPQUQOACCW-UHFFFAOYSA-N -1 1 377.853 3.011 20 30 GGEDMM O=C(C=Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826402850 1428998571 /nfs/dbraw/zinc/99/85/71/1428998571.db2.gz DLXWMRPRTAOVNP-VMPITWQZSA-N -1 1 395.785 3.136 20 30 GGEDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccco1 ZINC000127574065 1415812553 /nfs/dbraw/zinc/81/25/53/1415812553.db2.gz QEKOYNWRHUIFOU-IBGZPJMESA-N -1 1 386.404 3.367 20 30 GGEDMM C[C@H](NC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C#N)cc1 ZINC000736128191 1429002515 /nfs/dbraw/zinc/00/25/15/1429002515.db2.gz WEWYAEMGEKOUME-JTQLQIEISA-N -1 1 383.868 3.439 20 30 GGEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127687356 1415832875 /nfs/dbraw/zinc/83/28/75/1415832875.db2.gz HRJMPZJWRNYYEA-CYBMUJFWSA-N -1 1 393.384 3.074 20 30 GGEDMM Cn1ccnc1SCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128232347 1415945146 /nfs/dbraw/zinc/94/51/46/1415945146.db2.gz AMONFTSANQSEMS-HNNXBMFYSA-N -1 1 380.429 3.267 20 30 GGEDMM N#CCN(C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)C1CCCC1 ZINC000128329522 1415963906 /nfs/dbraw/zinc/96/39/06/1415963906.db2.gz ZOXANVCVQQYTAE-UHFFFAOYSA-N -1 1 383.473 3.396 20 30 GGEDMM Cc1cc(OCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc(C)c1Cl ZINC000822210722 1429033085 /nfs/dbraw/zinc/03/30/85/1429033085.db2.gz OPKSEDNONNDUPD-UHFFFAOYSA-N -1 1 382.811 3.026 20 30 GGEDMM N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000128743692 1416056682 /nfs/dbraw/zinc/05/66/82/1416056682.db2.gz OIEVCGYLUZCMPM-QGZVFWFLSA-N -1 1 389.377 3.434 20 30 GGEDMM FC(F)(F)c1nc2ccccc2c(NN=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000826369250 1429056148 /nfs/dbraw/zinc/05/61/48/1429056148.db2.gz UDKWQDFSAKXAIM-UHFFFAOYSA-N -1 1 384.325 3.275 20 30 GGEDMM FC(F)(F)c1nc2ccccc2c(N=NCc2ccccc2-c2nn[n-]n2)n1 ZINC000826369250 1429056152 /nfs/dbraw/zinc/05/61/52/1429056152.db2.gz UDKWQDFSAKXAIM-UHFFFAOYSA-N -1 1 384.325 3.275 20 30 GGEDMM FC(F)(F)c1nc2ccccc2c(N=NCc2ccccc2-c2nnn[n-]2)n1 ZINC000826369250 1429056159 /nfs/dbraw/zinc/05/61/59/1429056159.db2.gz UDKWQDFSAKXAIM-UHFFFAOYSA-N -1 1 384.325 3.275 20 30 GGEDMM COCCOc1ccc(-c2nnn[n-]2)cc1NCC#Cc1ccc(Cl)cc1 ZINC000826162061 1429067450 /nfs/dbraw/zinc/06/74/50/1429067450.db2.gz LOYMNWMXVXPLCH-UHFFFAOYSA-N -1 1 383.839 3.009 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000826233950 1429077813 /nfs/dbraw/zinc/07/78/13/1429077813.db2.gz BCGSZJNMRZCGLB-UHFFFAOYSA-N -1 1 383.415 3.398 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3cccc(Cl)n3)n2)n[n-]c1=S ZINC000129999863 1416300343 /nfs/dbraw/zinc/30/03/43/1416300343.db2.gz YBHRIVADFHGYBX-UHFFFAOYSA-N -1 1 392.897 3.475 20 30 GGEDMM CC(C)n1nccc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000130123074 1416322533 /nfs/dbraw/zinc/32/25/33/1416322533.db2.gz IWNMQQAYCXZSAK-LBPRGKRZSA-N -1 1 381.461 3.131 20 30 GGEDMM CCCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000130132585 1416324152 /nfs/dbraw/zinc/32/41/52/1416324152.db2.gz YFWFWCLBOSQMRM-UHFFFAOYSA-N -1 1 389.452 3.311 20 30 GGEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(-c2ccccn2)n1 ZINC000131224100 1416526202 /nfs/dbraw/zinc/52/62/02/1416526202.db2.gz WQIVKCRWWBQIRC-GFCCVEGCSA-N -1 1 378.413 3.175 20 30 GGEDMM N#Cc1c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)sc2c1-c1ccccc1CC2 ZINC000737704564 1429113798 /nfs/dbraw/zinc/11/37/98/1429113798.db2.gz HHRIWSHWLDPNMU-UHFFFAOYSA-N -1 1 399.439 3.213 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)c3n[nH]c4c3CCC4)nc2C)n[n-]c1=S ZINC000131890754 1416642780 /nfs/dbraw/zinc/64/27/80/1416642780.db2.gz QOXZUDBBLWTLHA-UHFFFAOYSA-N -1 1 387.494 3.023 20 30 GGEDMM C[C@@H](C#N)CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735505582 1429129777 /nfs/dbraw/zinc/12/97/77/1429129777.db2.gz RKOQPRMQABUWMA-NSHDSACASA-N -1 1 382.811 3.202 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000132743000 1416810034 /nfs/dbraw/zinc/81/00/34/1416810034.db2.gz ZQMKBYOGSLWHIP-UHFFFAOYSA-N -1 1 383.429 3.058 20 30 GGEDMM CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821077379 1429139268 /nfs/dbraw/zinc/13/92/68/1429139268.db2.gz CVNGSSHFCPBWIP-HNNXBMFYSA-N -1 1 394.460 3.232 20 30 GGEDMM C=CCCO[C@H](C)C(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000823899241 1429149106 /nfs/dbraw/zinc/14/91/06/1429149106.db2.gz RMKYTSBKLLFIJC-OAHLLOKOSA-N -1 1 380.452 3.194 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C(C)(C)C)cc1 ZINC000135591777 1417241648 /nfs/dbraw/zinc/24/16/48/1417241648.db2.gz VPAKNPILUWODGK-UHFFFAOYSA-N -1 1 392.502 3.240 20 30 GGEDMM N#C[C@H](C(=O)CCCc1ccccn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136144781 1417295283 /nfs/dbraw/zinc/29/52/83/1417295283.db2.gz FKZCZJAWJGSEAD-OAHLLOKOSA-N -1 1 392.484 3.458 20 30 GGEDMM N#C[C@@H](C(=O)C=Cc1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136143888 1417295672 /nfs/dbraw/zinc/29/56/72/1417295672.db2.gz KQSAINQGAUAWNT-NPQIQWPPSA-N -1 1 376.441 3.148 20 30 GGEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1csc(-c2ccc(C)n2C)n1 ZINC000136652004 1417335127 /nfs/dbraw/zinc/33/51/27/1417335127.db2.gz MMKKGEWOKWADTP-ZDUSSCGKSA-N -1 1 394.456 3.427 20 30 GGEDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)N(C)[C@H](C)CC#N)c1 ZINC000137000355 1417361478 /nfs/dbraw/zinc/36/14/78/1417361478.db2.gz RHIKSJKERKOOLD-CQSZACIVSA-N -1 1 389.452 3.309 20 30 GGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)c1C#N ZINC000137370922 1417381874 /nfs/dbraw/zinc/38/18/74/1417381874.db2.gz XZJIDYHWQRGHJN-HZPDHXFCSA-N -1 1 385.489 3.281 20 30 GGEDMM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1C#N ZINC000137690702 1417392889 /nfs/dbraw/zinc/39/28/89/1417392889.db2.gz HMBOGWZAPCXHQR-UHFFFAOYSA-N -1 1 384.335 3.385 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3cnc(CC)s3)n2)n[n-]c1=S ZINC000139745974 1417472920 /nfs/dbraw/zinc/47/29/20/1417472920.db2.gz VCBSUYHQLREKKQ-UHFFFAOYSA-N -1 1 392.535 3.445 20 30 GGEDMM COCCOc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821693808 1429226906 /nfs/dbraw/zinc/22/69/06/1429226906.db2.gz OJXYSYACOZXOOW-VBKFSLOCSA-N -1 1 376.416 3.104 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc3c(c(Cl)c2)OCO3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201714 1429228364 /nfs/dbraw/zinc/22/83/64/1429228364.db2.gz HVVXWSWSDXCYOZ-SNAWJCMRSA-N -1 1 397.822 3.201 20 30 GGEDMM Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822084963 1429273895 /nfs/dbraw/zinc/27/38/95/1429273895.db2.gz UILAFNXGQPSLKU-UHFFFAOYSA-N -1 1 375.436 3.489 20 30 GGEDMM C[C@@H](CC#N)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735963839 1429289973 /nfs/dbraw/zinc/28/99/73/1429289973.db2.gz OURXLJYCVYJQOK-NSHDSACASA-N -1 1 382.811 3.344 20 30 GGEDMM CC(C)Oc1ccccc1C=NOCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000735914858 1429316780 /nfs/dbraw/zinc/31/67/80/1429316780.db2.gz VKUSFJITWRPZKQ-UHFFFAOYSA-N -1 1 381.436 3.474 20 30 GGEDMM Cn1cc(C=CC(=O)c2cc(F)cc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359503 1429319412 /nfs/dbraw/zinc/31/94/12/1429319412.db2.gz IWAXCQHWIWEBDQ-SREVYHEPSA-N -1 1 392.369 3.442 20 30 GGEDMM CC1(C#N)CCN(C(=O)c2cccc(Nc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000824779045 1429336544 /nfs/dbraw/zinc/33/65/44/1429336544.db2.gz SGYUUFAFROQCNR-UHFFFAOYSA-N -1 1 387.447 3.376 20 30 GGEDMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(CC#N)cc2)c1 ZINC000179393996 1429357576 /nfs/dbraw/zinc/35/75/76/1429357576.db2.gz KMBCNXVPDHIAKY-UHFFFAOYSA-N -1 1 376.372 3.259 20 30 GGEDMM CCOc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825631618 1429378759 /nfs/dbraw/zinc/37/87/59/1429378759.db2.gz DZCJNXFCDALAHE-DAXSKMNVSA-N -1 1 383.339 3.209 20 30 GGEDMM C=C(C)CN(CC)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735399054 1429386791 /nfs/dbraw/zinc/38/67/91/1429386791.db2.gz OGGFCTMOCIZBOJ-UHFFFAOYSA-N -1 1 377.448 3.484 20 30 GGEDMM Cc1cc(C(=O)N(C)c2cccc(C#N)c2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737226555 1429393591 /nfs/dbraw/zinc/39/35/91/1429393591.db2.gz BSHACPMLSOZIHJ-UHFFFAOYSA-N -1 1 397.442 3.423 20 30 GGEDMM N#C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1c(Cl)cccc1Cl ZINC000737676081 1429410007 /nfs/dbraw/zinc/41/00/07/1429410007.db2.gz UPSYVZKIUZXTEE-SNVBAGLBSA-N -1 1 379.232 3.230 20 30 GGEDMM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000822929270 1429456851 /nfs/dbraw/zinc/45/68/51/1429456851.db2.gz ROKDIMOOTCHCOC-DAXSKMNVSA-N -1 1 395.850 3.253 20 30 GGEDMM N#CC(=C([O-])c1ccc2ncccc2c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000179607239 1429468830 /nfs/dbraw/zinc/46/88/30/1429468830.db2.gz GKTJEKJJOAUQJN-INIZCTEOSA-N -1 1 381.399 3.236 20 30 GGEDMM CC(C)C[C@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735757122 1429472741 /nfs/dbraw/zinc/47/27/41/1429472741.db2.gz TWRCKZXWWOJDBV-GOSISDBHSA-N -1 1 375.436 3.278 20 30 GGEDMM N#CC1(c2ccc(C(=O)OCCCOc3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826379764 1429506499 /nfs/dbraw/zinc/50/64/99/1429506499.db2.gz AQNSKLNJETZENO-UHFFFAOYSA-N -1 1 389.415 3.048 20 30 GGEDMM C=CCc1cc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(OC)c1OC ZINC000819759231 1429524104 /nfs/dbraw/zinc/52/41/04/1429524104.db2.gz QHMZSOBWDYZJTQ-ZDUSSCGKSA-N -1 1 393.447 3.103 20 30 GGEDMM C#CCOc1cc(F)ccc1NC(=O)Cn1c(-c2cccs2)n[n-]c1=S ZINC000152552755 1422140729 /nfs/dbraw/zinc/14/07/29/1422140729.db2.gz NLHQEBDGIPWDDH-UHFFFAOYSA-N -1 1 388.449 3.459 20 30 GGEDMM COc1ccc(CCC(C)=NOCc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000826191528 1429540123 /nfs/dbraw/zinc/54/01/23/1429540123.db2.gz IXKSHBJHXMQSDC-UHFFFAOYSA-N -1 1 381.436 3.409 20 30 GGEDMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2CCC1=O ZINC000179769678 1429551010 /nfs/dbraw/zinc/55/10/10/1429551010.db2.gz PZJRALKGMIYLQE-UHFFFAOYSA-N -1 1 383.473 3.357 20 30 GGEDMM N#Cc1ccc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000737719223 1423227299 /nfs/dbraw/zinc/22/72/99/1423227299.db2.gz RJWBAWLYVSUOLO-IBGZPJMESA-N -1 1 388.431 3.377 20 30 GGEDMM COc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CCCC2)c1 ZINC000737129264 1423268630 /nfs/dbraw/zinc/26/86/30/1423268630.db2.gz RTCZCSYAXFXRKG-UHFFFAOYSA-N -1 1 388.431 3.197 20 30 GGEDMM CC(=O)c1cccc(NC(=O)[C@H](C#N)c2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000155446359 1423367219 /nfs/dbraw/zinc/36/72/19/1423367219.db2.gz UAKARESIYLPTTA-CQSZACIVSA-N -1 1 380.429 3.050 20 30 GGEDMM C=CCCOCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000155467147 1423376389 /nfs/dbraw/zinc/37/63/89/1423376389.db2.gz IABHDOMIKJFUAA-UHFFFAOYSA-N -1 1 388.489 3.118 20 30 GGEDMM CC(C)c1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000735921082 1423434969 /nfs/dbraw/zinc/43/49/69/1423434969.db2.gz IMFLMIFTOJBAGV-UHFFFAOYSA-N -1 1 398.430 3.300 20 30 GGEDMM N#C[C@@H](C(=O)Nc1ccccc1F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155663256 1423475275 /nfs/dbraw/zinc/47/52/75/1423475275.db2.gz XPLPPYXINQFJIQ-LLVKDONJSA-N -1 1 382.420 3.248 20 30 GGEDMM COc1cccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000155665756 1423476218 /nfs/dbraw/zinc/47/62/18/1423476218.db2.gz FOTPJJQAEWKUEB-AWEZNQCLSA-N -1 1 394.456 3.118 20 30 GGEDMM N#C[C@H](C(=O)Nc1cccc(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155667414 1423477431 /nfs/dbraw/zinc/47/74/31/1423477431.db2.gz GWBLIQMYCPEEFF-ZDUSSCGKSA-N -1 1 382.420 3.248 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822819042 1423495725 /nfs/dbraw/zinc/49/57/25/1423495725.db2.gz JTRADIVHYRJMQB-UHFFFAOYSA-N -1 1 391.284 3.253 20 30 GGEDMM COc1ccc2cccc(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2c1 ZINC000826213310 1423556973 /nfs/dbraw/zinc/55/69/73/1423556973.db2.gz SRXALQPZTVOQLP-UHFFFAOYSA-N -1 1 384.399 3.081 20 30 GGEDMM CC[C@@H](C#N)Oc1cc(CNc2cccc(F)c2-c2nnn[n-]2)ccc1OC ZINC000736309864 1423569359 /nfs/dbraw/zinc/56/93/59/1423569359.db2.gz TVRIJYKOGHLJNG-ZDUSSCGKSA-N -1 1 382.399 3.307 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@H](C#N)C1CCCCC1 ZINC000826175325 1423570960 /nfs/dbraw/zinc/57/09/60/1423570960.db2.gz ATQLDWNFAWUOTC-GOSISDBHSA-N -1 1 399.451 3.050 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cc3ccccc3c(Cl)n2)cc1-c1nn[n-]n1 ZINC000737719441 1423584310 /nfs/dbraw/zinc/58/43/10/1423584310.db2.gz QNZYLXXPCUPBQU-UHFFFAOYSA-N -1 1 375.779 3.192 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(-n3ccnc3)cs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234475 1423604166 /nfs/dbraw/zinc/60/41/66/1423604166.db2.gz YJVOKFCQKGZDPH-SNAWJCMRSA-N -1 1 391.460 3.066 20 30 GGEDMM C#CCCCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000155947951 1423606281 /nfs/dbraw/zinc/60/62/81/1423606281.db2.gz LRUNMBINUUAPIX-UHFFFAOYSA-N -1 1 388.464 3.089 20 30 GGEDMM CCCOc1ccc(C=NOCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1OC ZINC000825339106 1423632646 /nfs/dbraw/zinc/63/26/46/1423632646.db2.gz NGXVTNPEFHYELP-UHFFFAOYSA-N -1 1 397.435 3.223 20 30 GGEDMM CCN1CC(=Cc2ccccc2C#N)C(=O)C(=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000825444128 1423636776 /nfs/dbraw/zinc/63/67/76/1423636776.db2.gz JHVKTHYKPTVYRR-AYKLPDECSA-N -1 1 396.454 3.110 20 30 GGEDMM N#Cc1cccc(N(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)n1 ZINC000826386573 1429659222 /nfs/dbraw/zinc/65/92/22/1429659222.db2.gz KKDCRWUXWMAICO-UHFFFAOYSA-N -1 1 385.406 3.479 20 30 GGEDMM CCOc1ccc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000179968287 1429666948 /nfs/dbraw/zinc/66/69/48/1429666948.db2.gz IWKIELSLAWUNBM-ZDUSSCGKSA-N -1 1 394.456 3.147 20 30 GGEDMM COc1cc(C#N)ccc1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826177118 1423731931 /nfs/dbraw/zinc/73/19/31/1423731931.db2.gz SBVRWCJMTXAJNA-UHFFFAOYSA-N -1 1 386.209 3.088 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2nc(C(C)C)n3ccccc23)o1 ZINC000824352557 1423737269 /nfs/dbraw/zinc/73/72/69/1423737269.db2.gz ILLVYFKOEMSLJP-UHFFFAOYSA-N -1 1 379.428 3.195 20 30 GGEDMM N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822801799 1423864608 /nfs/dbraw/zinc/86/46/08/1423864608.db2.gz OUPZAPRHDLYBTC-AWEZNQCLSA-N -1 1 388.412 3.043 20 30 GGEDMM COc1cccc(CC(C)N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826215202 1423901231 /nfs/dbraw/zinc/90/12/31/1423901231.db2.gz JCGTYOXHAFKKIS-UHFFFAOYSA-N -1 1 391.357 3.320 20 30 GGEDMM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157014316 1423903139 /nfs/dbraw/zinc/90/31/39/1423903139.db2.gz XZFPGZYFDGKZID-OAHLLOKOSA-N -1 1 389.433 3.295 20 30 GGEDMM CC(=NNC(=S)Nc1cc(C)ccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823954110 1423985012 /nfs/dbraw/zinc/98/50/12/1423985012.db2.gz ZUQAUIVBDXZBND-UHFFFAOYSA-N -1 1 375.458 3.086 20 30 GGEDMM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1-c1nnn[n-]1 ZINC000737718177 1429690572 /nfs/dbraw/zinc/69/05/72/1429690572.db2.gz KSLXQXMAMKJRPB-UHFFFAOYSA-N -1 1 376.395 3.328 20 30 GGEDMM C=CCOc1ccc(-c2nnc(SCCC[N-]C(=O)C(F)(F)F)o2)cc1 ZINC000157504523 1424025171 /nfs/dbraw/zinc/02/51/71/1424025171.db2.gz OABRLANRKXUEBH-UHFFFAOYSA-N -1 1 387.383 3.462 20 30 GGEDMM CCC[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)c1nnn[n-]1 ZINC000136694173 1424034265 /nfs/dbraw/zinc/03/42/65/1424034265.db2.gz YWOHDCOLQNBIFJ-QGZVFWFLSA-N -1 1 376.420 3.443 20 30 GGEDMM N#Cc1cccc(OCCCCC(=O)OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737730142 1429695957 /nfs/dbraw/zinc/69/59/57/1429695957.db2.gz GRDSNYAIYUBGBU-UHFFFAOYSA-N -1 1 377.404 3.031 20 30 GGEDMM Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000157788794 1424088265 /nfs/dbraw/zinc/08/82/65/1424088265.db2.gz WIWAYLXJZSPHFX-UHFFFAOYSA-N -1 1 380.429 3.248 20 30 GGEDMM COc1cccc(CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C2CC2)c1 ZINC000826215095 1424090095 /nfs/dbraw/zinc/09/00/95/1424090095.db2.gz GMKFOJRZSGYMIX-UHFFFAOYSA-N -1 1 383.843 3.344 20 30 GGEDMM C=CCN(C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1CC1 ZINC000823904009 1424100773 /nfs/dbraw/zinc/10/07/73/1424100773.db2.gz QYCBMQPGBWXEKR-UHFFFAOYSA-N -1 1 381.465 3.096 20 30 GGEDMM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000822806726 1429698506 /nfs/dbraw/zinc/69/85/06/1429698506.db2.gz SBOFAYOHVBFBNZ-XJKSGUPXSA-N -1 1 390.472 3.440 20 30 GGEDMM CC(=NNC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451060 1424165588 /nfs/dbraw/zinc/16/55/88/1424165588.db2.gz NSJBMHRGUMYLNT-UHFFFAOYSA-N -1 1 395.492 3.365 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000820001057 1429703320 /nfs/dbraw/zinc/70/33/20/1429703320.db2.gz BXAFOUVIDNCHTB-UHFFFAOYSA-N -1 1 382.811 3.188 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc(C(F)(F)F)ccc2F)ccc1-c1nnn[n-]1 ZINC000822823371 1424349736 /nfs/dbraw/zinc/34/97/36/1424349736.db2.gz OTUUNVVDCCTICG-UHFFFAOYSA-N -1 1 376.273 3.149 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000826233571 1429725136 /nfs/dbraw/zinc/72/51/36/1429725136.db2.gz MPOSXSHNBVUDSF-UHFFFAOYSA-N -1 1 397.442 3.327 20 30 GGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ncc(Br)s1 ZINC000826400243 1429725584 /nfs/dbraw/zinc/72/55/84/1429725584.db2.gz SVKZPGQAXMHFAR-ARJAWSKDSA-N -1 1 380.202 3.121 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000735993062 1424531280 /nfs/dbraw/zinc/53/12/80/1424531280.db2.gz QKPYZXJGDICLGU-UHFFFAOYSA-N -1 1 398.427 3.382 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc([C@H](C)CCC)n[nH]2)c1 ZINC000159863676 1424544537 /nfs/dbraw/zinc/54/45/37/1424544537.db2.gz CQTGPFYIZXARMV-CYBMUJFWSA-N -1 1 376.482 3.030 20 30 GGEDMM C=CCN(Cc1ccccc1)C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000160025760 1424563860 /nfs/dbraw/zinc/56/38/60/1424563860.db2.gz NFZIPYHBZAPOAM-UHFFFAOYSA-N -1 1 388.471 3.288 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)C(=O)c3ccc(C)cc3)n2)n[n-]c1=S ZINC000160081469 1424572088 /nfs/dbraw/zinc/57/20/88/1424572088.db2.gz VRNPFOLZLPAVNT-UHFFFAOYSA-N -1 1 399.501 3.304 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2sccc2-c2nn[n-]n2)c1C#N ZINC000826234485 1424608626 /nfs/dbraw/zinc/60/86/26/1424608626.db2.gz YSPGHPWJFMUWLW-UHFFFAOYSA-N -1 1 389.444 3.460 20 30 GGEDMM C=CCN(Cc1ccccc1F)C(=O)CCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000160809089 1424636426 /nfs/dbraw/zinc/63/64/26/1424636426.db2.gz OBFIWWLVQJSYOR-UHFFFAOYSA-N -1 1 382.439 3.338 20 30 GGEDMM O=C(C=Cc1cc2c(cc1OC(F)F)OCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000737799759 1424669021 /nfs/dbraw/zinc/66/90/21/1424669021.db2.gz WJLWARFHPHTMQC-PLNGDYQASA-N -1 1 386.314 3.093 20 30 GGEDMM C=CCN(Cc1cnc(N(CC)CC)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914158 1424693246 /nfs/dbraw/zinc/69/32/46/1424693246.db2.gz BURGQBGHBJRGIA-UHFFFAOYSA-N -1 1 383.525 3.358 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc(O[C@H](C)CC)c1 ZINC000823914346 1424707172 /nfs/dbraw/zinc/70/71/72/1424707172.db2.gz GURLOVJJWGOBHX-OAHLLOKOSA-N -1 1 392.463 3.267 20 30 GGEDMM N#Cc1cc(Cl)ccc1N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737703868 1424733841 /nfs/dbraw/zinc/73/38/41/1424733841.db2.gz GCFKBKAOPSLPEO-UHFFFAOYSA-N -1 1 379.855 3.108 20 30 GGEDMM N#CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000180128594 1429749940 /nfs/dbraw/zinc/74/99/40/1429749940.db2.gz UXWLLQUAPTXBLN-UHFFFAOYSA-N -1 1 380.372 3.226 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)Cc1ccccc1F ZINC000735419220 1429755009 /nfs/dbraw/zinc/75/50/09/1429755009.db2.gz QIARMABEBUFJAJ-HNNXBMFYSA-N -1 1 379.439 3.399 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000735419542 1424845858 /nfs/dbraw/zinc/84/58/58/1424845858.db2.gz UXKNKCWGLMRZOO-IAGOWNOFSA-N -1 1 395.413 3.463 20 30 GGEDMM CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000735451272 1424865870 /nfs/dbraw/zinc/86/58/70/1424865870.db2.gz WLCVIWWPIPYNPN-UHFFFAOYSA-N -1 1 397.446 3.044 20 30 GGEDMM CCc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cnn1-c1ccc(C)cc1 ZINC000736669290 1424872839 /nfs/dbraw/zinc/87/28/39/1424872839.db2.gz CIPOTGIHQGUFJA-UHFFFAOYSA-N -1 1 398.430 3.047 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1noc(-c2ccccc2)n1 ZINC000180148473 1429760694 /nfs/dbraw/zinc/76/06/94/1429760694.db2.gz ZPIAQKYANQGSDS-LLVKDONJSA-N -1 1 388.836 3.301 20 30 GGEDMM Cc1cc(C(=O)NCc2ccc(C#N)cc2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236977 1424900314 /nfs/dbraw/zinc/90/03/14/1424900314.db2.gz XDFFDGRNUVPHKA-UHFFFAOYSA-N -1 1 397.442 3.076 20 30 GGEDMM C[C@H](NCc1ccc(C#N)cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000824611769 1424915248 /nfs/dbraw/zinc/91/52/48/1424915248.db2.gz DRJWBRGGLCOBIK-NSHDSACASA-N -1 1 383.253 3.352 20 30 GGEDMM C=CCOc1cccc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819759347 1424937983 /nfs/dbraw/zinc/93/79/83/1424937983.db2.gz UZYRGNZMDMLGTR-UHFFFAOYSA-N -1 1 379.420 3.228 20 30 GGEDMM N#Cc1ccc(F)c(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)c1 ZINC000822829886 1424944598 /nfs/dbraw/zinc/94/45/98/1424944598.db2.gz NQITZEPAHQLWMW-UHFFFAOYSA-N -1 1 397.776 3.252 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CN(Cc3ccccc3)CC[C@@H]2C)o1 ZINC000824962258 1424976510 /nfs/dbraw/zinc/97/65/10/1424976510.db2.gz RAHBZEIEBVBZJC-AWEZNQCLSA-N -1 1 394.483 3.288 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CN(Cc3ccccc3)CC[C@@H]2C)o1 ZINC000824962258 1424976515 /nfs/dbraw/zinc/97/65/15/1424976515.db2.gz RAHBZEIEBVBZJC-AWEZNQCLSA-N -1 1 394.483 3.288 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1c(C)cccc1F ZINC000819745470 1425032489 /nfs/dbraw/zinc/03/24/89/1425032489.db2.gz FHMVYYBFGLSZLH-UHFFFAOYSA-N -1 1 380.427 3.212 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N(C)Cc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000820165485 1425054733 /nfs/dbraw/zinc/05/47/33/1425054733.db2.gz QQKRRCJVACRSMM-UHFFFAOYSA-N -1 1 391.435 3.189 20 30 GGEDMM BrC(C=NNCc1ccc(-c2nnn[n-]2)cc1)=Cc1ccccc1 ZINC000819688391 1425087757 /nfs/dbraw/zinc/08/77/57/1425087757.db2.gz ICAUHAFDEYXJPK-VIBOYJNGSA-N -1 1 383.253 3.378 20 30 GGEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1F ZINC000822842280 1429778816 /nfs/dbraw/zinc/77/88/16/1429778816.db2.gz ABBFJXXSMOOYEB-UHFFFAOYSA-N -1 1 389.350 3.250 20 30 GGEDMM COc1ccc(C=C2Cc3cc(Br)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190995 1425142998 /nfs/dbraw/zinc/14/29/98/1425142998.db2.gz TZMJIBBWOHPMHV-SDQBBNPISA-N -1 1 397.232 3.460 20 30 GGEDMM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820291931 1425168517 /nfs/dbraw/zinc/16/85/17/1425168517.db2.gz AKNQKPZDSSVQOH-ZDUSSCGKSA-N -1 1 378.461 3.246 20 30 GGEDMM C=CCC[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000819734222 1425175323 /nfs/dbraw/zinc/17/53/23/1425175323.db2.gz KHNXJBSWZYBQIM-QGZVFWFLSA-N -1 1 393.447 3.078 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)nnn1-c1ccc(C)cc1 ZINC000822224955 1425192011 /nfs/dbraw/zinc/19/20/11/1425192011.db2.gz HJJPGXVSOYGSDX-JXMROGBWSA-N -1 1 389.394 3.099 20 30 GGEDMM N#Cc1ccc(SCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000737723133 1425198108 /nfs/dbraw/zinc/19/81/08/1425198108.db2.gz QUOLHPWEPLRRRT-UHFFFAOYSA-N -1 1 396.501 3.409 20 30 GGEDMM C=CCSCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823937121 1425286919 /nfs/dbraw/zinc/28/69/19/1425286919.db2.gz IWVODYIFKKZHAG-UHFFFAOYSA-N -1 1 381.461 3.308 20 30 GGEDMM C=CCCOCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823899561 1425289581 /nfs/dbraw/zinc/28/95/81/1425289581.db2.gz YDPKGPLPYGUGTM-UHFFFAOYSA-N -1 1 394.435 3.373 20 30 GGEDMM Cc1ccc(C(=O)NCCCCC#N)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000170902705 1425385718 /nfs/dbraw/zinc/38/57/18/1425385718.db2.gz MHEXZNWBXOQAHV-UHFFFAOYSA-N -1 1 389.452 3.359 20 30 GGEDMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822541612 1425408562 /nfs/dbraw/zinc/40/85/62/1425408562.db2.gz OSLFHEPYALHGGC-UHFFFAOYSA-N -1 1 393.794 3.336 20 30 GGEDMM COc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000826212473 1425417754 /nfs/dbraw/zinc/41/77/54/1425417754.db2.gz RKQYALVZEOMLSH-YBEGLDIGSA-N -1 1 398.426 3.098 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 ZINC000171013278 1425436149 /nfs/dbraw/zinc/43/61/49/1425436149.db2.gz IVKOTELDQKAMQJ-UHFFFAOYSA-N -1 1 394.334 3.428 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 ZINC000171013307 1425436311 /nfs/dbraw/zinc/43/63/11/1425436311.db2.gz DIMZYKGJMFFJHQ-UHFFFAOYSA-N -1 1 394.334 3.428 20 30 GGEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824754711 1425483047 /nfs/dbraw/zinc/48/30/47/1425483047.db2.gz JOWKMGCYPDQFBX-MGPLVRAMSA-N -1 1 378.889 3.055 20 30 GGEDMM N#Cc1ccsc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826387896 1425526033 /nfs/dbraw/zinc/52/60/33/1425526033.db2.gz XMGBWTPQNRAZPX-UHFFFAOYSA-N -1 1 376.854 3.184 20 30 GGEDMM N#Cc1ccc(O)c(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822833396 1425526080 /nfs/dbraw/zinc/52/60/80/1425526080.db2.gz PWWPCAOVSCAGSM-UHFFFAOYSA-N -1 1 398.382 3.489 20 30 GGEDMM N#Cc1ccc(O)c(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000822833396 1425526084 /nfs/dbraw/zinc/52/60/84/1425526084.db2.gz PWWPCAOVSCAGSM-UHFFFAOYSA-N -1 1 398.382 3.489 20 30 GGEDMM FC(F)Oc1ccccc1C=NOCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822737456 1425526472 /nfs/dbraw/zinc/52/64/72/1425526472.db2.gz WCWFGJXZJTXYOQ-UHFFFAOYSA-N -1 1 389.362 3.288 20 30 GGEDMM C=CCOCCNC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823925941 1425531411 /nfs/dbraw/zinc/53/14/11/1425531411.db2.gz RSALUGZHDXAJJO-OAHLLOKOSA-N -1 1 392.463 3.097 20 30 GGEDMM CC[C@H](C#N)Oc1cc(CNc2cccc(F)c2-c2nnn[n-]2)ccc1OC ZINC000736309863 1425584452 /nfs/dbraw/zinc/58/44/52/1425584452.db2.gz TVRIJYKOGHLJNG-CYBMUJFWSA-N -1 1 382.399 3.307 20 30 GGEDMM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(C)n1Cc1ccco1 ZINC000822198588 1425597396 /nfs/dbraw/zinc/59/73/96/1425597396.db2.gz BDBVVTKGFGICCX-UHFFFAOYSA-N -1 1 375.436 3.050 20 30 GGEDMM Fc1cc(NN=Cc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)ccn1 ZINC000826372612 1425612102 /nfs/dbraw/zinc/61/21/02/1425612102.db2.gz FJHAZLMWYUTOAV-UHFFFAOYSA-N -1 1 389.394 3.426 20 30 GGEDMM Clc1ccc2c(c1)nccc2NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737573578 1425616554 /nfs/dbraw/zinc/61/65/54/1425616554.db2.gz MUHJCDMZBXOICZ-UHFFFAOYSA-N -1 1 389.810 3.162 20 30 GGEDMM Cc1cc(C#N)ccc1COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000826257216 1425622664 /nfs/dbraw/zinc/62/26/64/1425622664.db2.gz SNTOGNNZOTXZKW-UHFFFAOYSA-N -1 1 391.431 3.339 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)nnn1-c1cccc(Cl)c1 ZINC000826234352 1425675999 /nfs/dbraw/zinc/67/59/99/1425675999.db2.gz RXHQGOCPLSGDNP-MDZDMXLPSA-N -1 1 391.822 3.305 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)nnn1-c1ccc(Cl)cc1 ZINC000822014862 1425691295 /nfs/dbraw/zinc/69/12/95/1425691295.db2.gz AIRNBGMFLYNFNM-VOTSOKGWSA-N -1 1 397.851 3.367 20 30 GGEDMM C=CCCCN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735412970 1425705089 /nfs/dbraw/zinc/70/50/89/1425705089.db2.gz NOXVEJMVYZZBMR-UHFFFAOYSA-N -1 1 379.424 3.484 20 30 GGEDMM C=CCCOCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823899210 1425735362 /nfs/dbraw/zinc/73/53/62/1425735362.db2.gz PUFYOFQVIAHFDQ-UHFFFAOYSA-N -1 1 395.488 3.340 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000822145306 1425757776 /nfs/dbraw/zinc/75/77/76/1425757776.db2.gz QFWGLTWHOUXDNB-FUHWJXTLSA-N -1 1 388.431 3.390 20 30 GGEDMM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1OC(F)F ZINC000823958802 1425796450 /nfs/dbraw/zinc/79/64/50/1425796450.db2.gz XHCZWCBKMNPDAJ-UHFFFAOYSA-N -1 1 379.758 3.353 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H](C)C#N)c2)c1 ZINC000171845842 1425833756 /nfs/dbraw/zinc/83/37/56/1425833756.db2.gz ZJFLASIQNRSNIV-ZDUSSCGKSA-N -1 1 391.880 3.339 20 30 GGEDMM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000820678808 1425839832 /nfs/dbraw/zinc/83/98/32/1425839832.db2.gz YOMSPHUXEXACQY-BIWSTMPVSA-N -1 1 384.509 3.278 20 30 GGEDMM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820138340 1425854972 /nfs/dbraw/zinc/85/49/72/1425854972.db2.gz VERVLETTYHYSPO-JXMROGBWSA-N -1 1 394.410 3.432 20 30 GGEDMM C=C(C)COc1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000819722794 1425884698 /nfs/dbraw/zinc/88/46/98/1425884698.db2.gz QWJCVZQBVUAKOV-UHFFFAOYSA-N -1 1 382.399 3.282 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCOCC1 ZINC000172123533 1425905275 /nfs/dbraw/zinc/90/52/75/1425905275.db2.gz WJUOSALLORPBRO-UHFFFAOYSA-N -1 1 391.880 3.158 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=CSCc1ccco1 ZINC000819744111 1425918331 /nfs/dbraw/zinc/91/83/31/1425918331.db2.gz WVGJAOWTXZDLAF-DHZHZOJOSA-N -1 1 381.461 3.421 20 30 GGEDMM COc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826187535 1425933606 /nfs/dbraw/zinc/93/36/06/1425933606.db2.gz VIVXJRCYKGNXTI-XFXZXTDPSA-N -1 1 386.415 3.172 20 30 GGEDMM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000826250676 1425942359 /nfs/dbraw/zinc/94/23/59/1425942359.db2.gz MHELEMZSDALYQP-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cc(C#N)cs1 ZINC000821390254 1425969839 /nfs/dbraw/zinc/96/98/39/1425969839.db2.gz VUTYGALGELQVAO-UHFFFAOYSA-N -1 1 375.797 3.071 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)N(C)CCC#N)cc1 ZINC000821703101 1425991370 /nfs/dbraw/zinc/99/13/70/1425991370.db2.gz OQUKZWWWZJMIGJ-UHFFFAOYSA-N -1 1 393.407 3.045 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822829787 1426041156 /nfs/dbraw/zinc/04/11/56/1426041156.db2.gz IYWFQPPMYVVLNB-UHFFFAOYSA-N -1 1 376.273 3.149 20 30 GGEDMM Cc1c(C(=O)C=Cc2cnn(C(C)C)c2)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737202553 1426060354 /nfs/dbraw/zinc/06/03/54/1426060354.db2.gz NMUCVCVJCYMUIS-RUDMXATFSA-N -1 1 388.435 3.034 20 30 GGEDMM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825608678 1426075730 /nfs/dbraw/zinc/07/57/30/1426075730.db2.gz BSJGKKGZBWCMJA-UHFFFAOYSA-N -1 1 375.388 3.040 20 30 GGEDMM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820486607 1426087299 /nfs/dbraw/zinc/08/72/99/1426087299.db2.gz BXYWSINCZVWDBX-IFXJQAMLSA-N -1 1 388.431 3.012 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000172591024 1426102204 /nfs/dbraw/zinc/10/22/04/1426102204.db2.gz CEOBGMJQYOAKJX-KRWDZBQOSA-N -1 1 382.445 3.395 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822818604 1426130662 /nfs/dbraw/zinc/13/06/62/1426130662.db2.gz DHYJRQIQNQURID-UHFFFAOYSA-N -1 1 391.284 3.253 20 30 GGEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2csc(-c3cnccn3)n2)cc1 ZINC000172667841 1426135383 /nfs/dbraw/zinc/13/53/83/1426135383.db2.gz APJJCGQIHXAXDK-CQSZACIVSA-N -1 1 377.429 3.124 20 30 GGEDMM Cc1ccc(-c2nc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000822214187 1426171965 /nfs/dbraw/zinc/17/19/65/1426171965.db2.gz SVQCRNJMPZCHPM-UHFFFAOYSA-N -1 1 375.461 3.422 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCc1cccs1 ZINC000823909348 1426217778 /nfs/dbraw/zinc/21/77/78/1426217778.db2.gz ADSMAKJORKPJAW-UHFFFAOYSA-N -1 1 382.493 3.259 20 30 GGEDMM N#Cc1cccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1F ZINC000826386855 1426255857 /nfs/dbraw/zinc/25/58/57/1426255857.db2.gz VMCWLBARDLDWDM-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM C[C@@H]1CCC[C@](C#N)(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736244724 1426297226 /nfs/dbraw/zinc/29/72/26/1426297226.db2.gz MKWBLJNGFKCDDK-QRWLVFNGSA-N -1 1 382.468 3.004 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000823909861 1426334980 /nfs/dbraw/zinc/33/49/80/1426334980.db2.gz SFLWOMZGUZEQGW-SFHVURJKSA-N -1 1 397.866 3.158 20 30 GGEDMM N#Cc1c(Cl)cccc1S[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826382999 1426392752 /nfs/dbraw/zinc/39/27/52/1426392752.db2.gz FKROXALBPZRWMG-INIZCTEOSA-N -1 1 396.863 3.289 20 30 GGEDMM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000822801791 1426412272 /nfs/dbraw/zinc/41/22/72/1426412272.db2.gz OOZYUJJHWRMYHA-NSHDSACASA-N -1 1 379.232 3.230 20 30 GGEDMM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400228 1426418030 /nfs/dbraw/zinc/41/80/30/1426418030.db2.gz SNSYOIYQEZOVGQ-QHHAFSJGSA-N -1 1 389.184 3.370 20 30 GGEDMM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401358 1426433537 /nfs/dbraw/zinc/43/35/37/1426433537.db2.gz WMTJSBHGNGFLDL-UTCJRWHESA-N -1 1 376.401 3.407 20 30 GGEDMM COc1ccc(NN=C(C)c2cnn(-c3ccc(-c4nnn[n-]4)cc3)c2C)cc1 ZINC000826210570 1426437877 /nfs/dbraw/zinc/43/78/77/1426437877.db2.gz WUWFECIZVVYRFJ-UHFFFAOYSA-N -1 1 388.435 3.206 20 30 GGEDMM C=CCC(CC=C)C(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000819734140 1426444524 /nfs/dbraw/zinc/44/45/24/1426444524.db2.gz JBIVQFLXEAWXGY-UHFFFAOYSA-N -1 1 379.420 3.105 20 30 GGEDMM N#Cc1ccc(Cl)cc1N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737719497 1426457776 /nfs/dbraw/zinc/45/77/76/1426457776.db2.gz VIPQPHBRRWVWIH-UHFFFAOYSA-N -1 1 379.855 3.108 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c[nH]c2c1cccc2C ZINC000735421437 1426468492 /nfs/dbraw/zinc/46/84/92/1426468492.db2.gz ZYPSUBRJXHZNRF-UHFFFAOYSA-N -1 1 386.459 3.414 20 30 GGEDMM N#CCCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000737685185 1426483063 /nfs/dbraw/zinc/48/30/63/1426483063.db2.gz ARSXREMUUQKHPM-UHFFFAOYSA-N -1 1 382.424 3.045 20 30 GGEDMM COc1ccc(CCC(C)=NOCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000826191940 1426516982 /nfs/dbraw/zinc/51/69/82/1426516982.db2.gz VBTJILWXPAJXBA-UHFFFAOYSA-N -1 1 381.436 3.409 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1-c1nnn[n-]1 ZINC000826191131 1426521441 /nfs/dbraw/zinc/52/14/41/1426521441.db2.gz XWDNWBOIGRMIIW-QHHAFSJGSA-N -1 1 385.767 3.333 20 30 GGEDMM N#C[C@@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000737674263 1426531695 /nfs/dbraw/zinc/53/16/95/1426531695.db2.gz HVIMQQJYFNBFQT-CQSZACIVSA-N -1 1 387.230 3.097 20 30 GGEDMM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819701387 1426540229 /nfs/dbraw/zinc/54/02/29/1426540229.db2.gz FIAKKDBGSGSUHL-UHFFFAOYSA-N -1 1 386.774 3.315 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1OCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000821700712 1426577329 /nfs/dbraw/zinc/57/73/29/1426577329.db2.gz VNKLDWIBMNWXDC-UHFFFAOYSA-N -1 1 390.321 3.204 20 30 GGEDMM COc1ccc(CCC(C)=NOCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000826191922 1426588693 /nfs/dbraw/zinc/58/86/93/1426588693.db2.gz UQZCWJCLHBNMNZ-UHFFFAOYSA-N -1 1 381.436 3.279 20 30 GGEDMM CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820234788 1426591020 /nfs/dbraw/zinc/59/10/20/1426591020.db2.gz PLGWGVBHZUTICD-QGZVFWFLSA-N -1 1 399.499 3.122 20 30 GGEDMM N#Cc1c(F)cccc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826383205 1426599816 /nfs/dbraw/zinc/59/98/16/1426599816.db2.gz OXOQLQJFXVIRGC-UHFFFAOYSA-N -1 1 379.399 3.075 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(C#N)cc2)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737202586 1426623506 /nfs/dbraw/zinc/62/35/06/1426623506.db2.gz NTNONVKPPWGSAJ-IZZDOVSWSA-N -1 1 381.399 3.129 20 30 GGEDMM N#Cc1cc(Cl)ccc1-n1ccc(NCc2cc(-c3nn[n-]n3)cs2)n1 ZINC000826383866 1426642983 /nfs/dbraw/zinc/64/29/83/1426642983.db2.gz VAXMHKIXTFUZRV-UHFFFAOYSA-N -1 1 382.840 3.251 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(C)c([N+](=O)[O-])c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737328470 1426687909 /nfs/dbraw/zinc/68/79/09/1426687909.db2.gz DAKJPHMFTWWENY-FPLPWBNLSA-N -1 1 378.392 3.036 20 30 GGEDMM COc1ccc(CSCCCOc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826207763 1426705079 /nfs/dbraw/zinc/70/50/79/1426705079.db2.gz CDOVSUGQVWXRFP-UHFFFAOYSA-N -1 1 381.461 3.449 20 30 GGEDMM C=C1CCN([C@@H](C)C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000735402508 1426744933 /nfs/dbraw/zinc/74/49/33/1426744933.db2.gz CXASTMYJLACAPS-ZDUSSCGKSA-N -1 1 386.525 3.176 20 30 GGEDMM CSCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737180129 1426800286 /nfs/dbraw/zinc/80/02/86/1426800286.db2.gz BZQQBFBTHHLANA-CYBMUJFWSA-N -1 1 384.490 3.310 20 30 GGEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826272204 1426804597 /nfs/dbraw/zinc/80/45/97/1426804597.db2.gz YPVXTLFKAFZQLI-UHFFFAOYSA-N -1 1 385.387 3.420 20 30 GGEDMM N#C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000822801490 1426820745 /nfs/dbraw/zinc/82/07/45/1426820745.db2.gz KANXGNFIDLSOQZ-GOSISDBHSA-N -1 1 382.468 3.004 20 30 GGEDMM CCOC(=O)c1[nH]c2c(c1C)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000825553893 1426887706 /nfs/dbraw/zinc/88/77/06/1426887706.db2.gz YJUJUKFPFGJTNP-XYOKQWHBSA-N -1 1 395.394 3.032 20 30 GGEDMM CCOc1ccc([N+](=O)[O-])cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821426307 1426902480 /nfs/dbraw/zinc/90/24/80/1426902480.db2.gz BYVSYTUQOZMAAC-JLHYYAGUSA-N -1 1 391.387 3.386 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1csc(C)n1 ZINC000735418668 1426984126 /nfs/dbraw/zinc/98/41/26/1426984126.db2.gz IEUXKUHVVUWYMA-LBPRGKRZSA-N -1 1 383.481 3.090 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000174067079 1426984466 /nfs/dbraw/zinc/98/44/66/1426984466.db2.gz ZQHQAYXZLJEZRL-LLVKDONJSA-N -1 1 378.429 3.168 20 30 GGEDMM N#CCOc1ccc(Cl)cc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737696987 1427032544 /nfs/dbraw/zinc/03/25/44/1427032544.db2.gz BIYXSARQPUDXEE-UHFFFAOYSA-N -1 1 397.822 3.098 20 30 GGEDMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N(CCC#N)CCC(C)C)cc1 ZINC000174188447 1427039961 /nfs/dbraw/zinc/03/99/61/1427039961.db2.gz MWYQVOUJCWKSEB-UHFFFAOYSA-N -1 1 387.509 3.405 20 30 GGEDMM CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958095 1427057183 /nfs/dbraw/zinc/05/71/83/1427057183.db2.gz BQSSPIWMEDRRSL-UHFFFAOYSA-N -1 1 375.751 3.404 20 30 GGEDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000822218105 1427062486 /nfs/dbraw/zinc/06/24/86/1427062486.db2.gz XGNBARXVGYGGIW-MJGOQNOKSA-N -1 1 387.447 3.479 20 30 GGEDMM N#Cc1ccccc1N(Cc1ccco1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822842379 1427096071 /nfs/dbraw/zinc/09/60/71/1427096071.db2.gz FXHXOTCKXXYOAC-UHFFFAOYSA-N -1 1 376.401 3.240 20 30 GGEDMM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cnc3ccccc32)cc1 ZINC000819718255 1427127729 /nfs/dbraw/zinc/12/77/29/1427127729.db2.gz CDTRMTKMSIUEGL-UHFFFAOYSA-N -1 1 394.442 3.329 20 30 GGEDMM Cc1c(NCC(=O)N(CCC#N)c2cccc(Cl)c2)cccc1-c1nnn[n-]1 ZINC000822116382 1427131069 /nfs/dbraw/zinc/13/10/69/1427131069.db2.gz RARRGSCHYAADPF-UHFFFAOYSA-N -1 1 395.854 3.187 20 30 GGEDMM CCCn1c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)nc2ccccc21 ZINC000825356737 1427157409 /nfs/dbraw/zinc/15/74/09/1427157409.db2.gz GYABVZDXYFGMBX-UHFFFAOYSA-N -1 1 381.831 3.121 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1-c1nnn[n-]1 ZINC000822829661 1427253197 /nfs/dbraw/zinc/25/31/97/1427253197.db2.gz CKLJBXQAFDUWIM-UHFFFAOYSA-N -1 1 376.273 3.149 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sc([C@H](C)OC)nc1C ZINC000819745919 1427287190 /nfs/dbraw/zinc/28/71/90/1427287190.db2.gz UWKWWOLMPVBBJP-ZDUSSCGKSA-N -1 1 398.492 3.167 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccnc(Oc3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000737708188 1427354030 /nfs/dbraw/zinc/35/40/30/1427354030.db2.gz DJMMTGCUNGDXEJ-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM C=CCN(CC=C)C(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735418411 1427376199 /nfs/dbraw/zinc/37/61/99/1427376199.db2.gz DCWYLHQPSDUIJT-UHFFFAOYSA-N -1 1 375.432 3.260 20 30 GGEDMM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ncc(-c2ccccc2)o1 ZINC000736193861 1427380948 /nfs/dbraw/zinc/38/09/48/1427380948.db2.gz UTRADCUZOXZJOF-JTQLQIEISA-N -1 1 390.432 3.224 20 30 GGEDMM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488871 1427416421 /nfs/dbraw/zinc/41/64/21/1427416421.db2.gz VVOITYMBPQGHRQ-KUHUBIRLSA-N -1 1 388.431 3.012 20 30 GGEDMM CC[C@@H](C)Oc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000820876710 1427428602 /nfs/dbraw/zinc/42/86/02/1427428602.db2.gz SGNRUXLZMDNVJI-CQSZACIVSA-N -1 1 380.452 3.176 20 30 GGEDMM COc1cc(C)c(C(C)N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)cc1OC ZINC000737041986 1427452879 /nfs/dbraw/zinc/45/28/79/1427452879.db2.gz YHIYZLMTEGZAPT-UHFFFAOYSA-N -1 1 399.455 3.215 20 30 GGEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820842096 1427459771 /nfs/dbraw/zinc/45/97/71/1427459771.db2.gz JKGVSMKBRPIULC-CQSZACIVSA-N -1 1 395.398 3.008 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736514222 1427460556 /nfs/dbraw/zinc/46/05/56/1427460556.db2.gz WBMGIZIMWXKNHZ-AWEZNQCLSA-N -1 1 376.420 3.281 20 30 GGEDMM C[C@H](C#N)CN(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000824033811 1427475716 /nfs/dbraw/zinc/47/57/16/1427475716.db2.gz BKHSULDOVYUPAR-SECBINFHSA-N -1 1 379.346 3.041 20 30 GGEDMM N#C[C@H](C(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccn1 ZINC000737672862 1427495388 /nfs/dbraw/zinc/49/53/88/1427495388.db2.gz LCHRIRKGJOEDGN-IBGZPJMESA-N -1 1 396.410 3.331 20 30 GGEDMM Cc1nc(CN=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c2ccccn12 ZINC000737473582 1427516051 /nfs/dbraw/zinc/51/60/51/1427516051.db2.gz DMSMCTNYMPOXAU-UHFFFAOYSA-N -1 1 386.341 3.288 20 30 GGEDMM Cc1nc(C2CCCC2)sc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000822431963 1427575003 /nfs/dbraw/zinc/57/50/03/1427575003.db2.gz QVVHSMDGJGGUSN-UHFFFAOYSA-N -1 1 379.449 3.413 20 30 GGEDMM N#Cc1ccc(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822833608 1427617653 /nfs/dbraw/zinc/61/76/53/1427617653.db2.gz SQDLILIMCBBUDM-UHFFFAOYSA-N -1 1 381.367 3.032 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCCC3)cn1 ZINC000737712388 1427622749 /nfs/dbraw/zinc/62/27/49/1427622749.db2.gz PPDRDXKFOUBLNF-UHFFFAOYSA-N -1 1 379.449 3.106 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000735418609 1427624137 /nfs/dbraw/zinc/62/41/37/1427624137.db2.gz HPJNKVZMZHJCQM-MGPUTAFESA-N -1 1 388.475 3.498 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COCC=Cc1ccccc1 ZINC000819743659 1427744271 /nfs/dbraw/zinc/74/42/71/1427744271.db2.gz NNHUFKLJBYRWJQ-XFFZJAGNSA-N -1 1 389.459 3.111 20 30 GGEDMM C=CCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000735436498 1427799825 /nfs/dbraw/zinc/79/98/25/1427799825.db2.gz LKCCNTMTUQWVBA-KTKRTIGZSA-N -1 1 375.432 3.384 20 30 GGEDMM N#Cc1ccccc1N1CCCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000822842702 1427806274 /nfs/dbraw/zinc/80/62/74/1427806274.db2.gz UREMUTHFNQMOPJ-UHFFFAOYSA-N -1 1 396.458 3.003 20 30 GGEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175711154 1427867135 /nfs/dbraw/zinc/86/71/35/1427867135.db2.gz XDRVMJWWOWRHLY-UHFFFAOYSA-N -1 1 391.393 3.176 20 30 GGEDMM N#Cc1cc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)ccc1F ZINC000826383852 1427883830 /nfs/dbraw/zinc/88/38/30/1427883830.db2.gz ULSUQKGJLJMDSQ-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1SC ZINC000826179003 1427958153 /nfs/dbraw/zinc/95/81/53/1427958153.db2.gz UQUYAPVQZICKJL-UHFFFAOYSA-N -1 1 375.845 3.092 20 30 GGEDMM COc1cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1SC ZINC000826179003 1427958156 /nfs/dbraw/zinc/95/81/56/1427958156.db2.gz UQUYAPVQZICKJL-UHFFFAOYSA-N -1 1 375.845 3.092 20 30 GGEDMM O=C(C#Cc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000176022533 1428031798 /nfs/dbraw/zinc/03/17/98/1428031798.db2.gz DLPDPBFGWYJQNM-UHFFFAOYSA-N -1 1 376.437 3.478 20 30 GGEDMM CC(C)[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000176045282 1428046640 /nfs/dbraw/zinc/04/66/40/1428046640.db2.gz XKRBZMIWZJWLBG-KRWDZBQOSA-N -1 1 376.409 3.331 20 30 GGEDMM CC(N=Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000823958260 1428072798 /nfs/dbraw/zinc/07/27/98/1428072798.db2.gz GWBMAVFNTLRVQT-UHFFFAOYSA-N -1 1 375.751 3.404 20 30 GGEDMM C=C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882807 1428095583 /nfs/dbraw/zinc/09/55/83/1428095583.db2.gz DKSPROVQEGHZNZ-GJZGRUSLSA-N -1 1 391.431 3.097 20 30 GGEDMM C[C@@H](C#N)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824034050 1428116116 /nfs/dbraw/zinc/11/61/16/1428116116.db2.gz GJNOWEFZKCBYEX-KBPBESRZSA-N -1 1 375.436 3.054 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000737710887 1428139722 /nfs/dbraw/zinc/13/97/22/1428139722.db2.gz CURICMZABLTGNK-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM COc1ccc(C#N)cc1CSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000821768898 1428152542 /nfs/dbraw/zinc/15/25/42/1428152542.db2.gz ASASUYOBLSQNTM-UHFFFAOYSA-N -1 1 378.461 3.231 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC1(C#N)CCCCC1 ZINC000824206978 1428188185 /nfs/dbraw/zinc/18/81/85/1428188185.db2.gz MWULIJATRFAPCI-KRWDZBQOSA-N -1 1 383.452 3.287 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1ccc2[nH]ccc2c1 ZINC000823909422 1429784119 /nfs/dbraw/zinc/78/41/19/1429784119.db2.gz CVZGBGOPBRFFAM-UHFFFAOYSA-N -1 1 386.459 3.495 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc(C(=O)OC(C)(C)C)c2)o1 ZINC000824352601 1429796489 /nfs/dbraw/zinc/79/64/89/1429796489.db2.gz JXWPXWOKLZQFQT-UHFFFAOYSA-N -1 1 397.439 3.379 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2coc(-c3ccccc3)n2)o1 ZINC000824280434 1429831105 /nfs/dbraw/zinc/83/11/05/1429831105.db2.gz NODQOANFLODTPT-UHFFFAOYSA-N -1 1 378.396 3.154 20 30 GGEDMM O=C(C=Cc1cn(-c2ccc(F)cc2Cl)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826403092 1429851911 /nfs/dbraw/zinc/85/19/11/1429851911.db2.gz JRGLCBQQKZXUPN-ALCCZGGFSA-N -1 1 395.785 3.136 20 30 GGEDMM Cc1cccn2c(C=NNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)cnc12 ZINC000826308357 1429878952 /nfs/dbraw/zinc/87/89/52/1429878952.db2.gz VXBLKGOKEYJPIY-UHFFFAOYSA-N -1 1 386.341 3.288 20 30 GGEDMM CC(CCc1ccccc1[N+](=O)[O-])N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000735992518 1429897550 /nfs/dbraw/zinc/89/75/50/1429897550.db2.gz IPYPDAZCCOQAGG-UHFFFAOYSA-N -1 1 398.427 3.481 20 30 GGEDMM N#CCC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000826381614 1429912791 /nfs/dbraw/zinc/91/27/91/1429912791.db2.gz RWCFNLOKEVUOEN-SFHVURJKSA-N -1 1 387.447 3.200 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CCOC)CCCC1 ZINC000819743389 1429962263 /nfs/dbraw/zinc/96/22/63/1429962263.db2.gz HTQQZPCYSGAORY-UHFFFAOYSA-N -1 1 398.511 3.161 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(C)cc1OC ZINC000819745513 1430043707 /nfs/dbraw/zinc/04/37/07/1430043707.db2.gz HAJAHFOEIILCMP-UHFFFAOYSA-N -1 1 392.463 3.082 20 30 GGEDMM O=C1c2ccc(Br)cc2OCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826476031 1430081722 /nfs/dbraw/zinc/08/17/22/1430081722.db2.gz ZHYKDPIAIRROHC-GHXNOFRVSA-N -1 1 383.205 3.288 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000750844202 1430118002 /nfs/dbraw/zinc/11/80/02/1430118002.db2.gz PRYODKWTPOWDEC-WZUFQYTHSA-N -1 1 377.404 3.092 20 30 GGEDMM CC1(OCC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCC1 ZINC000820628621 1430148582 /nfs/dbraw/zinc/14/85/82/1430148582.db2.gz JSWQCSZUNMDBEJ-AWEZNQCLSA-N -1 1 394.460 3.126 20 30 GGEDMM C=C(C)COc1cccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735401991 1430149690 /nfs/dbraw/zinc/14/96/90/1430149690.db2.gz CVWYWRRGBIBHIZ-UHFFFAOYSA-N -1 1 378.436 3.486 20 30 GGEDMM C=CCCCN(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735413256 1430159242 /nfs/dbraw/zinc/15/92/42/1430159242.db2.gz RBMCRBJWJCENCG-UHFFFAOYSA-N -1 1 377.448 3.484 20 30 GGEDMM CC(=O)Nc1ccc(C(C)=NOCCCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735483948 1430195019 /nfs/dbraw/zinc/19/50/19/1430195019.db2.gz FBEUYIAGFVTFPH-UHFFFAOYSA-N -1 1 394.435 3.035 20 30 GGEDMM CC(C)Cn1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000181494707 1430310532 /nfs/dbraw/zinc/31/05/32/1430310532.db2.gz IVDPJZJXKUQYJY-AWEZNQCLSA-N -1 1 395.488 3.206 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)OC(C)(C)C#N ZINC000181831586 1430369444 /nfs/dbraw/zinc/36/94/44/1430369444.db2.gz IHCYINKYGPGIOJ-UHFFFAOYSA-N -1 1 376.409 3.394 20 30 GGEDMM CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2[nH]1 ZINC000182500065 1430479087 /nfs/dbraw/zinc/47/90/87/1430479087.db2.gz KWVJGOHKLMACEY-UHFFFAOYSA-N -1 1 387.848 3.416 20 30 GGEDMM CC[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000183852303 1430805151 /nfs/dbraw/zinc/80/51/51/1430805151.db2.gz PCGIRLGLMTYJNO-OAHLLOKOSA-N -1 1 389.452 3.357 20 30 GGEDMM N#CC1(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CCC1 ZINC000183863078 1430806032 /nfs/dbraw/zinc/80/60/32/1430806032.db2.gz BWUGMCYVWGWULG-UHFFFAOYSA-N -1 1 388.420 3.477 20 30 GGEDMM CC[C@H](CC#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000183923912 1430813972 /nfs/dbraw/zinc/81/39/72/1430813972.db2.gz LVTKCTVGIWHAGC-CYBMUJFWSA-N -1 1 393.415 3.188 20 30 GGEDMM CC[C@@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000183924359 1430813982 /nfs/dbraw/zinc/81/39/82/1430813982.db2.gz PIKWRSRESFOSTP-HNNXBMFYSA-N -1 1 375.425 3.049 20 30 GGEDMM CC[C@@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000183925314 1430814164 /nfs/dbraw/zinc/81/41/64/1430814164.db2.gz PKDXQBBTGYLAMN-HNNXBMFYSA-N -1 1 389.452 3.357 20 30 GGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000184893359 1431014863 /nfs/dbraw/zinc/01/48/63/1431014863.db2.gz MKHOIXPCGOCYAH-UHFFFAOYSA-N -1 1 395.484 3.124 20 30 GGEDMM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(C#N)c2)c1 ZINC000185820279 1431243612 /nfs/dbraw/zinc/24/36/12/1431243612.db2.gz FLJYMWSJAHOPTH-UHFFFAOYSA-N -1 1 380.335 3.204 20 30 GGEDMM COCc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1-c1ccccc1 ZINC000186187800 1431348656 /nfs/dbraw/zinc/34/86/56/1431348656.db2.gz BENLVMCQNUKTRM-MRXNPFEDSA-N -1 1 385.427 3.395 20 30 GGEDMM CC[C@@H](CC#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000187981328 1431833427 /nfs/dbraw/zinc/83/34/27/1431833427.db2.gz JIWTZHKDSJZJNG-INIZCTEOSA-N -1 1 376.409 3.476 20 30 GGEDMM CCOC(=O)[C@@H](Cc1ccccc1)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000188298384 1431870743 /nfs/dbraw/zinc/87/07/43/1431870743.db2.gz ADOPHUMWTOJKPS-LJQANCHMSA-N -1 1 378.428 3.043 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3COC3)cc2)cc1C(F)(F)F ZINC000188593223 1431898369 /nfs/dbraw/zinc/89/83/69/1431898369.db2.gz JPXGKBLDSLXSKR-UHFFFAOYSA-N -1 1 398.362 3.155 20 30 GGEDMM COC(=O)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)c(F)c1 ZINC000188951012 1432015247 /nfs/dbraw/zinc/01/52/47/1432015247.db2.gz ACVFIMAADRIOLK-HNNXBMFYSA-N -1 1 376.771 3.091 20 30 GGEDMM CN(C(=O)c1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)c([O-])c1 ZINC000189167013 1432056808 /nfs/dbraw/zinc/05/68/08/1432056808.db2.gz YHAIYDVIZDOPJH-YOFSQIOKSA-N -1 1 389.455 3.172 20 30 GGEDMM CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190035848 1432308587 /nfs/dbraw/zinc/30/85/87/1432308587.db2.gz ONGLLBCLSBVOFB-UHFFFAOYSA-N -1 1 396.834 3.206 20 30 GGEDMM CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190046236 1432310348 /nfs/dbraw/zinc/31/03/48/1432310348.db2.gz NTXOPUVRHSGZRZ-UHFFFAOYSA-N -1 1 391.349 3.383 20 30 GGEDMM Cc1ccc(C(=O)NCC2CC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000190148910 1432328395 /nfs/dbraw/zinc/32/83/95/1432328395.db2.gz QJNKINNDPKJMBD-UHFFFAOYSA-N -1 1 383.473 3.116 20 30 GGEDMM CCOc1ccc(C2(CNC(=O)c3ccc(C#N)c([O-])c3)CCOCC2)cc1 ZINC000190992915 1432545396 /nfs/dbraw/zinc/54/53/96/1432545396.db2.gz LWBZAQRYDVNKCB-UHFFFAOYSA-N -1 1 380.444 3.141 20 30 GGEDMM N#Cc1ccc(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1[O-] ZINC000191016877 1432551110 /nfs/dbraw/zinc/55/11/10/1432551110.db2.gz ROYIBOCPTJZCNL-UHFFFAOYSA-N -1 1 386.333 3.398 20 30 GGEDMM C=CCN(CCOC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000191960367 1432767755 /nfs/dbraw/zinc/76/77/55/1432767755.db2.gz IBRKAKWCRVDGBH-UHFFFAOYSA-N -1 1 388.489 3.070 20 30 GGEDMM O=C(Nc1ccc([O-])c(C(=O)NCC(F)(F)C(F)F)c1)OCC(F)(F)F ZINC000192026841 1432781452 /nfs/dbraw/zinc/78/14/52/1432781452.db2.gz KKUYSCNVBQMVSU-UHFFFAOYSA-N -1 1 392.227 3.133 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)Cn3nc(C)cc3C)nc2C)n[n-]c1=S ZINC000193237633 1432964862 /nfs/dbraw/zinc/96/48/62/1432964862.db2.gz HMBVYQFKQOFYGP-UHFFFAOYSA-N -1 1 389.510 3.011 20 30 GGEDMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000193443176 1433000028 /nfs/dbraw/zinc/00/00/28/1433000028.db2.gz RCARLNLRTLNWMS-SGQUHAKNSA-N -1 1 384.819 3.371 20 30 GGEDMM C[C@@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000194663466 1433212397 /nfs/dbraw/zinc/21/23/97/1433212397.db2.gz MRYUSVIQRYJLFK-NSHDSACASA-N -1 1 395.843 3.312 20 30 GGEDMM CCc1cc(=O)[n-]c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000195068506 1433287798 /nfs/dbraw/zinc/28/77/98/1433287798.db2.gz AYVIAACYFCZBCN-OAHLLOKOSA-N -1 1 384.505 3.377 20 30 GGEDMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)NCC#Cc2ccccc2)c1 ZINC000198889582 1433351544 /nfs/dbraw/zinc/35/15/44/1433351544.db2.gz QTCDOBNNNKUMTQ-UHFFFAOYSA-N -1 1 376.485 3.474 20 30 GGEDMM N#Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000247656214 1433743785 /nfs/dbraw/zinc/74/37/85/1433743785.db2.gz PMTMEOGRPDKFPD-UHFFFAOYSA-N -1 1 391.452 3.289 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(=O)o1 ZINC000255684436 1433887923 /nfs/dbraw/zinc/88/79/23/1433887923.db2.gz HYBOIXDDKKYXEI-NJRZHNRPSA-N -1 1 399.406 3.163 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H](C#N)C(C)C)cc2)c1C ZINC000264710101 1434146935 /nfs/dbraw/zinc/14/69/35/1434146935.db2.gz DZAAPFPZULXAIA-IBGZPJMESA-N -1 1 385.489 3.382 20 30 GGEDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cccc(OCCCC#N)c3)cc21 ZINC000265318642 1434217757 /nfs/dbraw/zinc/21/77/57/1434217757.db2.gz UPZUVHCCLWPJIL-UHFFFAOYSA-N -1 1 399.472 3.079 20 30 GGEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc(C)o1 ZINC000267084124 1434406419 /nfs/dbraw/zinc/40/64/19/1434406419.db2.gz SSVZXNSZRUSRJA-ZDUSSCGKSA-N -1 1 388.367 3.145 20 30 GGEDMM CCN(CCC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000267435863 1434432746 /nfs/dbraw/zinc/43/27/46/1434432746.db2.gz XSHNUDBMCLDVPU-UHFFFAOYSA-N -1 1 389.452 3.311 20 30 GGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000267523307 1434443076 /nfs/dbraw/zinc/44/30/76/1434443076.db2.gz MZCMITYOXXOLHA-QGZVFWFLSA-N -1 1 389.452 3.295 20 30 GGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000267523300 1434443125 /nfs/dbraw/zinc/44/31/25/1434443125.db2.gz MZCMITYOXXOLHA-KRWDZBQOSA-N -1 1 389.452 3.295 20 30 GGEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000277518996 1435310005 /nfs/dbraw/zinc/31/00/05/1435310005.db2.gz LOPWDAPJOQLFSW-QGZVFWFLSA-N -1 1 379.464 3.026 20 30 GGEDMM COc1ccc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc1[N-]S(C)(=O)=O ZINC000279543819 1435511517 /nfs/dbraw/zinc/51/15/17/1435511517.db2.gz ARTUNCFSSHVOKR-UHFFFAOYSA-N -1 1 387.461 3.120 20 30 GGEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1)C(C)C ZINC000279835772 1435548911 /nfs/dbraw/zinc/54/89/11/1435548911.db2.gz CIFFBWCJIYULAO-UHFFFAOYSA-N -1 1 385.489 3.310 20 30 GGEDMM CCCN1c2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2CCC1=O ZINC000279839390 1435549488 /nfs/dbraw/zinc/54/94/88/1435549488.db2.gz CTGFOSGCOHXQHU-UHFFFAOYSA-N -1 1 383.473 3.243 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCCC2)c1 ZINC000280005887 1435575596 /nfs/dbraw/zinc/57/55/96/1435575596.db2.gz SNYYQIZWCSRJSB-UHFFFAOYSA-N -1 1 383.473 3.180 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000280013530 1435576683 /nfs/dbraw/zinc/57/66/83/1435576683.db2.gz UFFMXTIGURIWES-UHFFFAOYSA-N -1 1 397.500 3.108 20 30 GGEDMM C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000283444415 1435890200 /nfs/dbraw/zinc/89/02/00/1435890200.db2.gz ZAVAJODAMSKRPQ-CYBMUJFWSA-N -1 1 387.450 3.263 20 30 GGEDMM C=C(C)Cn1c(C2CCC2)nnc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000283684998 1435903458 /nfs/dbraw/zinc/90/34/58/1435903458.db2.gz SKAMWVQCDMCLPR-UHFFFAOYSA-N -1 1 385.434 3.017 20 30 GGEDMM C=CCOCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1C ZINC000735438218 1441438600 /nfs/dbraw/zinc/43/86/00/1441438600.db2.gz YDWBLEJKIQHHPS-UHFFFAOYSA-N -1 1 381.411 3.050 20 30 GGEDMM COc1cc(NC(C)=O)ccc1C(C)=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826180493 1441478201 /nfs/dbraw/zinc/47/82/01/1441478201.db2.gz JVMNXGURPYKQLJ-UHFFFAOYSA-N -1 1 399.842 3.323 20 30 GGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc2c(c(Cl)c1)OCO2 ZINC000823504635 1441503648 /nfs/dbraw/zinc/50/36/48/1441503648.db2.gz SHNOVXDCEXPHKY-XGICHPGQSA-N -1 1 380.791 3.461 20 30 GGEDMM CC(=O)Nc1ccc(O)c(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000823999961 1441515509 /nfs/dbraw/zinc/51/55/09/1441515509.db2.gz OVODEASYNBIFAL-UHFFFAOYSA-N -1 1 385.815 3.020 20 30 GGEDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000737293053 1441518096 /nfs/dbraw/zinc/51/80/96/1441518096.db2.gz ZDOSSLSGAQQZAL-UHFFFAOYSA-N -1 1 375.436 3.489 20 30 GGEDMM Cn1cc(CN(CCC#N)CC(C)(C)C)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360793 1441550998 /nfs/dbraw/zinc/55/09/98/1441550998.db2.gz YIRCRALZHFSQSS-UHFFFAOYSA-N -1 1 378.484 3.029 20 30 GGEDMM Cc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)cc1Br ZINC000826286726 1441561034 /nfs/dbraw/zinc/56/10/34/1441561034.db2.gz NROFKCRIXYRKAW-UHFFFAOYSA-N -1 1 390.245 3.495 20 30 GGEDMM N#Cc1ccc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(Cl)c1 ZINC000822833879 1441594074 /nfs/dbraw/zinc/59/40/74/1441594074.db2.gz YXRAMSHWKUSHSV-UHFFFAOYSA-N -1 1 378.783 3.054 20 30 GGEDMM N#Cc1cnc2ccccc2c1N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822842529 1441597453 /nfs/dbraw/zinc/59/74/53/1441597453.db2.gz MOUICAAOBWSKNG-UHFFFAOYSA-N -1 1 396.458 3.003 20 30 GGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825323303 1441601461 /nfs/dbraw/zinc/60/14/61/1441601461.db2.gz SGJNHNCUBVMBCY-UHFFFAOYSA-N -1 1 380.839 3.444 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000823909881 1441613851 /nfs/dbraw/zinc/61/38/51/1441613851.db2.gz SMJLOQQZIAAVCM-MOPGFXCFSA-N -1 1 398.511 3.158 20 30 GGEDMM CCCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1OCC ZINC000736490869 1441620906 /nfs/dbraw/zinc/62/09/06/1441620906.db2.gz RVNNRUFDEFDEEQ-UHFFFAOYSA-N -1 1 392.419 3.178 20 30 GGEDMM CC(C)(C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735572494 1441621534 /nfs/dbraw/zinc/62/15/34/1441621534.db2.gz WXUKXNJCVARLOD-UHFFFAOYSA-N -1 1 382.811 3.344 20 30 GGEDMM COC[C@H](C#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826147766 1441672361 /nfs/dbraw/zinc/67/23/61/1441672361.db2.gz LKRDTBQJWFCEHM-AWEZNQCLSA-N -1 1 399.794 3.008 20 30 GGEDMM COc1ccc(Cl)cc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737096931 1441678815 /nfs/dbraw/zinc/67/88/15/1441678815.db2.gz FSLVMBSUIGMSIF-SNAWJCMRSA-N -1 1 380.795 3.073 20 30 GGEDMM C#CCOCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823850784 1441688228 /nfs/dbraw/zinc/68/82/28/1441688228.db2.gz TXMNJGAGEWNNHM-UHFFFAOYSA-N -1 1 395.850 3.093 20 30 GGEDMM Cc1c(C(C)N=Nc2ncccc2Cl)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735451340 1441694516 /nfs/dbraw/zinc/69/45/16/1441694516.db2.gz YEJIXFUAYGDJTO-UHFFFAOYSA-N -1 1 393.842 3.245 20 30 GGEDMM Cn1cc(C=C2CCc3c(O)cccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359422 1441709110 /nfs/dbraw/zinc/70/91/10/1441709110.db2.gz GPZTXAZGMMEFNF-PTNGSMBKSA-N -1 1 398.426 3.185 20 30 GGEDMM Fc1ccc(NN=Cc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)nc1 ZINC000737656138 1441710754 /nfs/dbraw/zinc/71/07/54/1441710754.db2.gz KCMMEZOQNSLCQL-UHFFFAOYSA-N -1 1 389.394 3.426 20 30 GGEDMM N#C[C@@H](C(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1nc2cc(F)ccc2s1 ZINC000737671986 1441749093 /nfs/dbraw/zinc/74/90/93/1441749093.db2.gz DMVUHBKOPLVADE-ZDUSSCGKSA-N -1 1 378.392 3.034 20 30 GGEDMM CCN1CC(=Cc2ccccc2C#N)C(=O)C(=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000825444131 1441753215 /nfs/dbraw/zinc/75/32/15/1441753215.db2.gz JHVKTHYKPTVYRR-UHWBUFEVSA-N -1 1 396.454 3.110 20 30 GGEDMM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403198 1441789507 /nfs/dbraw/zinc/78/95/07/1441789507.db2.gz MGJSFMRZESNRJB-ALCCZGGFSA-N -1 1 378.392 3.420 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824207186 1441792153 /nfs/dbraw/zinc/79/21/53/1441792153.db2.gz RIRGXSDQVBEHAI-GOSISDBHSA-N -1 1 395.394 3.024 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc3c(c2)CCO3)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360023 1441816246 /nfs/dbraw/zinc/81/62/46/1441816246.db2.gz VQEGOCQHVIHOLE-SOFGYWHQSA-N -1 1 398.426 3.098 20 30 GGEDMM N#Cc1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737704820 1441838945 /nfs/dbraw/zinc/83/89/45/1441838945.db2.gz KPHSXHYNQFKZSB-LJQANCHMSA-N -1 1 388.431 3.377 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735977748 1441842336 /nfs/dbraw/zinc/84/23/36/1441842336.db2.gz XGKZNVIABXLOJW-ZDUSSCGKSA-N -1 1 393.476 3.312 20 30 GGEDMM C[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1cccc(C#N)c1 ZINC000820450596 1441859015 /nfs/dbraw/zinc/85/90/15/1441859015.db2.gz NMRWCJICBWFDRU-LLVKDONJSA-N -1 1 386.375 3.368 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000819744127 1441869416 /nfs/dbraw/zinc/86/94/16/1441869416.db2.gz XISGNSTZEZDJHY-UGKGYDQZSA-N -1 1 388.475 3.295 20 30 GGEDMM CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000736308435 1441974750 /nfs/dbraw/zinc/97/47/50/1441974750.db2.gz DJSBVWJXDDGYSP-MRXNPFEDSA-N -1 1 391.435 3.178 20 30 GGEDMM COc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1OC ZINC000737127973 1441993345 /nfs/dbraw/zinc/99/33/45/1441993345.db2.gz AAAQPHCLZCINHS-UHFFFAOYSA-N -1 1 392.341 3.349 20 30 GGEDMM CN(CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825888142 1442007177 /nfs/dbraw/zinc/00/71/77/1442007177.db2.gz OERWXEWECSPYTO-UHFFFAOYSA-N -1 1 387.365 3.249 20 30 GGEDMM CN(CC#Cc1ccc(OC(F)(F)F)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825888142 1442007179 /nfs/dbraw/zinc/00/71/79/1442007179.db2.gz OERWXEWECSPYTO-UHFFFAOYSA-N -1 1 387.365 3.249 20 30 GGEDMM O=C1c2ccc(Br)cc2OC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823503364 1442013434 /nfs/dbraw/zinc/01/34/34/1442013434.db2.gz DWQJGXMIZFIASX-WDZFZDKYSA-N -1 1 375.207 3.307 20 30 GGEDMM Cc1cccc2c1ncc(C#N)c2N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826304717 1442038012 /nfs/dbraw/zinc/03/80/12/1442038012.db2.gz VVNINHSRIOOVKH-LJQANCHMSA-N -1 1 397.442 3.173 20 30 GGEDMM Cn1cnc2cc(C=NNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)ccc21 ZINC000826365265 1442048807 /nfs/dbraw/zinc/04/88/07/1442048807.db2.gz HCBZDYFWMZIBEP-UHFFFAOYSA-N -1 1 386.341 3.218 20 30 GGEDMM Cc1cc(F)ccc1NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826268972 1442063490 /nfs/dbraw/zinc/06/34/90/1442063490.db2.gz WASUXEWYFHRTAT-UHFFFAOYSA-N -1 1 376.399 3.161 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc(OCCCC#N)c2)o1 ZINC000735657934 1442073155 /nfs/dbraw/zinc/07/31/55/1442073155.db2.gz YGALJJUKAHPEDB-UHFFFAOYSA-N -1 1 394.439 3.281 20 30 GGEDMM Cc1ccc(Br)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000822225288 1442078817 /nfs/dbraw/zinc/07/88/17/1442078817.db2.gz WTJYXJPOUBVREN-UHFFFAOYSA-N -1 1 383.209 3.062 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000822135457 1442098041 /nfs/dbraw/zinc/09/80/41/1442098041.db2.gz AVZPXJFMSGYWAY-CYBMUJFWSA-N -1 1 376.420 3.199 20 30 GGEDMM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820882332 1442121858 /nfs/dbraw/zinc/12/18/58/1442121858.db2.gz PJPSKZWLEVYENG-XHDPSFHLSA-N -1 1 394.460 3.403 20 30 GGEDMM CCC[C@H](C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821009426 1442141031 /nfs/dbraw/zinc/14/10/31/1442141031.db2.gz RCIAEBGRGQXAQS-MRXNPFEDSA-N -1 1 376.420 3.390 20 30 GGEDMM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C#Cc1ccccc1 ZINC000822211741 1442145820 /nfs/dbraw/zinc/14/58/20/1442145820.db2.gz MPSCQWYQIXZZAQ-UHFFFAOYSA-N -1 1 396.410 3.353 20 30 GGEDMM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1OC ZINC000737083736 1442170719 /nfs/dbraw/zinc/17/07/19/1442170719.db2.gz UTNYAGSJKOYURQ-UHFFFAOYSA-N -1 1 392.341 3.349 20 30 GGEDMM C#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)cn1 ZINC000735389695 1442173735 /nfs/dbraw/zinc/17/37/35/1442173735.db2.gz GRHZFFUBQKIBJB-UHFFFAOYSA-N -1 1 396.410 3.074 20 30 GGEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822936918 1442194003 /nfs/dbraw/zinc/19/40/03/1442194003.db2.gz YDVNFNWWGZQOCR-FMIVXFBMSA-N -1 1 398.344 3.494 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C(F)F ZINC000826243647 1442209007 /nfs/dbraw/zinc/20/90/07/1442209007.db2.gz PNPDXYOZNODVPQ-CYBMUJFWSA-N -1 1 393.357 3.410 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c[nH]c2cccc(C)c12 ZINC000735420760 1442214895 /nfs/dbraw/zinc/21/48/95/1442214895.db2.gz SRRSBGURVWZODK-UHFFFAOYSA-N -1 1 386.459 3.414 20 30 GGEDMM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000826185305 1442239873 /nfs/dbraw/zinc/23/98/73/1442239873.db2.gz GPJCOVPWGQAEJZ-HNNXBMFYSA-N -1 1 377.408 3.042 20 30 GGEDMM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(CCC#N)c1ccccc1 ZINC000736194320 1442241511 /nfs/dbraw/zinc/24/15/11/1442241511.db2.gz ZVCPJZRHBFOWHS-CQSZACIVSA-N -1 1 378.461 3.294 20 30 GGEDMM COC[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826147767 1442245506 /nfs/dbraw/zinc/24/55/06/1442245506.db2.gz LKRDTBQJWFCEHM-CQSZACIVSA-N -1 1 399.794 3.008 20 30 GGEDMM N#CC1(c2ccc(C(=O)N3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cc2)CC1 ZINC000826380137 1442245523 /nfs/dbraw/zinc/24/55/23/1442245523.db2.gz OPBAMCNNFICRBZ-UHFFFAOYSA-N -1 1 396.454 3.351 20 30 GGEDMM CC(C)COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735838499 1442254545 /nfs/dbraw/zinc/25/45/45/1442254545.db2.gz RNDXZEVSGNIPGM-TWGQIWQCSA-N -1 1 388.431 3.445 20 30 GGEDMM C[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ncc(-c2ccccc2)o1 ZINC000736193862 1442282055 /nfs/dbraw/zinc/28/20/55/1442282055.db2.gz UTRADCUZOXZJOF-SNVBAGLBSA-N -1 1 390.432 3.224 20 30 GGEDMM Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737464665 1442320926 /nfs/dbraw/zinc/32/09/26/1442320926.db2.gz TXJBJXRIACCIQQ-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000826252440 1442364043 /nfs/dbraw/zinc/36/40/43/1442364043.db2.gz CXBCMKCJAAAHCN-IBGZPJMESA-N -1 1 391.431 3.194 20 30 GGEDMM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cc1ccccc1CC#N ZINC000825609450 1442378436 /nfs/dbraw/zinc/37/84/36/1442378436.db2.gz MEPZPZLBIGJRNR-UHFFFAOYSA-N -1 1 397.822 3.133 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822801866 1442384629 /nfs/dbraw/zinc/38/46/29/1442384629.db2.gz PTAZDYDIUXRBNJ-OKLSWEBGSA-N -1 1 384.443 3.178 20 30 GGEDMM N#Cc1cc(Cl)ccc1N1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737706787 1442402371 /nfs/dbraw/zinc/40/23/71/1442402371.db2.gz ZMKLRNPAGYAEGY-UHFFFAOYSA-N -1 1 380.839 3.440 20 30 GGEDMM C#Cc1cccc(N(C)C(=O)c2cc(C3CC3)nc(SC)c2-c2nnn[n-]2)c1 ZINC000735391105 1442413713 /nfs/dbraw/zinc/41/37/13/1442413713.db2.gz LTYCWZNCXHEGDU-UHFFFAOYSA-N -1 1 390.472 3.119 20 30 GGEDMM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000736821435 1442426275 /nfs/dbraw/zinc/42/62/75/1442426275.db2.gz URSZWSNOXJTBNU-UHFFFAOYSA-N -1 1 399.361 3.004 20 30 GGEDMM CC(C)c1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CO2 ZINC000735927796 1442439301 /nfs/dbraw/zinc/43/93/01/1442439301.db2.gz BTWGLKBFZKIPLS-CHHVJCJISA-N -1 1 386.415 3.297 20 30 GGEDMM CC(C)CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000820081488 1442452321 /nfs/dbraw/zinc/45/23/21/1442452321.db2.gz IPFIJECUCGDTEH-UHFFFAOYSA-N -1 1 382.374 3.319 20 30 GGEDMM N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)cc1 ZINC000822833618 1442468262 /nfs/dbraw/zinc/46/82/62/1442468262.db2.gz SRMVPOKAYMMPMH-UHFFFAOYSA-N -1 1 384.355 3.145 20 30 GGEDMM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000736184260 1442492883 /nfs/dbraw/zinc/49/28/83/1442492883.db2.gz XDFAGZJKPKLDLQ-ZDUSSCGKSA-N -1 1 376.420 3.268 20 30 GGEDMM Cn1cc(C=CC(=O)c2cc(F)ccc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359893 1443086321 /nfs/dbraw/zinc/08/63/21/1443086321.db2.gz SFUAVQBTDZMOHB-RMKNXTFCSA-N -1 1 392.369 3.442 20 30 GGEDMM N#Cc1ccc(CN(Cc2cccc(F)c2)Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826385133 1443086267 /nfs/dbraw/zinc/08/62/67/1443086267.db2.gz YPFXEONPZQUCII-UHFFFAOYSA-N -1 1 399.433 3.475 20 30 GGEDMM Cc1c(Cl)cnc(NCCSCc2ccccc2C#N)c1-c1nnn[n-]1 ZINC000826240369 1443087001 /nfs/dbraw/zinc/08/70/01/1443087001.db2.gz PCIGHIOXSDBXDE-UHFFFAOYSA-N -1 1 385.884 3.441 20 30 GGEDMM Cc1csc([C@H](C#N)C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000826320611 1443116968 /nfs/dbraw/zinc/11/69/68/1443116968.db2.gz XEHALIVMLNVZCS-SECBINFHSA-N -1 1 390.881 3.254 20 30 GGEDMM C=CCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000735436499 1443119053 /nfs/dbraw/zinc/11/90/53/1443119053.db2.gz LKCCNTMTUQWVBA-MDZDMXLPSA-N -1 1 375.432 3.384 20 30 GGEDMM C[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(CNc2ncccc2C#N)cc1 ZINC000824671082 1443181297 /nfs/dbraw/zinc/18/12/97/1443181297.db2.gz WOFVFLWCMOFXCV-CQSZACIVSA-N -1 1 397.446 3.314 20 30 GGEDMM CC(C)[C@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735689719 1443188528 /nfs/dbraw/zinc/18/85/28/1443188528.db2.gz AODDWTCDXMIDEK-HNNXBMFYSA-N -1 1 380.383 3.076 20 30 GGEDMM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cn1 ZINC000736844732 1443244579 /nfs/dbraw/zinc/24/45/79/1443244579.db2.gz XHRHQSPEEBAAHD-UHFFFAOYSA-N -1 1 396.414 3.154 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N[C@@H](C#N)C(C)C)cc1 ZINC000822135412 1443246775 /nfs/dbraw/zinc/24/67/75/1443246775.db2.gz ABCWFYLIHQWOBU-KRWDZBQOSA-N -1 1 376.420 3.245 20 30 GGEDMM CC(=NNc1ccc2n[nH]cc2c1)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000823958303 1443260439 /nfs/dbraw/zinc/26/04/39/1443260439.db2.gz IDOWEWYQNGEWAM-UHFFFAOYSA-N -1 1 398.434 3.073 20 30 GGEDMM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826213564 1443293174 /nfs/dbraw/zinc/29/31/74/1443293174.db2.gz BNKSLXKJCZPEIW-VURMDHGXSA-N -1 1 390.378 3.301 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1OCCOC ZINC000823914168 1443307429 /nfs/dbraw/zinc/30/74/29/1443307429.db2.gz CBYXALJJTYBNSY-UHFFFAOYSA-N -1 1 379.464 3.080 20 30 GGEDMM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000822655644 1443317466 /nfs/dbraw/zinc/31/74/66/1443317466.db2.gz RBVLOAHUDLZZLI-UHFFFAOYSA-N -1 1 385.387 3.121 20 30 GGEDMM N#Cc1cc(NC(=O)COc2cc(Cl)cc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000822823630 1443334690 /nfs/dbraw/zinc/33/46/90/1443334690.db2.gz VEXMSZPJFBYJAO-UHFFFAOYSA-N -1 1 389.202 3.063 20 30 GGEDMM C=CCc1ccc(OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(OC)c1 ZINC000819758600 1443336735 /nfs/dbraw/zinc/33/67/35/1443336735.db2.gz AOAJERIGGZBXMW-UHFFFAOYSA-N -1 1 390.403 3.233 20 30 GGEDMM O=[N+]([O-])c1ccc(-c2ccc(C=NNCc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000823634836 1443389403 /nfs/dbraw/zinc/38/94/03/1443389403.db2.gz NCGRWQDWZYXFGD-UHFFFAOYSA-N -1 1 389.375 3.159 20 30 GGEDMM CC1(C#N)CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000824779973 1443392803 /nfs/dbraw/zinc/39/28/03/1443392803.db2.gz YSGFNVCUGMQEPV-UHFFFAOYSA-N -1 1 388.431 3.425 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)n([C@H](C)CC)n1 ZINC000823914784 1443395065 /nfs/dbraw/zinc/39/50/65/1443395065.db2.gz NNNVJIIPGBJQSQ-CQSZACIVSA-N -1 1 379.468 3.171 20 30 GGEDMM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(C#N)c1 ZINC000820373435 1443412008 /nfs/dbraw/zinc/41/20/08/1443412008.db2.gz HLWNTOCZZUQBEA-SNVBAGLBSA-N -1 1 399.361 3.222 20 30 GGEDMM N#CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)CCC1 ZINC000822802065 1443414908 /nfs/dbraw/zinc/41/49/08/1443414908.db2.gz UUZABTWUKSMMNQ-UHFFFAOYSA-N -1 1 378.367 3.430 20 30 GGEDMM Oc1ccc(Br)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826510704 1443416446 /nfs/dbraw/zinc/41/64/46/1443416446.db2.gz GSIHAJAAYWMYMJ-UHFFFAOYSA-N -1 1 393.632 3.434 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1cc(F)ccc1F ZINC000819745626 1443457282 /nfs/dbraw/zinc/45/72/82/1443457282.db2.gz MPYFGHOONHWYFF-UHFFFAOYSA-N -1 1 398.417 3.085 20 30 GGEDMM C=C(C)COc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735402581 1443489621 /nfs/dbraw/zinc/48/96/21/1443489621.db2.gz XZLHXZRNFOMKFI-UHFFFAOYSA-N -1 1 382.399 3.282 20 30 GGEDMM N#Cc1cccc(OCCNc2ccccc2Oc2ncccc2-c2nnn[n-]2)c1 ZINC000737729976 1443499167 /nfs/dbraw/zinc/49/91/67/1443499167.db2.gz BIAVLJAUZSEXRO-UHFFFAOYSA-N -1 1 399.414 3.417 20 30 GGEDMM N#C[C@H]1CCC[C@H]1NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000822806725 1443508905 /nfs/dbraw/zinc/50/89/05/1443508905.db2.gz SBOFAYOHVBFBNZ-CZUORRHYSA-N -1 1 390.472 3.440 20 30 GGEDMM Fc1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1Br ZINC000826373962 1443527372 /nfs/dbraw/zinc/52/73/72/1443527372.db2.gz GWPMRFXVGARTJI-UHFFFAOYSA-N -1 1 396.611 3.263 20 30 GGEDMM CCCOc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000821134042 1443546109 /nfs/dbraw/zinc/54/61/09/1443546109.db2.gz LNELUNVOHPIHGK-UHFFFAOYSA-N -1 1 376.420 3.098 20 30 GGEDMM CCCCCCCCCN(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821049302 1443575510 /nfs/dbraw/zinc/57/55/10/1443575510.db2.gz KJSFFIBYWRZPAN-UHFFFAOYSA-N -1 1 386.500 3.323 20 30 GGEDMM CN(C(=O)CSCc1ccc(C#N)cc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821570705 1443601466 /nfs/dbraw/zinc/60/14/66/1443601466.db2.gz HWJIDBIERSQAOR-UHFFFAOYSA-N -1 1 398.879 3.288 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@H](OCC)C(C)C ZINC000819743639 1443601833 /nfs/dbraw/zinc/60/18/33/1443601833.db2.gz MZFQCDFWJFZXRG-SFHVURJKSA-N -1 1 386.500 3.016 20 30 GGEDMM Cc1c(C(=O)C=Cc2coc(-c3ccccc3)n2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016338 1443619142 /nfs/dbraw/zinc/61/91/42/1443619142.db2.gz XUMKRLOKZLLAFQ-MDZDMXLPSA-N -1 1 386.415 3.474 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000826359996 1443646087 /nfs/dbraw/zinc/64/60/87/1443646087.db2.gz UXEPZSBVHWYFPL-ZHACJKMWSA-N -1 1 381.399 3.035 20 30 GGEDMM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000736192264 1443704171 /nfs/dbraw/zinc/70/41/71/1443704171.db2.gz LSYLGQFQTAKRDR-ZDUSSCGKSA-N -1 1 396.451 3.433 20 30 GGEDMM Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)n2)cc1 ZINC000826273865 1443717697 /nfs/dbraw/zinc/71/76/97/1443717697.db2.gz XQXYYBKXIKUEES-GFCCVEGCSA-N -1 1 375.417 3.117 20 30 GGEDMM CN(C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1)C1(C#N)CCCCC1 ZINC000825820504 1443719882 /nfs/dbraw/zinc/71/98/82/1443719882.db2.gz IGOPIKQGJXUYSE-UHFFFAOYSA-N -1 1 390.900 3.297 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000826245952 1443719990 /nfs/dbraw/zinc/71/99/90/1443719990.db2.gz NJEZNDYCLAXXAI-HNNXBMFYSA-N -1 1 387.230 3.477 20 30 GGEDMM C[C@@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736128103 1443723438 /nfs/dbraw/zinc/72/34/38/1443723438.db2.gz VHAXYPOVHPIYBA-SNVBAGLBSA-N -1 1 383.868 3.439 20 30 GGEDMM Cc1oc(NC(=O)CN(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)c(C#N)c1C ZINC000826341545 1443754046 /nfs/dbraw/zinc/75/40/46/1443754046.db2.gz KEFIGIBEJFEDHO-UHFFFAOYSA-N -1 1 393.451 3.049 20 30 GGEDMM N#CC1CCN(C(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1 ZINC000737678054 1443762514 /nfs/dbraw/zinc/76/25/14/1443762514.db2.gz GCDBHBWOUPQFJA-UHFFFAOYSA-N -1 1 392.394 3.174 20 30 GGEDMM CC(C)(C#N)CNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000824059427 1443774064 /nfs/dbraw/zinc/77/40/64/1443774064.db2.gz UPYUPBZBOFRPJL-UHFFFAOYSA-N -1 1 380.383 3.078 20 30 GGEDMM N#CC1(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)CCC1 ZINC000737678140 1443777409 /nfs/dbraw/zinc/77/74/09/1443777409.db2.gz GZZAMNFDCJRAIV-UHFFFAOYSA-N -1 1 394.822 3.488 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(N(C)C)c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737204021 1443789715 /nfs/dbraw/zinc/78/97/15/1443789715.db2.gz XJYIUBCEWITLBN-CLFYSBASSA-N -1 1 380.427 3.024 20 30 GGEDMM C[C@@H](C#N)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735503397 1443791149 /nfs/dbraw/zinc/79/11/49/1443791149.db2.gz KHBPFQPOYXPTRN-LBPRGKRZSA-N -1 1 380.383 3.030 20 30 GGEDMM C=CCN(C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(C)C ZINC000735416512 1443798958 /nfs/dbraw/zinc/79/89/58/1443798958.db2.gz MKJJEOOEGHKCGU-UHFFFAOYSA-N -1 1 377.448 3.482 20 30 GGEDMM Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)s2)o1 ZINC000737288983 1443802434 /nfs/dbraw/zinc/80/24/34/1443802434.db2.gz RLDPMOUEEXJUSM-UHFFFAOYSA-N -1 1 391.416 3.324 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000735436903 1443815395 /nfs/dbraw/zinc/81/53/95/1443815395.db2.gz SZPIOQRCQGBOKK-WEVVVXLNSA-N -1 1 395.394 3.231 20 30 GGEDMM C=CCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc(OC)c1O ZINC000823937298 1443822205 /nfs/dbraw/zinc/82/22/05/1443822205.db2.gz QNACUNKUZMTIHM-VMPITWQZSA-N -1 1 380.379 3.345 20 30 GGEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(Cl)c1OC ZINC000826178820 1443822663 /nfs/dbraw/zinc/82/26/63/1443822663.db2.gz NXMMBKMQQWIDGS-ARJAWSKDSA-N -1 1 376.825 3.495 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(C#N)cc2F)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822015840 1443839886 /nfs/dbraw/zinc/83/98/86/1443839886.db2.gz PUSIWTXXUGESKV-TWGQIWQCSA-N -1 1 399.389 3.268 20 30 GGEDMM C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824489561 1443844595 /nfs/dbraw/zinc/84/45/95/1443844595.db2.gz LLJSNLCKILCPLU-OAHLLOKOSA-N -1 1 399.458 3.298 20 30 GGEDMM CCN(CCC#N)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821207891 1443846756 /nfs/dbraw/zinc/84/67/56/1443846756.db2.gz XHNVNUHRPPFKTN-UHFFFAOYSA-N -1 1 378.461 3.394 20 30 GGEDMM C[C@@H](Sc1ccccc1C#N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820555252 1443860722 /nfs/dbraw/zinc/86/07/22/1443860722.db2.gz HWFMGVSJXUAJNV-SNVBAGLBSA-N -1 1 396.501 3.408 20 30 GGEDMM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000822659165 1443876982 /nfs/dbraw/zinc/87/69/82/1443876982.db2.gz GXIYNKWNIVXTSU-UHFFFAOYSA-N -1 1 384.399 3.101 20 30 GGEDMM N#C[C@@H](C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccncc2)cs1 ZINC000737673235 1443877581 /nfs/dbraw/zinc/87/75/81/1443877581.db2.gz XMTIYIVQJYFZOX-KJPDOMRESA-N -1 1 399.439 3.275 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)c1nccs1 ZINC000735418143 1443892526 /nfs/dbraw/zinc/89/25/26/1443892526.db2.gz BZJKWOWKCXNPBU-OAHLLOKOSA-N -1 1 383.481 3.172 20 30 GGEDMM C[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1cccc(C#N)c1 ZINC000824489401 1443912052 /nfs/dbraw/zinc/91/20/52/1443912052.db2.gz KMWSJWLZBWNTDS-OAHLLOKOSA-N -1 1 399.458 3.298 20 30 GGEDMM Cc1ccc(OC(F)F)c(CN=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)c1 ZINC000822259363 1443942723 /nfs/dbraw/zinc/94/27/23/1443942723.db2.gz WHGBGXGZYKJYOH-UHFFFAOYSA-N -1 1 391.382 3.409 20 30 GGEDMM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)S1 ZINC000822362465 1443947945 /nfs/dbraw/zinc/94/79/45/1443947945.db2.gz UTMLDKZUXCPELQ-DHDCSXOGSA-N -1 1 380.408 3.206 20 30 GGEDMM CCOc1c(Cl)cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OC ZINC000736627866 1443965243 /nfs/dbraw/zinc/96/52/43/1443965243.db2.gz ONSZNAOXZUZKOF-UHFFFAOYSA-N -1 1 398.810 3.051 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)nnn1-c1ccc(C)cc1 ZINC000822225215 1444018238 /nfs/dbraw/zinc/01/82/38/1444018238.db2.gz SNSWFCHEEVPYGL-BQYQJAHWSA-N -1 1 377.433 3.022 20 30 GGEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000824135558 1444018377 /nfs/dbraw/zinc/01/83/77/1444018377.db2.gz GJTFCCXVDWDPEI-MRXNPFEDSA-N -1 1 396.401 3.437 20 30 GGEDMM CC(C)(C)C[N@H+](CCC#N)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735602912 1446082087 /nfs/dbraw/zinc/08/20/87/1446082087.db2.gz RTNFDZZSEHOUHY-UHFFFAOYSA-N -1 1 389.891 3.110 20 30 GGEDMM CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735602912 1446082092 /nfs/dbraw/zinc/08/20/92/1446082092.db2.gz RTNFDZZSEHOUHY-UHFFFAOYSA-N -1 1 389.891 3.110 20 30 GGEDMM CC(C)(C)CN(CCC#N)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735602912 1446082095 /nfs/dbraw/zinc/08/20/95/1446082095.db2.gz RTNFDZZSEHOUHY-UHFFFAOYSA-N -1 1 389.891 3.110 20 30 GGEDMM CC(C)(C)CN(CCC#N)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735602912 1446082097 /nfs/dbraw/zinc/08/20/97/1446082097.db2.gz RTNFDZZSEHOUHY-UHFFFAOYSA-N -1 1 389.891 3.110 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824033802 1446132704 /nfs/dbraw/zinc/13/27/04/1446132704.db2.gz BFIBGQHJPUCGCF-OLZOCXBDSA-N -1 1 377.408 3.040 20 30 GGEDMM Fc1cccc2c1SCCC2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826377888 1446142519 /nfs/dbraw/zinc/14/25/19/1446142519.db2.gz KXQKCOKYNYSQLM-UHFFFAOYSA-N -1 1 375.820 3.366 20 30 GGEDMM C=C(C)CN(CC)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735397687 1446152925 /nfs/dbraw/zinc/15/29/25/1446152925.db2.gz CABCZLIKYNFIOY-UHFFFAOYSA-N -1 1 377.448 3.484 20 30 GGEDMM N#CC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)CCC1 ZINC000737675237 1446171295 /nfs/dbraw/zinc/17/12/95/1446171295.db2.gz OIXFTYZABHJKPY-UHFFFAOYSA-N -1 1 392.394 3.217 20 30 GGEDMM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000737057779 1446177847 /nfs/dbraw/zinc/17/78/47/1446177847.db2.gz JHZSAVWSUGTITF-UHFFFAOYSA-N -1 1 391.435 3.189 20 30 GGEDMM C=CC[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000735409948 1446196377 /nfs/dbraw/zinc/19/63/77/1446196377.db2.gz POWFUMKQEHELRC-IBGZPJMESA-N -1 1 392.463 3.244 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cnc(-c3ccccn3)s2)o1 ZINC000820108748 1446211815 /nfs/dbraw/zinc/21/18/15/1446211815.db2.gz QRHYFVKRLHOKFS-UHFFFAOYSA-N -1 1 395.452 3.018 20 30 GGEDMM Clc1cc2c(c(Cl)c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CO2 ZINC000826350810 1446213216 /nfs/dbraw/zinc/21/32/16/1446213216.db2.gz MDQHFQKBHXOYQX-UHFFFAOYSA-N -1 1 396.625 3.431 20 30 GGEDMM Clc1cc2c(c(Cl)c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CO2 ZINC000826350810 1446213220 /nfs/dbraw/zinc/21/32/20/1446213220.db2.gz MDQHFQKBHXOYQX-UHFFFAOYSA-N -1 1 396.625 3.431 20 30 GGEDMM Clc1cc2c(c(Cl)c1)C(=NNc1cc(-c3nn[n-]n3)cc(Cl)n1)CO2 ZINC000826350810 1446213223 /nfs/dbraw/zinc/21/32/23/1446213223.db2.gz MDQHFQKBHXOYQX-UHFFFAOYSA-N -1 1 396.625 3.431 20 30 GGEDMM C(=NN=C1c2ccccc2-c2ccccc21)c1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000735401187 1446221866 /nfs/dbraw/zinc/22/18/66/1446221866.db2.gz YXRQGQQDUCRTQX-UHFFFAOYSA-N -1 1 390.410 3.366 20 30 GGEDMM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000738358953 1446226041 /nfs/dbraw/zinc/22/60/41/1446226041.db2.gz GFDVPAJVUBNMRQ-UHFFFAOYSA-N -1 1 377.286 3.240 20 30 GGEDMM Cc1nnc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c(C#N)c1C ZINC000737533614 1446226949 /nfs/dbraw/zinc/22/69/49/1446226949.db2.gz OGIGPUHDODULCT-UHFFFAOYSA-N -1 1 388.460 3.486 20 30 GGEDMM N#CCCCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826381508 1446231049 /nfs/dbraw/zinc/23/10/49/1446231049.db2.gz OJVNNMHZNPQWLQ-UHFFFAOYSA-N -1 1 375.436 3.027 20 30 GGEDMM Cc1cc(C(=O)N(C[C@H](C)C#N)C2CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826257842 1446250373 /nfs/dbraw/zinc/25/03/73/1446250373.db2.gz QEGGPPCIDNUPOX-CYBMUJFWSA-N -1 1 389.463 3.039 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CSc2ccccc21 ZINC000735420966 1446266903 /nfs/dbraw/zinc/26/69/03/1446266903.db2.gz WAOSUQLMDNQIPV-KRWDZBQOSA-N -1 1 392.488 3.411 20 30 GGEDMM N#Cc1cc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1F ZINC000826384116 1446277151 /nfs/dbraw/zinc/27/71/51/1446277151.db2.gz HMLBTWCQKLQLIM-UHFFFAOYSA-N -1 1 389.394 3.199 20 30 GGEDMM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCSCc1ccccc1 ZINC000826383454 1446285034 /nfs/dbraw/zinc/28/50/34/1446285034.db2.gz BFJFQUCMPVEXJI-UHFFFAOYSA-N -1 1 383.506 3.131 20 30 GGEDMM C=CCN(Cc1cnn(Cc2ccccc2)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914161 1446331241 /nfs/dbraw/zinc/33/12/41/1446331241.db2.gz BXJTXYNUNVCTMI-UHFFFAOYSA-N -1 1 385.475 3.300 20 30 GGEDMM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736326958 1446342020 /nfs/dbraw/zinc/34/20/20/1446342020.db2.gz JUVNZXBHLLULHB-CYBMUJFWSA-N -1 1 376.420 3.269 20 30 GGEDMM C[C@H](NC(=O)NCCCC#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824500139 1446395265 /nfs/dbraw/zinc/39/52/65/1446395265.db2.gz UIYKXQRNJLSYKF-AWEZNQCLSA-N -1 1 375.436 3.198 20 30 GGEDMM CCN(C(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825367413 1446398561 /nfs/dbraw/zinc/39/85/61/1446398561.db2.gz PRFNJWBRNLXRRG-JXMROGBWSA-N -1 1 378.823 3.458 20 30 GGEDMM C[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000736155169 1446413650 /nfs/dbraw/zinc/41/36/50/1446413650.db2.gz IXPSJWZIIUGOJX-ZDUSSCGKSA-N -1 1 379.445 3.276 20 30 GGEDMM O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)CSc2ccc(F)cc21 ZINC000738288704 1446440140 /nfs/dbraw/zinc/44/01/40/1446440140.db2.gz DUTOXTKGRMDLPR-WZUFQYTHSA-N -1 1 378.392 3.026 20 30 GGEDMM N#Cc1ccnc(Sc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000826387717 1446447042 /nfs/dbraw/zinc/44/70/42/1446447042.db2.gz NAHFQUQYRRGSGA-UHFFFAOYSA-N -1 1 393.310 3.212 20 30 GGEDMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820937920 1446459832 /nfs/dbraw/zinc/45/98/32/1446459832.db2.gz FHMMOMUSYTXHGG-OAHLLOKOSA-N -1 1 382.811 3.188 20 30 GGEDMM N#Cc1ccccc1CSCCNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737727236 1446459948 /nfs/dbraw/zinc/45/99/48/1446459948.db2.gz HMSDZMIZKJRSRY-UHFFFAOYSA-N -1 1 387.472 3.054 20 30 GGEDMM N#CC1(COC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CC1 ZINC000826379885 1446521583 /nfs/dbraw/zinc/52/15/83/1446521583.db2.gz GBYKSPRKAMEPRP-UHFFFAOYSA-N -1 1 379.351 3.259 20 30 GGEDMM N#CC1(c2ccc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3OC(F)F)cc2)CC1 ZINC000826379923 1446533814 /nfs/dbraw/zinc/53/38/14/1446533814.db2.gz GZPOMONHLCIDEX-UHFFFAOYSA-N -1 1 396.357 3.276 20 30 GGEDMM Oc1ccc(C=NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c(O)c1O ZINC000738398572 1446575552 /nfs/dbraw/zinc/57/55/52/1446575552.db2.gz XESWWJNDDCXTEV-KEBDBYFISA-N -1 1 393.428 3.331 20 30 GGEDMM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1cccc(OCCCC#N)c1 ZINC000737062434 1446683973 /nfs/dbraw/zinc/68/39/73/1446683973.db2.gz LZXNXTPGQBTXJO-UHFFFAOYSA-N -1 1 393.407 3.202 20 30 GGEDMM C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736180386 1446685996 /nfs/dbraw/zinc/68/59/96/1446685996.db2.gz HRKLTSWVLOJXIB-CYBMUJFWSA-N -1 1 390.447 3.442 20 30 GGEDMM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826360011 1446693853 /nfs/dbraw/zinc/69/38/53/1446693853.db2.gz VHBGRVHWTOHXQG-KTKRTIGZSA-N -1 1 381.399 3.035 20 30 GGEDMM Cn1c(Cl)nc(Cl)c1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822600700 1446698597 /nfs/dbraw/zinc/69/85/97/1446698597.db2.gz PXUZZDJIUXEGKV-CLFYSBASSA-N -1 1 375.219 3.120 20 30 GGEDMM N#Cc1ccc(NC(=O)c2csc(-c3ccc(F)cc3)n2)cc1-c1nn[n-]n1 ZINC000737718368 1446746440 /nfs/dbraw/zinc/74/64/40/1446746440.db2.gz IIVSTEUOLOEISO-UHFFFAOYSA-N -1 1 391.391 3.253 20 30 GGEDMM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(-c2ccccc2)n1 ZINC000826360112 1446748120 /nfs/dbraw/zinc/74/81/20/1446748120.db2.gz YAQUWLGIQUQHIU-FOWTUZBSSA-N -1 1 382.427 3.480 20 30 GGEDMM COc1c(C)cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1C ZINC000737023723 1446788299 /nfs/dbraw/zinc/78/82/99/1446788299.db2.gz MTMLFWRYIYUWQQ-BQYQJAHWSA-N -1 1 377.448 3.444 20 30 GGEDMM N#Cc1cccc(-c2csc(NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826386658 1446844517 /nfs/dbraw/zinc/84/45/17/1446844517.db2.gz NOZFENMZQBKQTB-UHFFFAOYSA-N -1 1 387.428 3.043 20 30 GGEDMM C=C[C@H](CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883345 1446901893 /nfs/dbraw/zinc/90/18/93/1446901893.db2.gz OYUIMHVKZVWXOE-OAHLLOKOSA-N -1 1 385.431 3.351 20 30 GGEDMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1Cl ZINC000737279736 1446904319 /nfs/dbraw/zinc/90/43/19/1446904319.db2.gz PVFXJRNLHUNXGA-NSHDSACASA-N -1 1 382.811 3.106 20 30 GGEDMM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000824135551 1446912877 /nfs/dbraw/zinc/91/28/77/1446912877.db2.gz GJTFCCXVDWDPEI-INIZCTEOSA-N -1 1 396.401 3.437 20 30 GGEDMM COc1ccccc1C=CC=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737147671 1446919440 /nfs/dbraw/zinc/91/94/40/1446919440.db2.gz NQZAFXXZLYWKAL-NVTNGAKFSA-N -1 1 375.432 3.384 20 30 GGEDMM C[C@@H]1CCc2c(sc(NC(=O)Cc3cccc(C#N)c3)c2-c2nn[n-]n2)C1 ZINC000820727870 1446927992 /nfs/dbraw/zinc/92/79/92/1446927992.db2.gz PXGGWFKFHZUUDO-LLVKDONJSA-N -1 1 378.461 3.106 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(Oc3cnccn3)cc2)o1 ZINC000820202302 1446980999 /nfs/dbraw/zinc/98/09/99/1446980999.db2.gz GLACZZRCYXHMOP-UHFFFAOYSA-N -1 1 391.395 3.006 20 30 GGEDMM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CO2 ZINC000821134579 1447029734 /nfs/dbraw/zinc/02/97/34/1447029734.db2.gz ZAHKPDTXGRDPSC-RIYZIHGNSA-N -1 1 380.379 3.453 20 30 GGEDMM C#CCSCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735387604 1447085931 /nfs/dbraw/zinc/08/59/31/1447085931.db2.gz BCLZKWFQVQFVAH-UHFFFAOYSA-N -1 1 394.460 3.147 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000824033801 1447119374 /nfs/dbraw/zinc/11/93/74/1447119374.db2.gz BFIBGQHJPUCGCF-CHWSQXEVSA-N -1 1 377.408 3.040 20 30 GGEDMM C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H](CCC)c2nnn[n-]2)s1 ZINC000819362900 1447164281 /nfs/dbraw/zinc/16/42/81/1447164281.db2.gz IDTXALVJYKDFIG-JTQLQIEISA-N -1 1 386.934 3.009 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000819744125 1447187400 /nfs/dbraw/zinc/18/74/00/1447187400.db2.gz XISGNSTZEZDJHY-KNQAVFIVSA-N -1 1 388.475 3.295 20 30 GGEDMM N#Cc1ccc(-c2ccn(Cc3ccc(-c4nn[n-]n4)cc3OC(F)F)n2)cc1 ZINC000822822936 1447201426 /nfs/dbraw/zinc/20/14/26/1447201426.db2.gz IRYKTFWJCLAULB-UHFFFAOYSA-N -1 1 393.357 3.252 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735502505 1447213362 /nfs/dbraw/zinc/21/33/62/1447213362.db2.gz FNHAALOLBNGGSZ-CYBMUJFWSA-N -1 1 394.460 3.136 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000826359995 1447234088 /nfs/dbraw/zinc/23/40/88/1447234088.db2.gz UXEPZSBVHWYFPL-KHPPLWFESA-N -1 1 381.399 3.035 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(OC)c(OCC)c1 ZINC000823915086 1447276670 /nfs/dbraw/zinc/27/66/70/1447276670.db2.gz RVEYPGMFRJELHC-UHFFFAOYSA-N -1 1 379.464 3.462 20 30 GGEDMM C[C@H](CCSc1ccccc1)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000820248966 1447333189 /nfs/dbraw/zinc/33/31/89/1447333189.db2.gz QACPSPSYEQFCNZ-LLVKDONJSA-N -1 1 383.506 3.379 20 30 GGEDMM N#Cc1cc(NC(=O)c2occc2COc2ccccc2)ccc1-c1nnn[n-]1 ZINC000737710032 1449009103 /nfs/dbraw/zinc/00/91/03/1449009103.db2.gz QHNGQGMOLNGHNN-UHFFFAOYSA-N -1 1 386.371 3.163 20 30 GGEDMM Cc1ccc(-c2nc(CN=Nc3oc(CC(C)C)nc3-c3nnn[n-]3)co2)cc1 ZINC000826273863 1449043984 /nfs/dbraw/zinc/04/39/84/1449043984.db2.gz XMCSSKCFCIGPLN-UHFFFAOYSA-N -1 1 392.423 3.463 20 30 GGEDMM CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825643770 1449052911 /nfs/dbraw/zinc/05/29/11/1449052911.db2.gz UDWXSFIYYHFWDE-DAXSKMNVSA-N -1 1 383.339 3.209 20 30 GGEDMM CC(C)c1csc([C@H](C#N)C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000820535785 1449063196 /nfs/dbraw/zinc/06/31/96/1449063196.db2.gz QSTVWYKYBQVTHE-WCQYABFASA-N -1 1 382.449 3.090 20 30 GGEDMM COc1ccc(C=CC(=O)c2cnn(-c3ccccc3)c2C)cc1-c1nnn[n-]1 ZINC000737081114 1449065366 /nfs/dbraw/zinc/06/53/66/1449065366.db2.gz KOBCFLKZKOYKSK-NTMALXAHSA-N -1 1 386.415 3.266 20 30 GGEDMM C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1cccs1 ZINC000823937009 1449066563 /nfs/dbraw/zinc/06/65/63/1449066563.db2.gz DWJIUEWBZCZUID-UHFFFAOYSA-N -1 1 382.478 3.060 20 30 GGEDMM COc1ccc(-c2n[nH]cc2C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821732871 1449084711 /nfs/dbraw/zinc/08/47/11/1449084711.db2.gz WFUPLQOIKGEOHV-PTNGSMBKSA-N -1 1 398.426 3.478 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccnc(OC3CCCCC3)c2)ccc1-c1nn[n-]n1 ZINC000826384465 1449100242 /nfs/dbraw/zinc/10/02/42/1449100242.db2.gz WNFXUQQRKJTEET-UHFFFAOYSA-N -1 1 389.419 3.097 20 30 GGEDMM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]2CCCO[C@@H]21 ZINC000820577298 1449189046 /nfs/dbraw/zinc/18/90/46/1449189046.db2.gz NRVYSCMZEGPIHV-FZMZJTMJSA-N -1 1 380.374 3.488 20 30 GGEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112459 1449224030 /nfs/dbraw/zinc/22/40/30/1449224030.db2.gz RSUIZPXKIMFVFX-OAHLLOKOSA-N -1 1 389.463 3.420 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822802013 1449263467 /nfs/dbraw/zinc/26/34/67/1449263467.db2.gz UDVHBXVOTBOKHI-IRXDYDNUSA-N -1 1 375.392 3.051 20 30 GGEDMM C=CCCCN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000735412769 1449288576 /nfs/dbraw/zinc/28/85/76/1449288576.db2.gz KNKFOVAHEQSFCW-ZDUSSCGKSA-N -1 1 388.541 3.422 20 30 GGEDMM C=CCCCN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735412769 1449288581 /nfs/dbraw/zinc/28/85/81/1449288581.db2.gz KNKFOVAHEQSFCW-ZDUSSCGKSA-N -1 1 388.541 3.422 20 30 GGEDMM Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826271685 1449304433 /nfs/dbraw/zinc/30/44/33/1449304433.db2.gz CLCSTCXMMYCUDF-UHFFFAOYSA-N -1 1 399.414 3.206 20 30 GGEDMM C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736136673 1449324205 /nfs/dbraw/zinc/32/42/05/1449324205.db2.gz GNGUYMUKTQDKOY-NSHDSACASA-N -1 1 386.375 3.368 20 30 GGEDMM C#CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735374993 1449327648 /nfs/dbraw/zinc/32/76/48/1449327648.db2.gz QTVLNYKOAHWEHT-UHFFFAOYSA-N -1 1 381.480 3.210 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc([N+](=O)[O-])cc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234360 1449329849 /nfs/dbraw/zinc/32/98/49/1449329849.db2.gz SDZOVDKCYPTSJN-FNORWQNLSA-N -1 1 398.810 3.381 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(N2CCOC2=O)cc1 ZINC000823958233 1449339732 /nfs/dbraw/zinc/33/97/32/1449339732.db2.gz GJUILBCUMJGYGC-UHFFFAOYSA-N -1 1 397.826 3.313 20 30 GGEDMM C#Cc1cccc(NC(=O)c2ccc(COc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000735391191 1449354848 /nfs/dbraw/zinc/35/48/48/1449354848.db2.gz OHQDHMVFZKKWRF-UHFFFAOYSA-N -1 1 385.383 3.272 20 30 GGEDMM Cn1c(CN=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc2ccccc21 ZINC000826355390 1449375733 /nfs/dbraw/zinc/37/57/33/1449375733.db2.gz XNXNHUGANVPJGZ-UHFFFAOYSA-N -1 1 386.341 3.218 20 30 GGEDMM Cn1c(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc2ccccc21 ZINC000826355390 1449375738 /nfs/dbraw/zinc/37/57/38/1449375738.db2.gz XNXNHUGANVPJGZ-UHFFFAOYSA-N -1 1 386.341 3.218 20 30 GGEDMM C#CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OCC ZINC000823856801 1449395392 /nfs/dbraw/zinc/39/53/92/1449395392.db2.gz YMJICWXDKZKRQX-WEVVVXLNSA-N -1 1 392.390 3.313 20 30 GGEDMM COCCOc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821693550 1449399205 /nfs/dbraw/zinc/39/92/05/1449399205.db2.gz DFAWYJQFIXWNAK-SSZFMOIBSA-N -1 1 376.416 3.104 20 30 GGEDMM C=C(C)[C@@H]1CC=C(COC(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)CC1 ZINC000819718264 1449416836 /nfs/dbraw/zinc/41/68/36/1449416836.db2.gz CLWVCRPSSONCNM-MRXNPFEDSA-N -1 1 397.479 3.363 20 30 GGEDMM C#CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000823837888 1449427151 /nfs/dbraw/zinc/42/71/51/1449427151.db2.gz IKCVVKASZNHYSJ-QGZVFWFLSA-N -1 1 385.387 3.500 20 30 GGEDMM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000822924222 1449440802 /nfs/dbraw/zinc/44/08/02/1449440802.db2.gz ZFBIWZOYGBKUFP-BQYQJAHWSA-N -1 1 378.342 3.431 20 30 GGEDMM Cc1cc(Br)cn2c(C=NNc3cccc(-c4nnn[n-]4)c3)cnc12 ZINC000826256288 1449443592 /nfs/dbraw/zinc/44/35/92/1449443592.db2.gz BNDRJTHWQIJFGK-UHFFFAOYSA-N -1 1 397.240 3.031 20 30 GGEDMM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1c(Cl)nc2ccccn21 ZINC000823953662 1449457737 /nfs/dbraw/zinc/45/77/37/1449457737.db2.gz KTPGONWLRSXSFR-UHFFFAOYSA-N -1 1 388.222 3.052 20 30 GGEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1c(Cl)nc2ccccn21 ZINC000823953662 1449457746 /nfs/dbraw/zinc/45/77/46/1449457746.db2.gz KTPGONWLRSXSFR-UHFFFAOYSA-N -1 1 388.222 3.052 20 30 GGEDMM CC(=NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1c(Cl)nc2ccccn21 ZINC000823953662 1449457755 /nfs/dbraw/zinc/45/77/55/1449457755.db2.gz KTPGONWLRSXSFR-UHFFFAOYSA-N -1 1 388.222 3.052 20 30 GGEDMM N#CCC1CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000826380620 1449485199 /nfs/dbraw/zinc/48/51/99/1449485199.db2.gz HVHDPVPJPSWKTA-UHFFFAOYSA-N -1 1 388.431 3.425 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccc(Cl)c3cccnc23)cc1-c1nn[n-]n1 ZINC000737718970 1449491498 /nfs/dbraw/zinc/49/14/98/1449491498.db2.gz OCHAXQKYRJNLDZ-UHFFFAOYSA-N -1 1 375.779 3.192 20 30 GGEDMM N#Cc1cc(NC(=O)C2(c3cccc(F)c3)CCCC2)ccc1-c1nnn[n-]1 ZINC000737705136 1449506543 /nfs/dbraw/zinc/50/65/43/1449506543.db2.gz NAZQWYJEDPANQU-UHFFFAOYSA-N -1 1 376.395 3.328 20 30 GGEDMM N#CC1(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CCOCC1 ZINC000826380133 1449510066 /nfs/dbraw/zinc/51/00/66/1449510066.db2.gz OLMKSWUHLRITQY-UHFFFAOYSA-N -1 1 389.415 3.011 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccc(CCC(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000826384153 1449526097 /nfs/dbraw/zinc/52/60/97/1449526097.db2.gz IVQXDFSKQUORIC-UHFFFAOYSA-N -1 1 386.337 3.486 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CNc1c(C)cccc1C ZINC000735421435 1449567357 /nfs/dbraw/zinc/56/73/57/1449567357.db2.gz ZPMFMDSPYRHNHK-UHFFFAOYSA-N -1 1 376.464 3.110 20 30 GGEDMM C=CCN(C(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000823903978 1449671842 /nfs/dbraw/zinc/67/18/42/1449671842.db2.gz PVOQSCVDDVVSJU-UHFFFAOYSA-N -1 1 375.432 3.236 20 30 GGEDMM C=CCSc1ccccc1NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000735442702 1449698881 /nfs/dbraw/zinc/69/88/81/1449698881.db2.gz IPZIUDNHUVCMAV-UHFFFAOYSA-N -1 1 385.424 3.301 20 30 GGEDMM C=CCOCCCC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819750982 1449723872 /nfs/dbraw/zinc/72/38/72/1449723872.db2.gz LFGUFNUOLOYEJG-OAHLLOKOSA-N -1 1 394.460 3.149 20 30 GGEDMM COc1ccc2oc(CN=Nc3oc(C(C)(C)C)nc3-c3nnn[n-]3)cc2c1 ZINC000826213815 1449735743 /nfs/dbraw/zinc/73/57/43/1449735743.db2.gz NSFYRZJDDWMUQH-UHFFFAOYSA-N -1 1 381.396 3.353 20 30 GGEDMM N#CCCCCS(=O)(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822806386 1449771628 /nfs/dbraw/zinc/77/16/28/1449771628.db2.gz MFMSMINNTFSHTC-UHFFFAOYSA-N -1 1 399.432 3.061 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(C)cc1Br ZINC000826260204 1449789419 /nfs/dbraw/zinc/78/94/19/1449789419.db2.gz ASEYGIPHSYWFDM-UHFFFAOYSA-N -1 1 397.236 3.370 20 30 GGEDMM CC(C)C[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735758274 1449797732 /nfs/dbraw/zinc/79/77/32/1449797732.db2.gz ZCGALDTZNLSSST-INIZCTEOSA-N -1 1 376.420 3.327 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC[C@H](C)c2cccc(Br)c2)o1 ZINC000822422580 1449828111 /nfs/dbraw/zinc/82/81/11/1449828111.db2.gz ADOKWUGQCQNDMJ-QMMMGPOBSA-N -1 1 376.218 3.127 20 30 GGEDMM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824753624 1449865420 /nfs/dbraw/zinc/86/54/20/1449865420.db2.gz FYXBDXOTFCYHDJ-HWPZZCPQSA-N -1 1 378.889 3.055 20 30 GGEDMM N#Cc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1C(F)(F)F ZINC000822829808 1449883184 /nfs/dbraw/zinc/88/31/84/1449883184.db2.gz KHCKORHKHKFRSK-UHFFFAOYSA-N -1 1 386.337 3.328 20 30 GGEDMM C=CC1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000735402717 1449916342 /nfs/dbraw/zinc/91/63/42/1449916342.db2.gz HZBYTSYLGNNANV-UHFFFAOYSA-N -1 1 389.459 3.484 20 30 GGEDMM COCC(=NNc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000736966493 1449921951 /nfs/dbraw/zinc/92/19/51/1449921951.db2.gz RVJXXLHANQLVFO-UHFFFAOYSA-N -1 1 376.342 3.348 20 30 GGEDMM N#Cc1ccc(-c2csc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822822880 1449934580 /nfs/dbraw/zinc/93/45/80/1449934580.db2.gz GFZDORISIGPIET-UHFFFAOYSA-N -1 1 387.428 3.043 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cc(Cl)ccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000822829811 1449990645 /nfs/dbraw/zinc/99/06/45/1449990645.db2.gz KKSHWSWHSUEBOP-UHFFFAOYSA-N -1 1 390.737 3.245 20 30 GGEDMM N#Cc1cc(NC(=O)CSc2nc3ccccc3s2)ccc1-c1nn[n-]n1 ZINC000737709413 1449993672 /nfs/dbraw/zinc/99/36/72/1449993672.db2.gz NWQHVOYXPQAVCJ-UHFFFAOYSA-N -1 1 393.457 3.079 20 30 GGEDMM C#CCN(CC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000819698404 1450025331 /nfs/dbraw/zinc/02/53/31/1450025331.db2.gz YPLOOSGOVAKXEX-UHFFFAOYSA-N -1 1 394.410 3.072 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnn(C(C)C)c1 ZINC000735450902 1450040687 /nfs/dbraw/zinc/04/06/87/1450040687.db2.gz JFJKAVXXDZWKKJ-UHFFFAOYSA-N -1 1 378.362 3.499 20 30 GGEDMM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1csc(COc2ccccc2)n1 ZINC000819718304 1450051376 /nfs/dbraw/zinc/05/13/76/1450051376.db2.gz FJNJODYCYBMJQZ-UHFFFAOYSA-N -1 1 391.460 3.026 20 30 GGEDMM Cc1cccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)c1OC(F)F ZINC000826297379 1450060330 /nfs/dbraw/zinc/06/03/30/1450060330.db2.gz FNCLVZRJKZXHHU-UHFFFAOYSA-N -1 1 377.355 3.334 20 30 GGEDMM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(Cl)c1O ZINC000821713060 1450069706 /nfs/dbraw/zinc/06/97/06/1450069706.db2.gz QUFWGWQTBZQXDK-WUXMJOGZSA-N -1 1 382.807 3.447 20 30 GGEDMM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737560234 1450070285 /nfs/dbraw/zinc/07/02/85/1450070285.db2.gz DZHXQZZWSQMUAO-UHFFFAOYSA-N -1 1 377.389 3.016 20 30 GGEDMM C[C@H]1CCc2c(sc(NC(=O)Cc3ccccc3CC#N)c2-c2nn[n-]n2)C1 ZINC000824968470 1450106547 /nfs/dbraw/zinc/10/65/47/1450106547.db2.gz PHVRKDNAPXBPCB-LBPRGKRZSA-N -1 1 392.488 3.300 20 30 GGEDMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737343053 1450115583 /nfs/dbraw/zinc/11/55/83/1450115583.db2.gz LTORTMXSDMFXIA-NSHDSACASA-N -1 1 382.811 3.106 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)nc1 ZINC000737712822 1450125308 /nfs/dbraw/zinc/12/53/08/1450125308.db2.gz VFMGYOMZKJZJMB-UHFFFAOYSA-N -1 1 399.439 3.213 20 30 GGEDMM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccc(C#N)cc1 ZINC000736118659 1450226131 /nfs/dbraw/zinc/22/61/31/1450226131.db2.gz VDYJLRTURZXIRD-LBPRGKRZSA-N -1 1 378.440 3.178 20 30 GGEDMM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CO2 ZINC000825342722 1450230756 /nfs/dbraw/zinc/23/07/56/1450230756.db2.gz WUKMNVZHBZTPMA-MDWZMJQESA-N -1 1 380.379 3.453 20 30 GGEDMM Cc1cc(C#N)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC000826257033 1450233160 /nfs/dbraw/zinc/23/31/60/1450233160.db2.gz KUKUCZMHPYLBRG-JTQLQIEISA-N -1 1 378.461 3.485 20 30 GGEDMM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCc2ccnc(C#N)c2)n1 ZINC000826262488 1450246360 /nfs/dbraw/zinc/24/63/60/1450246360.db2.gz QHMYXRBUKHBAEG-UHFFFAOYSA-N -1 1 377.355 3.148 20 30 GGEDMM C#CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)c1ccccc1 ZINC000823837323 1450257252 /nfs/dbraw/zinc/25/72/52/1450257252.db2.gz BLKZYNNEXBRSNL-HXUWFJFHSA-N -1 1 386.459 3.305 20 30 GGEDMM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(C#N)cc2OC(F)F)n1 ZINC000822427325 1450284076 /nfs/dbraw/zinc/28/40/76/1450284076.db2.gz JMFMCGCIERUZKS-UHFFFAOYSA-N -1 1 389.391 3.039 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C#N)c1ccc2ccccc2n1 ZINC000819992445 1450295596 /nfs/dbraw/zinc/29/55/96/1450295596.db2.gz XKCABYUQONNYMS-QGZVFWFLSA-N -1 1 398.426 3.449 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(OCC(F)F)cc2)o1 ZINC000735939175 1450296008 /nfs/dbraw/zinc/29/60/08/1450296008.db2.gz KNIQLQOWUVVJKX-UHFFFAOYSA-N -1 1 377.355 3.068 20 30 GGEDMM CC1(C)CSC(=NCc2ccccc2)N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820607126 1450299676 /nfs/dbraw/zinc/29/96/76/1450299676.db2.gz IYXZXCODLWHNCX-HTXNQAPBSA-N -1 1 398.517 3.452 20 30 GGEDMM Cn1cc(C=CC(=O)c2cc(F)ccc2F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359894 1450307579 /nfs/dbraw/zinc/30/75/79/1450307579.db2.gz SFUAVQBTDZMOHB-TWGQIWQCSA-N -1 1 392.369 3.442 20 30 GGEDMM CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000736183105 1450347170 /nfs/dbraw/zinc/34/71/70/1450347170.db2.gz RDQAHFXKNCZJHN-CYBMUJFWSA-N -1 1 376.420 3.268 20 30 GGEDMM CC1(C#N)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000824779051 1450362532 /nfs/dbraw/zinc/36/25/32/1450362532.db2.gz SHKDQOXLLSYHBK-UHFFFAOYSA-N -1 1 379.346 3.043 20 30 GGEDMM CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820232825 1450405348 /nfs/dbraw/zinc/40/53/48/1450405348.db2.gz HGWWGNLBHZPRSZ-MRXNPFEDSA-N -1 1 385.472 3.444 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(-n3ccnc3)cs2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234474 1450408704 /nfs/dbraw/zinc/40/87/04/1450408704.db2.gz YJVOKFCQKGZDPH-PLNGDYQASA-N -1 1 391.460 3.066 20 30 GGEDMM Fc1cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1Br ZINC000826372491 1450426624 /nfs/dbraw/zinc/42/66/24/1450426624.db2.gz ZAEPCXFLVVZCOW-UHFFFAOYSA-N -1 1 396.611 3.263 20 30 GGEDMM CCOc1c(Cl)cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821390464 1450458880 /nfs/dbraw/zinc/45/88/80/1450458880.db2.gz YAPNTTKKOJPGAR-UHFFFAOYSA-N -1 1 386.843 3.051 20 30 GGEDMM Cc1ccc2c(c1)OCCCC2N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000822279577 1450484797 /nfs/dbraw/zinc/48/47/97/1450484797.db2.gz BHFKXFRJNOWULY-UHFFFAOYSA-N -1 1 381.440 3.449 20 30 GGEDMM C#C[C@H]1CCCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC001573279253 946634999 /nfs/dbraw/zinc/63/49/99/946634999.db2.gz DYCYOQJSQPDESD-HNNXBMFYSA-N -1 1 391.406 3.426 20 30 GGEDMM C#C[C@H]1CCCCN1C(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC001573279253 946635005 /nfs/dbraw/zinc/63/50/05/946635005.db2.gz DYCYOQJSQPDESD-HNNXBMFYSA-N -1 1 391.406 3.426 20 30 GGEDMM C#CCN(C(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1)[C@@H]1CCCc2ccccc21 ZINC001573282968 946706253 /nfs/dbraw/zinc/70/62/53/946706253.db2.gz OEQQKNOZCWPZLQ-GOSISDBHSA-N -1 1 393.397 3.298 20 30 GGEDMM C#CCN(C(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1)[C@@H]1CCCc2ccccc21 ZINC001573282968 946706261 /nfs/dbraw/zinc/70/62/61/946706261.db2.gz OEQQKNOZCWPZLQ-GOSISDBHSA-N -1 1 393.397 3.298 20 30 GGEDMM C#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nnn[n-]3)s2)C(F)(F)F)cc1 ZINC001573290598 946907340 /nfs/dbraw/zinc/90/73/40/946907340.db2.gz MJMASDWAQOAVDT-CYBMUJFWSA-N -1 1 378.335 3.370 20 30 GGEDMM C#Cc1ccc([C@@H](OC(=O)c2ccc(-c3nn[n-]n3)s2)C(F)(F)F)cc1 ZINC001573290598 946907348 /nfs/dbraw/zinc/90/73/48/946907348.db2.gz MJMASDWAQOAVDT-CYBMUJFWSA-N -1 1 378.335 3.370 20 30 GGEDMM C=C1CCC(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC001573296719 947054524 /nfs/dbraw/zinc/05/45/24/947054524.db2.gz YKMMLTUJTGBKMO-UHFFFAOYSA-N -1 1 396.430 3.059 20 30 GGEDMM C=CCCCCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001573334598 947458965 /nfs/dbraw/zinc/45/89/65/947458965.db2.gz FQOOLVRVITWVBK-UHFFFAOYSA-N -1 1 398.446 3.450 20 30 GGEDMM C=CCn1cc2ccc(NC(=O)c3[nH]c4ccccc4c3-c3nn[n-]n3)cc2n1 ZINC001573351941 947624061 /nfs/dbraw/zinc/62/40/61/947624061.db2.gz XXAYEBCNDMYICY-UHFFFAOYSA-N -1 1 384.403 3.136 20 30 GGEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC001602781105 971521930 /nfs/dbraw/zinc/52/19/30/971521930.db2.gz RLWXVFZXTOCJIS-NRFANRHFSA-N -1 1 383.492 3.038 20 30 GGEDMM CC(C)(C(=O)Nc1nc(-c2nn[nH]n2)c(C#N)[n-]1)c1ccc(-c2ccccc2)cc1 ZINC001573788663 949206532 /nfs/dbraw/zinc/20/65/32/949206532.db2.gz RMLXVBLPKAVZDH-UHFFFAOYSA-N -1 1 398.430 3.045 20 30 GGEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC001588542266 958968743 /nfs/dbraw/zinc/96/87/43/958968743.db2.gz UWHSWEVRENHCSK-KRWDZBQOSA-N -1 1 383.370 3.244 20 30 GGEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(CN2CCCC2)c(C(F)(F)F)c1 ZINC001588542269 958969243 /nfs/dbraw/zinc/96/92/43/958969243.db2.gz UWHSWEVRENHCSK-QGZVFWFLSA-N -1 1 383.370 3.244 20 30 GGEDMM C#CCN(Cc1cc(C(=O)[O-])oc1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001573310987 962693058 /nfs/dbraw/zinc/69/30/58/962693058.db2.gz GHJLYHXHFDYHRR-UHFFFAOYSA-N -1 1 376.453 3.121 20 30 GGEDMM C[C@H](CC1(C#N)CCOCC1)NCc1ccc(C(=O)[O-])cc1Br ZINC001592458828 978174929 /nfs/dbraw/zinc/17/49/29/978174929.db2.gz GEXLYMRMSNJGQI-GFCCVEGCSA-N -1 1 381.270 3.336 20 30 GGEDMM C#CCOc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])cc1 ZINC000833366885 979171384 /nfs/dbraw/zinc/17/13/84/979171384.db2.gz KWWGMPDKZMCFGQ-FQEVSTJZSA-N -1 1 395.455 3.290 20 30 GGEDMM C#CCOc1cccc(Cl)c1CN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000905750315 981137960 /nfs/dbraw/zinc/13/79/60/981137960.db2.gz PTVBRYRSERDQJM-GFCCVEGCSA-N -1 1 376.865 3.496 20 30 GGEDMM CCCN(Cc1cccc(C(=O)[O-])c1C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001595900165 982950626 /nfs/dbraw/zinc/95/06/26/982950626.db2.gz QICLSVHTHFNBHO-INIZCTEOSA-N -1 1 387.480 3.478 20 30 GGEDMM CCN(CC)CC(=O)Nc1cccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001596260098 983673163 /nfs/dbraw/zinc/67/31/63/983673163.db2.gz ITLJOHQYLKZHDV-FQEVSTJZSA-N -1 1 380.448 3.076 20 30 GGEDMM C=CCOc1c(Br)cc(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1OCC ZINC001588868933 984436330 /nfs/dbraw/zinc/43/63/30/984436330.db2.gz ZWNQMMUKHFVXMC-VIKVFOODSA-N -1 1 396.281 3.175 20 30 GGEDMM C=CCOc1c(Br)cc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1OCC ZINC001588868933 984436333 /nfs/dbraw/zinc/43/63/33/984436333.db2.gz ZWNQMMUKHFVXMC-VIKVFOODSA-N -1 1 396.281 3.175 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C)cc(C(=O)[O-])c3)[nH]n2)c1C ZINC001588912646 984552314 /nfs/dbraw/zinc/55/23/14/984552314.db2.gz LQCAMMNNYLZDRT-UHFFFAOYSA-N -1 1 379.420 3.335 20 30 GGEDMM CC(=O)[C@@](C#N)(CCN1CC[C@@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020868 985008535 /nfs/dbraw/zinc/00/85/35/985008535.db2.gz GJVQOGNDTPKBTF-QRWLVFNGSA-N -1 1 383.473 3.071 20 30 GGEDMM CC(=O)[C@@](C#N)(CCN1CC[C@H](c2ncc(C(=O)[O-])s2)C1)c1ccccc1 ZINC001589020870 985008731 /nfs/dbraw/zinc/00/87/31/985008731.db2.gz GJVQOGNDTPKBTF-YWZLYKJASA-N -1 1 383.473 3.071 20 30 GGEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1C#N ZINC001599973037 986041523 /nfs/dbraw/zinc/04/15/23/986041523.db2.gz FPECVQHCNPZRFO-GCJKJVERSA-N -1 1 398.507 3.359 20 30 GGEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC001593188882 994105643 /nfs/dbraw/zinc/10/56/43/994105643.db2.gz BWIYZSHBEZICKS-SZNDQCEHSA-N -1 1 397.450 3.135 20 30 GGEDMM COc1cccc([C@@H](C(=O)[O-])N(C)CC[C@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646743 994435832 /nfs/dbraw/zinc/43/58/32/994435832.db2.gz FMHYXICTGAGPSD-UNMCSNQZSA-N -1 1 380.444 3.193 20 30 GGEDMM C[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC001593262800 994556996 /nfs/dbraw/zinc/55/69/96/994556996.db2.gz WLFBZEGHKAZYPG-VIFPVBQESA-N -1 1 378.841 3.046 20 30 GGEDMM C[C@](NCc1ccc(C#N)cc1OC(F)F)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292553 994678246 /nfs/dbraw/zinc/67/82/46/994678246.db2.gz NPZVTLSGZVJJFI-GOSISDBHSA-N -1 1 391.330 3.157 20 30 GGEDMM COC[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC001599174711 996820377 /nfs/dbraw/zinc/82/03/77/996820377.db2.gz XXUVPDUBUVICED-SJORKVTESA-N -1 1 389.249 3.424 20 30 GGEDMM COc1cc(C(C)=NNc2ccc(C(=O)[O-])c(Cl)c2)cc([N+](=O)[O-])c1O ZINC001599386760 996959917 /nfs/dbraw/zinc/95/99/17/996959917.db2.gz AQDDOPTUMSXDDK-UHFFFAOYSA-N -1 1 379.756 3.497 20 30 GGEDMM COc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1OCc1ccccc1 ZINC001599563392 998241816 /nfs/dbraw/zinc/24/18/16/998241816.db2.gz MKEXNKIIDJDRIH-UHFFFAOYSA-N -1 1 380.444 3.465 20 30 GGEDMM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(Cc1ccc(C)c(C#N)c1)CC2 ZINC001599465503 998352791 /nfs/dbraw/zinc/35/27/91/998352791.db2.gz KIRUNSIQSUFGOZ-IBGZPJMESA-N -1 1 380.444 3.458 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)CCc3ccco3)n2)n[n-]c1=S ZINC000023177052 519194022 /nfs/dbraw/zinc/19/40/22/519194022.db2.gz WRRWUUBGMWBIGG-UHFFFAOYSA-N -1 1 375.479 3.338 20 30 GGEDMM O=C(COc1ccc(F)cc1Br)Nc1n[n-]c(C(F)(F)F)n1 ZINC000036744362 527586791 /nfs/dbraw/zinc/58/67/91/527586791.db2.gz AEJVETYUEPKKHP-UHFFFAOYSA-N -1 1 383.099 3.392 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2I)s1 ZINC000230334466 565928535 /nfs/dbraw/zinc/92/85/35/565928535.db2.gz PZVYEXUNBHICQH-UHFFFAOYSA-N -1 1 390.227 3.025 20 30 GGEDMM Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000116712255 564214950 /nfs/dbraw/zinc/21/49/50/564214950.db2.gz GATKDOXRNLZGAW-QHCPKHFHSA-N -1 1 382.894 3.199 20 30 GGEDMM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000121028161 564349088 /nfs/dbraw/zinc/34/90/88/564349088.db2.gz NHRJOYISIXIQCG-UHFFFAOYSA-N -1 1 396.222 3.338 20 30 GGEDMM CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121532295 564372399 /nfs/dbraw/zinc/37/23/99/564372399.db2.gz WFVBNQHVVLYMFS-UHFFFAOYSA-N -1 1 377.853 3.071 20 30 GGEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1C ZINC000047585367 564523817 /nfs/dbraw/zinc/52/38/17/564523817.db2.gz VRBZFPCYHACDEC-UHFFFAOYSA-N -1 1 380.853 3.346 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000130291075 564676197 /nfs/dbraw/zinc/67/61/97/564676197.db2.gz CCZDZDKRJHMICM-UHFFFAOYSA-N -1 1 382.195 3.030 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1Br ZINC000063878678 564724198 /nfs/dbraw/zinc/72/41/98/564724198.db2.gz COBPNDIZIFDBJO-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM Cc1sc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)c(C#N)c1C ZINC000066963627 564780102 /nfs/dbraw/zinc/78/01/02/564780102.db2.gz DVLUYFNJDYSRLN-UHFFFAOYSA-N -1 1 395.531 3.335 20 30 GGEDMM CCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000068231151 564812539 /nfs/dbraw/zinc/81/25/39/564812539.db2.gz GJZBYYHNLJIPSO-UHFFFAOYSA-N -1 1 377.853 3.126 20 30 GGEDMM CCN(CC#N)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000068241739 564813101 /nfs/dbraw/zinc/81/31/01/564813101.db2.gz LGYWAGDNQXUYSE-UHFFFAOYSA-N -1 1 377.853 3.126 20 30 GGEDMM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1Cl ZINC000135373790 564829797 /nfs/dbraw/zinc/82/97/97/564829797.db2.gz QYUICLQIOFFVTO-UHFFFAOYSA-N -1 1 385.779 3.249 20 30 GGEDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc(C2CC2)no1 ZINC000069128404 564833576 /nfs/dbraw/zinc/83/35/76/564833576.db2.gz CLOGOUKUSWXOPI-CQSZACIVSA-N -1 1 380.857 3.148 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(C)c1 ZINC000153982753 565019989 /nfs/dbraw/zinc/01/99/89/565019989.db2.gz AKSAMEFGQMVQCN-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CSC)c2)c1 ZINC000109245528 565023184 /nfs/dbraw/zinc/02/31/84/565023184.db2.gz JNLBTGOKQIXFQJ-UHFFFAOYSA-N -1 1 376.503 3.266 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nc2C)n[n-]c1=S ZINC000113882504 565071201 /nfs/dbraw/zinc/07/12/01/565071201.db2.gz CGBIEQNRRICRER-MXWKQRLJSA-N -1 1 377.495 3.065 20 30 GGEDMM C=CCCc1noc([C@@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000297431747 565372114 /nfs/dbraw/zinc/37/21/14/565372114.db2.gz VKOJIEPBDABCRG-SNVBAGLBSA-N -1 1 375.372 3.247 20 30 GGEDMM COc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)ccc1F ZINC000188576830 565410499 /nfs/dbraw/zinc/41/04/99/565410499.db2.gz YIKWHFOYHNSEMH-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM Cc1ccc(I)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000380323756 565539960 /nfs/dbraw/zinc/53/99/60/565539960.db2.gz ZYBKVWHQRBBDEV-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Br)cc3)C2)cc1[O-] ZINC000191001819 565576505 /nfs/dbraw/zinc/57/65/05/565576505.db2.gz CCGYUPPYUKCSMB-QGZVFWFLSA-N -1 1 387.233 3.240 20 30 GGEDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000191171438 565586053 /nfs/dbraw/zinc/58/60/53/565586053.db2.gz BOSRLCPAHNKYTK-UHFFFAOYSA-N -1 1 379.781 3.123 20 30 GGEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c1 ZINC000319017293 565598383 /nfs/dbraw/zinc/59/83/83/565598383.db2.gz OUXHVBQFTMORPH-UHFFFAOYSA-N -1 1 379.235 3.324 20 30 GGEDMM N#Cc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1C(F)(F)F ZINC000325146429 565620207 /nfs/dbraw/zinc/62/02/07/565620207.db2.gz IJRORXOQSPNZNC-UHFFFAOYSA-N -1 1 376.337 3.138 20 30 GGEDMM O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(Br)c([O-])c1 ZINC000329365638 565664126 /nfs/dbraw/zinc/66/41/26/565664126.db2.gz IHNYOHNEPQMTJP-ZDUSSCGKSA-N -1 1 396.285 3.140 20 30 GGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cc1 ZINC000410365787 565679579 /nfs/dbraw/zinc/67/95/79/565679579.db2.gz ORNXPOXPFWWLGN-UHFFFAOYSA-N -1 1 377.853 3.041 20 30 GGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1 ZINC000410394203 565682343 /nfs/dbraw/zinc/68/23/43/565682343.db2.gz VTFGEUAZBJIYRW-UHFFFAOYSA-N -1 1 380.853 3.195 20 30 GGEDMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)c(=O)[n-]1 ZINC000330228178 565698558 /nfs/dbraw/zinc/69/85/58/565698558.db2.gz VGNWWPFWBILPCP-SJKOYZFVSA-N -1 1 383.539 3.156 20 30 GGEDMM COc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1Br ZINC000176704130 565795874 /nfs/dbraw/zinc/79/58/74/565795874.db2.gz OLORKGTWWCDTRF-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)ccc1Br ZINC000176722029 565798347 /nfs/dbraw/zinc/79/83/47/565798347.db2.gz YFISODFLBYGJEH-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM C=CCSCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000194508372 565819165 /nfs/dbraw/zinc/81/91/65/565819165.db2.gz WTCUGGDCSXLUAS-UHFFFAOYSA-N -1 1 376.503 3.136 20 30 GGEDMM C=CCSCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000194502926 565819192 /nfs/dbraw/zinc/81/91/92/565819192.db2.gz IFAGREGFNQAWGV-UHFFFAOYSA-N -1 1 376.503 3.136 20 30 GGEDMM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177623312 565863053 /nfs/dbraw/zinc/86/30/53/565863053.db2.gz BFZDTTFIXCKSEG-XMMPIXPASA-N -1 1 388.392 3.115 20 30 GGEDMM N#C[C@H](NC(=O)c1ccc(I)c([O-])c1)C1CCCCC1 ZINC000230900577 565931504 /nfs/dbraw/zinc/93/15/04/565931504.db2.gz TVXFFWWGEZKSQO-ZDUSSCGKSA-N -1 1 384.217 3.199 20 30 GGEDMM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000179669507 565998644 /nfs/dbraw/zinc/99/86/44/565998644.db2.gz WXAMDWUECSKKPW-UHFFFAOYSA-N -1 1 398.257 3.327 20 30 GGEDMM C=CCCS(=O)(=O)[N-]c1cc(Br)ccc1OCCOCC ZINC000180225961 566045220 /nfs/dbraw/zinc/04/52/20/566045220.db2.gz LWCGOKAETQWCTK-UHFFFAOYSA-N -1 1 378.288 3.182 20 30 GGEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000180756976 566086994 /nfs/dbraw/zinc/08/69/94/566086994.db2.gz SMALGWYWZNELRV-AWEZNQCLSA-N -1 1 376.306 3.418 20 30 GGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1CN(C)C(=O)c1cccs1 ZINC000416945192 566114470 /nfs/dbraw/zinc/11/44/70/566114470.db2.gz DVCVBMATGPOJHX-CQSZACIVSA-N -1 1 377.491 3.064 20 30 GGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1CN(C)C(=O)c1cccs1 ZINC000416945188 566114555 /nfs/dbraw/zinc/11/45/55/566114555.db2.gz DVCVBMATGPOJHX-AWEZNQCLSA-N -1 1 377.491 3.064 20 30 GGEDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000481985402 566273125 /nfs/dbraw/zinc/27/31/25/566273125.db2.gz PICWFBIGDIEKKN-UHFFFAOYSA-N -1 1 378.837 3.416 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc(C)c1C ZINC000484061511 566414765 /nfs/dbraw/zinc/41/47/65/566414765.db2.gz XDCGFSBEZHQYBN-UHFFFAOYSA-N -1 1 378.837 3.416 20 30 GGEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000537753566 566467967 /nfs/dbraw/zinc/46/79/67/566467967.db2.gz UKWQMZHWUBESRE-UHFFFAOYSA-N -1 1 380.298 3.347 20 30 GGEDMM C[C@H](CC#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000512009428 566504080 /nfs/dbraw/zinc/50/40/80/566504080.db2.gz MDBGNMVHZHNRBL-GFCCVEGCSA-N -1 1 377.853 3.173 20 30 GGEDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1C ZINC000538702442 566528967 /nfs/dbraw/zinc/52/89/67/566528967.db2.gz HACVOFZLDILTAJ-UHFFFAOYSA-N -1 1 380.853 3.346 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1Cl ZINC000603982958 566548181 /nfs/dbraw/zinc/54/81/81/566548181.db2.gz WLOCWDJEVNMCRY-UHFFFAOYSA-N -1 1 376.800 3.337 20 30 GGEDMM Cc1c(Br)cc(NS(=O)(=O)c2ccccc2C#N)cc1C(=O)[O-] ZINC000560010243 566584664 /nfs/dbraw/zinc/58/46/64/566584664.db2.gz DWWCFTJOPARWCD-UHFFFAOYSA-N -1 1 395.234 3.128 20 30 GGEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)C1 ZINC000425188043 566612903 /nfs/dbraw/zinc/61/29/03/566612903.db2.gz HVIHHVIHQXNUBJ-JGVFFNPUSA-N -1 1 381.654 3.212 20 30 GGEDMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1F ZINC000514639290 566658827 /nfs/dbraw/zinc/65/88/27/566658827.db2.gz XBFOYDLWGLLGCN-UHFFFAOYSA-N -1 1 386.763 3.077 20 30 GGEDMM COc1ccc(Br)cc1[C@H](NCc1cccc(C#N)c1)C(=O)[O-] ZINC000426738752 566725961 /nfs/dbraw/zinc/72/59/61/566725961.db2.gz YOHGJCGFWPCTNQ-INIZCTEOSA-N -1 1 375.222 3.245 20 30 GGEDMM Cc1cc(NS(=O)(=O)c2ccc(CC#N)cc2Cl)c2c([nH+]1)CCCC2 ZINC000580820893 566726319 /nfs/dbraw/zinc/72/63/19/566726319.db2.gz IUIMTMPSKNWOEL-UHFFFAOYSA-N -1 1 375.881 3.211 20 30 GGEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1Cl ZINC000427112759 566748663 /nfs/dbraw/zinc/74/86/63/566748663.db2.gz FESSYGOKYRVIDW-UHFFFAOYSA-N -1 1 384.816 3.177 20 30 GGEDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000427193626 566756361 /nfs/dbraw/zinc/75/63/61/566756361.db2.gz ULCWNFVYBYNXOI-UHFFFAOYSA-N -1 1 382.800 3.328 20 30 GGEDMM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)o1 ZINC000451242137 566781276 /nfs/dbraw/zinc/78/12/76/566781276.db2.gz MPOPFXSFJIQNNM-HNNXBMFYSA-N -1 1 382.869 3.227 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1ccc(CC#N)cc1Cl)c1nc(C(C)(C)C)no1 ZINC000451284974 566789750 /nfs/dbraw/zinc/78/97/50/566789750.db2.gz QGLVCPVZYBGYCY-JTQLQIEISA-N -1 1 382.873 3.126 20 30 GGEDMM CSc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C)OCCO2 ZINC000610123863 566807305 /nfs/dbraw/zinc/80/73/05/566807305.db2.gz MMTQUHSNSKAJHD-UHFFFAOYSA-N -1 1 376.459 3.161 20 30 GGEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000610192000 566813681 /nfs/dbraw/zinc/81/36/81/566813681.db2.gz QTZDTRXYCZANKB-UHFFFAOYSA-N -1 1 385.228 3.452 20 30 GGEDMM CC(=O)Nc1ccc(Br)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000563223347 566864839 /nfs/dbraw/zinc/86/48/39/566864839.db2.gz YZKKESCITQWRCY-UHFFFAOYSA-N -1 1 388.287 3.089 20 30 GGEDMM Cc1nc(C2([N-]S(=O)(=O)c3cccc(Cl)c3C#N)CCCCC2)no1 ZINC000611015342 566884339 /nfs/dbraw/zinc/88/43/39/566884339.db2.gz VYGIOVQYPYYLLC-UHFFFAOYSA-N -1 1 380.857 3.041 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)cc1Br ZINC000451821714 566887581 /nfs/dbraw/zinc/88/75/81/566887581.db2.gz HZYAGQPCJDJKQL-SECBINFHSA-N -1 1 397.216 3.174 20 30 GGEDMM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000611247424 566903244 /nfs/dbraw/zinc/90/32/44/566903244.db2.gz RVMUWEOXEYXJEG-VIFPVBQESA-N -1 1 383.670 3.458 20 30 GGEDMM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC000583835908 566987717 /nfs/dbraw/zinc/98/77/17/566987717.db2.gz YZNPMEYXKOOMAH-GFCCVEGCSA-N -1 1 386.392 3.038 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]CCc2cccs2)cc1Br ZINC000584686355 567061200 /nfs/dbraw/zinc/06/12/00/567061200.db2.gz RGZWZOPBTRGIAY-UHFFFAOYSA-N -1 1 389.271 3.042 20 30 GGEDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000473767797 567101331 /nfs/dbraw/zinc/10/13/31/567101331.db2.gz URTYFABIYNFLGN-UHFFFAOYSA-N -1 1 378.837 3.498 20 30 GGEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1I ZINC000589166340 567161223 /nfs/dbraw/zinc/16/12/23/567161223.db2.gz HPNLEWRMLLVBHE-UHFFFAOYSA-N -1 1 378.169 3.429 20 30 GGEDMM COc1ccc(Br)cc1CN(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589157828 567161533 /nfs/dbraw/zinc/16/15/33/567161533.db2.gz VJKASUIVAGEAPW-UHFFFAOYSA-N -1 1 375.222 3.307 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)c1 ZINC000589174435 567162101 /nfs/dbraw/zinc/16/21/01/567162101.db2.gz LCODXMCSIFJDTE-KRWDZBQOSA-N -1 1 387.233 3.240 20 30 GGEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)Oc1cccc(Br)c1 ZINC000589187078 567163002 /nfs/dbraw/zinc/16/30/02/567163002.db2.gz VFLOFTHCXZLPDE-NSHDSACASA-N -1 1 375.222 3.224 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)Nc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000589175152 567163320 /nfs/dbraw/zinc/16/33/20/567163320.db2.gz DOUQRTPSZVWPPW-UHFFFAOYSA-N -1 1 384.193 3.064 20 30 GGEDMM COc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000474386956 567166538 /nfs/dbraw/zinc/16/65/38/567166538.db2.gz GINGQOOHJLRUJX-UHFFFAOYSA-N -1 1 376.821 3.445 20 30 GGEDMM CC(C)Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)[nH]n1 ZINC000474429291 567169502 /nfs/dbraw/zinc/16/95/02/567169502.db2.gz FPLQWPDCDNXXJW-UHFFFAOYSA-N -1 1 383.271 3.043 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(C)c1O ZINC000432763488 567187441 /nfs/dbraw/zinc/18/74/41/567187441.db2.gz PKCKKDDCGIYCRM-UHFFFAOYSA-N -1 1 381.251 3.444 20 30 GGEDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432776296 567188317 /nfs/dbraw/zinc/18/83/17/567188317.db2.gz MPLGVCDSFZCJKR-UHFFFAOYSA-N -1 1 395.278 3.310 20 30 GGEDMM C=CCCCCCN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000566768239 567189150 /nfs/dbraw/zinc/18/91/50/567189150.db2.gz CZWVGVJUKKVDTG-UHFFFAOYSA-N -1 1 393.336 3.477 20 30 GGEDMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432776468 567189338 /nfs/dbraw/zinc/18/93/38/567189338.db2.gz OHDRVLSLHNDDMD-UHFFFAOYSA-N -1 1 381.251 3.268 20 30 GGEDMM CC#CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000498610656 567191158 /nfs/dbraw/zinc/19/11/58/567191158.db2.gz RIAOHAKHDBXTLZ-UHFFFAOYSA-N -1 1 376.865 3.284 20 30 GGEDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]n1 ZINC000432951409 567207658 /nfs/dbraw/zinc/20/76/58/567207658.db2.gz TVOKPTRCXCEZBD-UHFFFAOYSA-N -1 1 383.271 3.187 20 30 GGEDMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]n1 ZINC000432947532 567208325 /nfs/dbraw/zinc/20/83/25/567208325.db2.gz DKOUMKLIBNEAJQ-UHFFFAOYSA-N -1 1 383.271 3.043 20 30 GGEDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]n1 ZINC000432955466 567209101 /nfs/dbraw/zinc/20/91/01/567209101.db2.gz TTXCNBSGOBJHNJ-UHFFFAOYSA-N -1 1 397.298 3.433 20 30 GGEDMM Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc2n[nH]cc21 ZINC000499268131 567233990 /nfs/dbraw/zinc/23/39/90/567233990.db2.gz WMGXRQTXYNUTKP-UHFFFAOYSA-N -1 1 391.250 3.306 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(Br)c1 ZINC000475808460 567279034 /nfs/dbraw/zinc/27/90/34/567279034.db2.gz UBHZRCZMIRYHMA-UHFFFAOYSA-N -1 1 381.251 3.325 20 30 GGEDMM CC1(C)CCCN(C(=O)c2ccc(I)c([O-])c2)[C@@H]1C#N ZINC000434437163 567308906 /nfs/dbraw/zinc/30/89/06/567308906.db2.gz BSICXXZVKAAUTO-CYBMUJFWSA-N -1 1 384.217 3.151 20 30 GGEDMM COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000476429948 567323527 /nfs/dbraw/zinc/32/35/27/567323527.db2.gz POVJDYLJUZCSMB-UHFFFAOYSA-N -1 1 380.809 3.028 20 30 GGEDMM COc1ccc(Br)c(CN(C)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000617624123 567326795 /nfs/dbraw/zinc/32/67/95/567326795.db2.gz GYZJGTBKOCYZFV-UHFFFAOYSA-N -1 1 375.222 3.307 20 30 GGEDMM C=CC[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000617789078 567335235 /nfs/dbraw/zinc/33/52/35/567335235.db2.gz YATIXAFCGCZVEY-LBPRGKRZSA-N -1 1 391.320 3.086 20 30 GGEDMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)ccc1Cl ZINC000618087468 567355723 /nfs/dbraw/zinc/35/57/23/567355723.db2.gz PAPCVLMLGGMSAS-UHFFFAOYSA-N -1 1 378.837 3.498 20 30 GGEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1O ZINC000618959479 567427231 /nfs/dbraw/zinc/42/72/31/567427231.db2.gz YCKGQDQMJPXXMN-UHFFFAOYSA-N -1 1 381.251 3.444 20 30 GGEDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]n1 ZINC000618959181 567427755 /nfs/dbraw/zinc/42/77/55/567427755.db2.gz AGXPCWCROJQEGZ-UHFFFAOYSA-N -1 1 383.271 3.142 20 30 GGEDMM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000569846597 567437226 /nfs/dbraw/zinc/43/72/26/567437226.db2.gz UOOYLANPWNAWTL-HWPZZCPQSA-N -1 1 393.262 3.121 20 30 GGEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(Br)cc1[O-] ZINC000436632441 567438815 /nfs/dbraw/zinc/43/88/15/567438815.db2.gz ZIUZRJPOLGAYNW-UHFFFAOYSA-N -1 1 380.238 3.459 20 30 GGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(I)c2)c1 ZINC000619461229 567455961 /nfs/dbraw/zinc/45/59/61/567455961.db2.gz YNYHHZQTNYUDPU-UHFFFAOYSA-N -1 1 398.225 3.158 20 30 GGEDMM CCOC(=O)c1sc([N-]C(=O)c2nccnc2SCC)c(C#N)c1C ZINC000619525805 567462106 /nfs/dbraw/zinc/46/21/06/567462106.db2.gz ZJMKVNTYABVNIQ-UHFFFAOYSA-N -1 1 376.463 3.259 20 30 GGEDMM N#Cc1ccc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1[O-] ZINC000570237587 567469256 /nfs/dbraw/zinc/46/92/56/567469256.db2.gz IQKDFYJJKODRLF-UHFFFAOYSA-N -1 1 378.215 3.329 20 30 GGEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c1F ZINC000594576887 567487022 /nfs/dbraw/zinc/48/70/22/567487022.db2.gz HWQPHSNWOZNFSH-HWPZZCPQSA-N -1 1 388.848 3.016 20 30 GGEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c1F ZINC000594578561 567488908 /nfs/dbraw/zinc/48/89/08/567488908.db2.gz KPACIPKEVXTNON-CYBMUJFWSA-N -1 1 388.848 3.016 20 30 GGEDMM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000551386889 567502255 /nfs/dbraw/zinc/50/22/55/567502255.db2.gz YWBHRQPDAHFQAW-UHFFFAOYSA-N -1 1 385.228 3.452 20 30 GGEDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)c(Br)c1)C1CCCC1 ZINC000594729064 567504950 /nfs/dbraw/zinc/50/49/50/567504950.db2.gz UOVQZJKDTIRXBS-OAHLLOKOSA-N -1 1 387.299 3.268 20 30 GGEDMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000437929782 567515013 /nfs/dbraw/zinc/51/50/13/567515013.db2.gz BQHJREHQQNPOBQ-UHFFFAOYSA-N -1 1 385.228 3.452 20 30 GGEDMM COc1cc(C#N)ccc1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1 ZINC000530322616 567592018 /nfs/dbraw/zinc/59/20/18/567592018.db2.gz USDZHUIMMNBVBK-UHFFFAOYSA-N -1 1 380.809 3.028 20 30 GGEDMM C=C[C@H](CCC(=O)[O-])NCc1cc(Cl)ccc1I ZINC000596022377 567599142 /nfs/dbraw/zinc/59/91/42/567599142.db2.gz VWDLYFAKRIODSL-LLVKDONJSA-N -1 1 379.625 3.454 20 30 GGEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1cccc(C#N)c1 ZINC000506711811 567639935 /nfs/dbraw/zinc/63/99/35/567639935.db2.gz UXSAJNMIONELNV-UHFFFAOYSA-N -1 1 399.255 3.130 20 30 GGEDMM N#Cc1ccc(C(=O)NCCc2c[nH]c3cccc(Br)c23)cc1[O-] ZINC000572569849 567649636 /nfs/dbraw/zinc/64/96/36/567649636.db2.gz XVOQLMCUMUYJNQ-UHFFFAOYSA-N -1 1 384.233 3.480 20 30 GGEDMM CC[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553766073 567681920 /nfs/dbraw/zinc/68/19/20/567681920.db2.gz UDFWYEPAFQIDNV-GFCCVEGCSA-N -1 1 383.267 3.213 20 30 GGEDMM CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442897609 567715983 /nfs/dbraw/zinc/71/59/83/567715983.db2.gz IGKUTINRVXDJNT-UHFFFAOYSA-N -1 1 375.222 3.177 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)cc1Br ZINC000573560647 567721972 /nfs/dbraw/zinc/72/19/72/567721972.db2.gz LPFRLIVOFDPQRL-UWVGGRQHSA-N -1 1 379.226 3.019 20 30 GGEDMM N#Cc1sccc1N1CCN(C(=O)c2ccc(Br)cc2[O-])CC1 ZINC000597935792 567727049 /nfs/dbraw/zinc/72/70/49/567727049.db2.gz GNZDVYXVTGEJKC-UHFFFAOYSA-N -1 1 392.278 3.050 20 30 GGEDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(Br)c3)ccc2O1 ZINC000508099780 567729270 /nfs/dbraw/zinc/72/92/70/567729270.db2.gz ZDNFCBLVZDYJOG-SNVBAGLBSA-N -1 1 393.262 3.445 20 30 GGEDMM C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000443084713 567730145 /nfs/dbraw/zinc/73/01/45/567730145.db2.gz ZLIJPVXKZCXJPW-CQSZACIVSA-N -1 1 377.897 3.010 20 30 GGEDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)c1 ZINC000508134908 567732997 /nfs/dbraw/zinc/73/29/97/567732997.db2.gz VYSGGWJQNUUVGV-UHFFFAOYSA-N -1 1 381.251 3.268 20 30 GGEDMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]Cc1ccc(C#N)cc1 ZINC000508822719 567768107 /nfs/dbraw/zinc/76/81/07/567768107.db2.gz RBFBYGRCZSARLQ-UHFFFAOYSA-N -1 1 399.255 3.130 20 30 GGEDMM N#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C1CCCCC1 ZINC000574304796 567770994 /nfs/dbraw/zinc/77/09/94/567770994.db2.gz ZXQZQPBHWAPWIK-GFCCVEGCSA-N -1 1 375.263 3.339 20 30 GGEDMM N#C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCCCC1 ZINC000533690887 567781651 /nfs/dbraw/zinc/78/16/51/567781651.db2.gz WZLSDGMQNVPOSE-CYBMUJFWSA-N -1 1 375.263 3.339 20 30 GGEDMM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3occc3Br)sc2C1 ZINC000598888969 567798188 /nfs/dbraw/zinc/79/81/88/567798188.db2.gz QMYNENNFMQKFOQ-UHFFFAOYSA-N -1 1 394.250 3.132 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3cc(C)ccc3O)n2)n[n-]c1=S ZINC000012930040 570298269 /nfs/dbraw/zinc/29/82/69/570298269.db2.gz FSVVZDHHIRLMIW-UHFFFAOYSA-N -1 1 387.490 3.440 20 30 GGEDMM O=[N+]([O-])c1cc(Cl)cc(/C=N\CC2(N3CCOCC3)CCCCC2)c1[O-] ZINC000023425752 570323213 /nfs/dbraw/zinc/32/32/13/570323213.db2.gz RJGDSWGJEFYOCX-NDENLUEZSA-N -1 1 381.860 3.408 20 30 GGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NCc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000735851087 598824129 /nfs/dbraw/zinc/82/41/29/598824129.db2.gz LRURVMBNIKNGIZ-UHFFFAOYSA-N -1 1 390.791 3.061 20 30 GGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2cnc3ccsc3c2)o1 ZINC000735450677 598824244 /nfs/dbraw/zinc/82/42/44/598824244.db2.gz CEDJYWNREVCEAY-UHFFFAOYSA-N -1 1 382.453 3.499 20 30 GGEDMM N#Cc1ccc(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)cc1 ZINC000737709492 598834425 /nfs/dbraw/zinc/83/44/25/598834425.db2.gz LJLPGGZABYYBSI-UHFFFAOYSA-N -1 1 386.440 3.397 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)Cc2ccc(Br)cc2F)o1 ZINC000736054817 598491895 /nfs/dbraw/zinc/49/18/95/598491895.db2.gz ANISJTBZOIXZQR-UHFFFAOYSA-N -1 1 394.208 3.095 20 30 GGEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1c(Cl)nc2ccccn21 ZINC000735451165 599534123 /nfs/dbraw/zinc/53/41/23/599534123.db2.gz QXBKWBFSRAPFOP-UHFFFAOYSA-N -1 1 399.846 3.289 20 30 GGEDMM COc1ccc2c(c1)CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)CC2 ZINC000826212431 607783061 /nfs/dbraw/zinc/78/30/61/607783061.db2.gz QGCFGQUDMYUMKB-UHFFFAOYSA-N -1 1 381.440 3.118 20 30 GGEDMM N#CCCSc1ccccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000739076091 599839531 /nfs/dbraw/zinc/83/95/31/599839531.db2.gz RSEBYAIWBWQWAA-UHFFFAOYSA-N -1 1 380.422 3.330 20 30 GGEDMM N#Cc1ccc(N2CCN(Cc3c4ccccc4sc3C(=O)[O-])CC2)nc1 ZINC000739122225 599938225 /nfs/dbraw/zinc/93/82/25/599938225.db2.gz BPXWMVLXWJWQHZ-UHFFFAOYSA-N -1 1 378.457 3.188 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736545959 600148761 /nfs/dbraw/zinc/14/87/61/600148761.db2.gz UFJIITWMZBPLNO-AWEZNQCLSA-N -1 1 375.494 3.396 20 30 GGEDMM CS(=O)(=O)c1ccccc1N=NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000738141958 600181433 /nfs/dbraw/zinc/18/14/33/600181433.db2.gz LUYIESRKNRAKRO-UHFFFAOYSA-N -1 1 384.413 3.494 20 30 GGEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000738364600 600295614 /nfs/dbraw/zinc/29/56/14/600295614.db2.gz XLSLCNCAKXZWQJ-IEBWSBKVSA-N -1 1 383.492 3.125 20 30 GGEDMM N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)cc1 ZINC000739118561 600384829 /nfs/dbraw/zinc/38/48/29/600384829.db2.gz TUSXWYUVNOVTNK-UHFFFAOYSA-N -1 1 396.422 3.135 20 30 GGEDMM C=CCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O)c1ccccc1 ZINC000819734384 607440137 /nfs/dbraw/zinc/44/01/37/607440137.db2.gz NMXRMQAEQVAJKA-HNNXBMFYSA-N -1 1 396.476 3.127 20 30 GGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000739107361 600562962 /nfs/dbraw/zinc/56/29/62/600562962.db2.gz WUQHRFRXMNHRDO-LJQANCHMSA-N -1 1 387.842 3.294 20 30 GGEDMM COc1ccc(Cl)cc1CN1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000738014693 600563692 /nfs/dbraw/zinc/56/36/92/600563692.db2.gz XLXMSTJDXKTCRX-FQEVSTJZSA-N -1 1 399.878 3.164 20 30 GGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000739107745 600564900 /nfs/dbraw/zinc/56/49/00/600564900.db2.gz ZHDLQEBJHJSGBH-IBGZPJMESA-N -1 1 387.842 3.294 20 30 GGEDMM C[C@H](CN(Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1)C(=O)[O-] ZINC000827455923 600823529 /nfs/dbraw/zinc/82/35/29/600823529.db2.gz PDHKTPYJGNCFGC-OAHLLOKOSA-N -1 1 376.416 3.331 20 30 GGEDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000827368702 601127152 /nfs/dbraw/zinc/12/71/52/601127152.db2.gz HWHQXXPOKHVPDU-INIZCTEOSA-N -1 1 397.500 3.161 20 30 GGEDMM N#Cc1cccc([C@@H](NCc2cccc(NC(=O)c3ccccn3)c2)C(=O)[O-])c1 ZINC000833074874 601302593 /nfs/dbraw/zinc/30/25/93/601302593.db2.gz FTRSTJXJAUVGNS-HXUWFJFHSA-N -1 1 386.411 3.121 20 30 GGEDMM C[C@@H](c1ccc(F)cc1F)N1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827934527 601314839 /nfs/dbraw/zinc/31/48/39/601314839.db2.gz HAFWDIJOXBITHV-XOBRGWDASA-N -1 1 385.414 3.341 20 30 GGEDMM Cc1sc(NC(=O)CN(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c(C#N)c1C ZINC000833034472 601390137 /nfs/dbraw/zinc/39/01/37/601390137.db2.gz VGZWFWCAMHSFKV-CYBMUJFWSA-N -1 1 385.489 3.398 20 30 GGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@H](C(=O)[O-])[C@H](C)C2)c1C#N ZINC000832849968 601513607 /nfs/dbraw/zinc/51/36/07/601513607.db2.gz VFRUVHFSYYKARX-ACJLOTCBSA-N -1 1 386.496 3.073 20 30 GGEDMM CC(C)(C/N=C/c1cc(Br)cc(Br)c1O)C(=O)[O-] ZINC000826551133 601612622 /nfs/dbraw/zinc/61/26/22/601612622.db2.gz OOUWEDCGVZSMMO-PJQLUOCWSA-N -1 1 379.048 3.447 20 30 GGEDMM CCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1OC(F)F ZINC000830104680 601643329 /nfs/dbraw/zinc/64/33/29/601643329.db2.gz MHZFFUFDBRTIHT-INIZCTEOSA-N -1 1 376.359 3.474 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC(CCC(=O)[O-])CC2)ccc1Cl ZINC000832889880 601844565 /nfs/dbraw/zinc/84/45/65/601844565.db2.gz USDZYBMINRJWFK-UHFFFAOYSA-N -1 1 391.899 3.472 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN(C[C@@H](C)C(=O)[O-])C2CC2)ccc1Cl ZINC000832889287 601955799 /nfs/dbraw/zinc/95/57/99/601955799.db2.gz PNTMEZGLWYJETR-CQSZACIVSA-N -1 1 377.872 3.080 20 30 GGEDMM CCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000759165286 602307710 /nfs/dbraw/zinc/30/77/10/602307710.db2.gz GXMBIYXMWSBZNQ-UHFFFAOYSA-N -1 1 397.815 3.282 20 30 GGEDMM C=CCc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823936941 607575881 /nfs/dbraw/zinc/57/58/81/607575881.db2.gz AMFKYKUPIYKXIV-UHFFFAOYSA-N -1 1 376.825 3.016 20 30 GGEDMM C=CCOc1c(Br)cc(CN2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000263399398 604522197 /nfs/dbraw/zinc/52/21/97/604522197.db2.gz HPDJEMCOCDTQHL-AWEZNQCLSA-N -1 1 384.270 3.462 20 30 GGEDMM C=CCOc1c(Br)cc(CN2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000263434531 604524065 /nfs/dbraw/zinc/52/40/65/604524065.db2.gz TZUHSWKLJNVMQG-CYBMUJFWSA-N -1 1 384.270 3.319 20 30 GGEDMM CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCc1cccc(C(=O)[O-])c1C#N ZINC000833465586 604615026 /nfs/dbraw/zinc/61/50/26/604615026.db2.gz MRSWQUGLNPPUSE-FQEVSTJZSA-N -1 1 375.469 3.285 20 30 GGEDMM CC(=O)N(c1nc(C=NNc2ccc(C(=O)[O-])cn2)cs1)c1ccccc1 ZINC000763372537 604669181 /nfs/dbraw/zinc/66/91/81/604669181.db2.gz ZYIPRTTUFLRPFA-UHFFFAOYSA-N -1 1 381.417 3.367 20 30 GGEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832849598 604746646 /nfs/dbraw/zinc/74/66/46/604746646.db2.gz LBNPAKJMVHFXAB-ZDUSSCGKSA-N -1 1 386.496 3.215 20 30 GGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(CCOc3ccccc3Cl)CC2)cc1 ZINC000833071548 604790946 /nfs/dbraw/zinc/79/09/46/604790946.db2.gz IZJZOJJQVZGUJW-FQEVSTJZSA-N -1 1 399.878 3.034 20 30 GGEDMM C=CCc1cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)cc(OC)c1OC ZINC000833377835 604866081 /nfs/dbraw/zinc/86/60/81/604866081.db2.gz CBQOZIRPVKLWCB-UHFFFAOYSA-N -1 1 381.388 3.259 20 30 GGEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833411069 604951006 /nfs/dbraw/zinc/95/10/06/604951006.db2.gz LGZMBHOBGQWNKI-CHWSQXEVSA-N -1 1 389.521 3.258 20 30 GGEDMM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000779846092 605597105 /nfs/dbraw/zinc/59/71/05/605597105.db2.gz VQGSFSDECKGRMC-JTQLQIEISA-N -1 1 380.809 3.130 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833402047 605598083 /nfs/dbraw/zinc/59/80/83/605598083.db2.gz AASAVDIRGSUGMX-SNVBAGLBSA-N -1 1 380.809 3.130 20 30 GGEDMM Cc1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000822176316 606295419 /nfs/dbraw/zinc/29/54/19/606295419.db2.gz JCCUHLIXSPSTMX-UHFFFAOYSA-N -1 1 399.414 3.104 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000822541384 606355349 /nfs/dbraw/zinc/35/53/49/606355349.db2.gz OBPKLHKDQZKWRY-GFCCVEGCSA-N -1 1 388.387 3.349 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000822541384 606355351 /nfs/dbraw/zinc/35/53/51/606355351.db2.gz OBPKLHKDQZKWRY-GFCCVEGCSA-N -1 1 388.387 3.349 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CC(C)(C)Oc3cc(F)ccc32)o1 ZINC000820198119 606370347 /nfs/dbraw/zinc/37/03/47/606370347.db2.gz QRSRXGKROIHQHJ-UHFFFAOYSA-N -1 1 385.403 3.495 20 30 GGEDMM N#Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)s2)SC1=S ZINC000822842365 606394540 /nfs/dbraw/zinc/39/45/40/606394540.db2.gz FAPAWECDKBLNKJ-QPEQYQDCSA-N -1 1 396.482 3.206 20 30 GGEDMM CCC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC000820832438 607036004 /nfs/dbraw/zinc/03/60/04/607036004.db2.gz KAOKOOPVUFBIBQ-UHFFFAOYSA-N -1 1 382.472 3.444 20 30 GGEDMM CCCCc1nc(Cl)c(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)[nH]1 ZINC000825296396 607887964 /nfs/dbraw/zinc/88/79/64/607887964.db2.gz HCUPCUKVWYLVMH-UHFFFAOYSA-N -1 1 377.840 3.143 20 30 GGEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1nc2c(s1)CCCC2 ZINC000823961898 608053677 /nfs/dbraw/zinc/05/36/77/608053677.db2.gz BMHDHQOLSYSCBE-UHFFFAOYSA-N -1 1 386.485 3.324 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(OC(F)F)c1 ZINC000826190574 608092560 /nfs/dbraw/zinc/09/25/60/608092560.db2.gz GALNRGOCTHXMCT-HWKANZROSA-N -1 1 378.360 3.434 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(OC(F)F)c1 ZINC000826190574 608092561 /nfs/dbraw/zinc/09/25/61/608092561.db2.gz GALNRGOCTHXMCT-HWKANZROSA-N -1 1 378.360 3.434 20 30 GGEDMM O=C(C=Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nnn[n-]2)s1 ZINC000826400008 608092940 /nfs/dbraw/zinc/09/29/40/608092940.db2.gz MRDGGVBZYVFQDB-OWOJBTEDSA-N -1 1 392.343 3.154 20 30 GGEDMM O=C(C=Cc1cc2c(cc1OC(F)F)OCO2)c1ccc(-c2nn[n-]n2)s1 ZINC000826400008 608092941 /nfs/dbraw/zinc/09/29/41/608092941.db2.gz MRDGGVBZYVFQDB-OWOJBTEDSA-N -1 1 392.343 3.154 20 30 GGEDMM O=C(C=Cc1cccc(NC(=O)C(F)(F)F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400712 608095094 /nfs/dbraw/zinc/09/50/94/608095094.db2.gz GDAQPDZBBOBOKN-PLNGDYQASA-N -1 1 393.350 3.325 20 30 GGEDMM O=C(C=Cc1cccc(NC(=O)C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400712 608095095 /nfs/dbraw/zinc/09/50/95/608095095.db2.gz GDAQPDZBBOBOKN-PLNGDYQASA-N -1 1 393.350 3.325 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NCc2cccc(OCc3ccc(F)cc3)c2)o1 ZINC000826323072 608319050 /nfs/dbraw/zinc/31/90/50/608319050.db2.gz OPNPVRIKUYGWBM-UHFFFAOYSA-N -1 1 393.382 3.327 20 30 GGEDMM C=CCOc1ccccc1CNc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823932040 609319326 /nfs/dbraw/zinc/31/93/26/609319326.db2.gz LLJHZDGLCTWQFP-UHFFFAOYSA-N -1 1 391.410 3.368 20 30 GGEDMM Cc1[nH]c2ccc(F)cc2c1CN=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000826233370 609449351 /nfs/dbraw/zinc/44/93/51/609449351.db2.gz DZTHZNWREGHKSZ-UHFFFAOYSA-N -1 1 382.403 3.428 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)C[C@H](C)C#N ZINC000053077686 1406282139 /nfs/dbraw/zinc/28/21/39/1406282139.db2.gz AKYXIAGHNGXVTM-CYBMUJFWSA-N -1 1 389.452 3.167 20 30 GGEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)C[C@H](C)C#N)cc1 ZINC000053078072 1406282289 /nfs/dbraw/zinc/28/22/89/1406282289.db2.gz JHMAEXZRKVVQIE-CYBMUJFWSA-N -1 1 389.452 3.167 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C[C@@H](C)C#N)ccc2C)cc1 ZINC000053077731 1406282794 /nfs/dbraw/zinc/28/27/94/1406282794.db2.gz XQHSQLCZTREBRC-HNNXBMFYSA-N -1 1 385.489 3.336 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(C)C[C@@H](C)C#N ZINC000053077683 1406283080 /nfs/dbraw/zinc/28/30/80/1406283080.db2.gz AKYXIAGHNGXVTM-ZDUSSCGKSA-N -1 1 389.452 3.167 20 30 GGEDMM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc4nc(C)[nH]c4c3)cc2[n-]c1=S ZINC000010657066 1398908758 /nfs/dbraw/zinc/90/87/58/1398908758.db2.gz IPZVSZFUIJHTCJ-UHFFFAOYSA-N -1 1 391.456 3.308 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)/C=C/c3cnn(C)c3)cc2)cc1 ZINC000014177741 1399091631 /nfs/dbraw/zinc/09/16/31/1399091631.db2.gz YOJVYTHXAZHRLV-LFYBBSHMSA-N -1 1 381.457 3.425 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cnc(C)o3)cc2)c1 ZINC000055582422 1407011645 /nfs/dbraw/zinc/01/16/45/1407011645.db2.gz HMKPTAHNTMOMHR-UHFFFAOYSA-N -1 1 397.456 3.367 20 30 GGEDMM C[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000024163090 1399607030 /nfs/dbraw/zinc/60/70/30/1399607030.db2.gz GEAQTSOZCRNUSM-SNVBAGLBSA-N -1 1 382.800 3.349 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)cc2OC(F)F)c(=O)o1 ZINC000024496997 1399637382 /nfs/dbraw/zinc/63/73/82/1399637382.db2.gz XDYUVESKBCVLIM-LYKUJDHUSA-N -1 1 388.269 3.118 20 30 GGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)cc1 ZINC000055664082 1407047729 /nfs/dbraw/zinc/04/77/29/1407047729.db2.gz UGUPSCXEWKJENV-UHFFFAOYSA-N -1 1 388.489 3.499 20 30 GGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(C)C)cc2)cc1 ZINC000055664064 1407048023 /nfs/dbraw/zinc/04/80/23/1407048023.db2.gz PFIYCJURTZJHNM-UHFFFAOYSA-N -1 1 388.489 3.438 20 30 GGEDMM CCOc1ccccc1C(=O)NCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026253564 1399873745 /nfs/dbraw/zinc/87/37/45/1399873745.db2.gz ZLROYUYJZOBEDY-UHFFFAOYSA-N -1 1 385.346 3.020 20 30 GGEDMM C=CCN(CC=C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000028492117 1400170612 /nfs/dbraw/zinc/17/06/12/1400170612.db2.gz SFDPUGLONTZIFC-UHFFFAOYSA-N -1 1 386.473 3.310 20 30 GGEDMM CCCN(CC#N)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000056484290 1407345743 /nfs/dbraw/zinc/34/57/43/1407345743.db2.gz KUDDYTGHBSGVNT-UHFFFAOYSA-N -1 1 393.415 3.141 20 30 GGEDMM CCCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000056484372 1407345982 /nfs/dbraw/zinc/34/59/82/1407345982.db2.gz UIQJAKLOBQVVSY-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM CCCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000056484428 1407346827 /nfs/dbraw/zinc/34/68/27/1407346827.db2.gz YQIVJKOEOJEMCL-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM N#Cc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000045215059 1404076618 /nfs/dbraw/zinc/07/66/18/1404076618.db2.gz HAIQPADBMPDEOB-UHFFFAOYSA-N -1 1 391.452 3.289 20 30 GGEDMM C[C@@H](C#N)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000045851137 1404224775 /nfs/dbraw/zinc/22/47/75/1404224775.db2.gz NOROKKYDGUWWRZ-ZDUSSCGKSA-N -1 1 391.880 3.372 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C[C@H](C)C#N)cc2)cc1C ZINC000045851132 1404225271 /nfs/dbraw/zinc/22/52/71/1404225271.db2.gz RNWAQRMUHIXHEK-CQSZACIVSA-N -1 1 385.489 3.336 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C[C@@H](C)C#N)cc2)cc1C ZINC000045851408 1404225434 /nfs/dbraw/zinc/22/54/34/1404225434.db2.gz RXVHLTTXALGRCR-AWEZNQCLSA-N -1 1 385.489 3.336 20 30 GGEDMM Cc1cccc(OCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000046707151 1404559536 /nfs/dbraw/zinc/55/95/36/1404559536.db2.gz AOPIUNBWBAKOTJ-OAHLLOKOSA-N -1 1 393.468 3.427 20 30 GGEDMM Cc1ccc(OCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000046707258 1404559554 /nfs/dbraw/zinc/55/95/54/1404559554.db2.gz UFQYRSKIDGNQJU-OAHLLOKOSA-N -1 1 393.468 3.427 20 30 GGEDMM N#C[C@@H](C(=O)c1ccc2c(c1)OCO2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707026 1404559635 /nfs/dbraw/zinc/55/96/35/1404559635.db2.gz HOBQYFTZYLVJJW-LBPRGKRZSA-N -1 1 393.424 3.494 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735976661 1425696083 /nfs/dbraw/zinc/69/60/83/1425696083.db2.gz SXQGDNXQSLWURR-ZDUSSCGKSA-N -1 1 394.460 3.278 20 30 GGEDMM Cc1noc(C)c1CCC(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362048 1404816995 /nfs/dbraw/zinc/81/69/95/1404816995.db2.gz JDTGGNYFLQPRKK-CQSZACIVSA-N -1 1 396.472 3.277 20 30 GGEDMM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400828 1426580392 /nfs/dbraw/zinc/58/03/92/1426580392.db2.gz JKDNKADYUGDLNA-BAQGIRSFSA-N -1 1 388.362 3.484 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(C#N)cc2)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737202590 1426582313 /nfs/dbraw/zinc/58/23/13/1426582313.db2.gz NTNONVKPPWGSAJ-WDZFZDKYSA-N -1 1 381.399 3.129 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cn[nH]c32)cc1C(F)(F)F ZINC000048514164 1405212929 /nfs/dbraw/zinc/21/29/29/1405212929.db2.gz GIHYNTXTIKMVFA-UHFFFAOYSA-N -1 1 394.334 3.147 20 30 GGEDMM CC(C)c1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n[nH]1 ZINC000048817553 1405297662 /nfs/dbraw/zinc/29/76/62/1405297662.db2.gz DTIKRBVFJNNGBK-NSHDSACASA-N -1 1 381.461 3.200 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cc(F)c(F)cc1F ZINC000819744178 1426865396 /nfs/dbraw/zinc/86/53/96/1426865396.db2.gz ZFZIEOCAUHPQTJ-UHFFFAOYSA-N -1 1 387.365 3.041 20 30 GGEDMM Fc1cc2nc(NN=C3CCCc4cc(-c5nnn[n-]5)ccc43)[nH]c2cc1F ZINC000822753982 1427070543 /nfs/dbraw/zinc/07/05/43/1427070543.db2.gz VALBVUYUNIVAFN-UHFFFAOYSA-N -1 1 380.362 3.174 20 30 GGEDMM N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826387217 1427345826 /nfs/dbraw/zinc/34/58/26/1427345826.db2.gz KVTMBPLFZBWBBY-UHFFFAOYSA-N -1 1 380.411 3.335 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000737082737 1427363187 /nfs/dbraw/zinc/36/31/87/1427363187.db2.gz YVICUMKOZMFVPB-QHHAFSJGSA-N -1 1 385.767 3.333 20 30 GGEDMM C=CCN(Cc1noc(-c2ccccc2C)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745951 1427705808 /nfs/dbraw/zinc/70/58/08/1427705808.db2.gz WGYZJDAWPKUHIW-UHFFFAOYSA-N -1 1 387.447 3.413 20 30 GGEDMM COc1ccc(C=CC(=O)c2c(Cl)nc3ccccn32)cc1-c1nnn[n-]1 ZINC000737081547 1427730749 /nfs/dbraw/zinc/73/07/49/1427730749.db2.gz OUYRDGGURZHUKA-FNORWQNLSA-N -1 1 380.795 3.073 20 30 GGEDMM C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321602 1428104843 /nfs/dbraw/zinc/10/48/43/1428104843.db2.gz JILOWTKMRJYNIJ-HNNXBMFYSA-N -1 1 390.447 3.165 20 30 GGEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735419512 1428224571 /nfs/dbraw/zinc/22/45/71/1428224571.db2.gz UCHLDEVVPPIHBH-UHFFFAOYSA-N -1 1 395.916 3.277 20 30 GGEDMM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000057123168 1407525991 /nfs/dbraw/zinc/52/59/91/1407525991.db2.gz LVXWHKZYPPFSMZ-UHFFFAOYSA-N -1 1 393.424 3.250 20 30 GGEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000057123567 1407527236 /nfs/dbraw/zinc/52/72/36/1407527236.db2.gz PHJHEGFWGWGIFE-UHFFFAOYSA-N -1 1 381.457 3.173 20 30 GGEDMM C#CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000058833307 1407887941 /nfs/dbraw/zinc/88/79/41/1407887941.db2.gz BSWGXOBILDEKAR-UHFFFAOYSA-N -1 1 394.246 3.040 20 30 GGEDMM CCOC(=O)c1ccc(-c2nnn[n-]2)c(S[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000736603295 1428297405 /nfs/dbraw/zinc/29/74/05/1428297405.db2.gz NGVZVBMDGJWRFD-NSHDSACASA-N -1 1 380.433 3.163 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C[C@@H](C)C#N)ccc2C)c1 ZINC000063747526 1408400130 /nfs/dbraw/zinc/40/01/30/1408400130.db2.gz HHCLHRCPHQYUAV-HNNXBMFYSA-N -1 1 385.489 3.336 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1 ZINC000063849224 1408427757 /nfs/dbraw/zinc/42/77/57/1408427757.db2.gz GOFBPZSMMVLXES-UHFFFAOYSA-N -1 1 388.489 3.328 20 30 GGEDMM N#CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)C1CC1 ZINC000065895404 1408749403 /nfs/dbraw/zinc/74/94/03/1408749403.db2.gz FDBCMUUJRTUKKN-UHFFFAOYSA-N -1 1 389.864 3.269 20 30 GGEDMM N#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)C1CC1 ZINC000065894383 1408749469 /nfs/dbraw/zinc/74/94/69/1408749469.db2.gz BMGKWJOMDJVVTB-UHFFFAOYSA-N -1 1 389.864 3.269 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(CC#N)C3CC3)ccc2C)c1 ZINC000065895051 1408749481 /nfs/dbraw/zinc/74/94/81/1408749481.db2.gz LNDDCXKOAIIYFN-UHFFFAOYSA-N -1 1 383.473 3.232 20 30 GGEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C(N)=O)c3)n2)cc1 ZINC000066544203 1408855572 /nfs/dbraw/zinc/85/55/72/1408855572.db2.gz HYDQOSBZENQQEC-INIZCTEOSA-N -1 1 377.425 3.408 20 30 GGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c1 ZINC000066587663 1408861702 /nfs/dbraw/zinc/86/17/02/1408861702.db2.gz BZOBDJOFKCBWAW-UHFFFAOYSA-N -1 1 395.502 3.154 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)C(F)(F)C(F)F)nc2C)n[n-]c1=S ZINC000176565782 1428365260 /nfs/dbraw/zinc/36/52/60/1428365260.db2.gz UKUAVLOZOOUOQF-UHFFFAOYSA-N -1 1 381.380 3.398 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1NC(=O)c1ccncc1 ZINC000067124300 1409014663 /nfs/dbraw/zinc/01/46/63/1409014663.db2.gz UYKNBCNHWRAOND-UHFFFAOYSA-N -1 1 392.440 3.315 20 30 GGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 ZINC000067683952 1409206579 /nfs/dbraw/zinc/20/65/79/1409206579.db2.gz ZMSYXDIYBOVMBO-UHFFFAOYSA-N -1 1 383.473 3.314 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)C3CC3)cc2)n1 ZINC000067894750 1409250675 /nfs/dbraw/zinc/25/06/75/1409250675.db2.gz GGXXBMNBDQMLCL-AWEZNQCLSA-N -1 1 383.429 3.158 20 30 GGEDMM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(Br)cc1 ZINC000824045643 1428393431 /nfs/dbraw/zinc/39/34/31/1428393431.db2.gz NVHGGHJEFVGVNX-SNVBAGLBSA-N -1 1 397.236 3.243 20 30 GGEDMM O=C(C=Cc1ccc(O)c(Br)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400583 1428396326 /nfs/dbraw/zinc/39/63/26/1428396326.db2.gz BWJITVSKOXZBQL-ORCRQEGFSA-N -1 1 389.184 3.370 20 30 GGEDMM C[C@@H](C#N)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000176695509 1428414298 /nfs/dbraw/zinc/41/42/98/1428414298.db2.gz COXNJCWOKALEQK-NSHDSACASA-N -1 1 395.843 3.169 20 30 GGEDMM N#CCOc1ccc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000069314991 1409611944 /nfs/dbraw/zinc/61/19/44/1409611944.db2.gz BXHVDJZAXKUQFU-UHFFFAOYSA-N -1 1 393.443 3.099 20 30 GGEDMM Clc1ccc(C#CCN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000822574337 1428424539 /nfs/dbraw/zinc/42/45/39/1428424539.db2.gz RVMGFBIOUZVARD-UHFFFAOYSA-N -1 1 393.878 3.415 20 30 GGEDMM CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1 ZINC000072079812 1409846709 /nfs/dbraw/zinc/84/67/09/1409846709.db2.gz RVSJTLXIXLXSND-KRXBUXKQSA-N -1 1 396.262 3.422 20 30 GGEDMM N#CC1(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)CCCC1 ZINC000072081943 1409846976 /nfs/dbraw/zinc/84/69/76/1409846976.db2.gz DDJFMRFLYRGILO-UHFFFAOYSA-N -1 1 383.473 3.188 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000176724562 1428436261 /nfs/dbraw/zinc/43/62/61/1428436261.db2.gz QIJDEQQHHRCXNM-UHFFFAOYSA-N -1 1 383.404 3.472 20 30 GGEDMM CC[C@@H](C#N)NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000102350920 1410606016 /nfs/dbraw/zinc/60/60/16/1410606016.db2.gz NVWJZFULVKYGNS-HNNXBMFYSA-N -1 1 391.880 3.481 20 30 GGEDMM C=CCN(CC=C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000102576112 1410655662 /nfs/dbraw/zinc/65/56/62/1410655662.db2.gz ZUFXVPMNEMOBTG-UHFFFAOYSA-N -1 1 385.489 3.371 20 30 GGEDMM Cc1nn(Cc2ccccc2Cl)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000105640239 1411094320 /nfs/dbraw/zinc/09/43/20/1411094320.db2.gz NSDQUQDQEXPWSO-GWQNQTGSSA-N -1 1 398.846 3.430 20 30 GGEDMM Cc1nn(Cc2ccccc2Cl)c(C)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000105640235 1411094507 /nfs/dbraw/zinc/09/45/07/1411094507.db2.gz NSDQUQDQEXPWSO-ZTBDEIDFSA-N -1 1 398.846 3.430 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@@H](C#N)C3CC3)cc2)ccc1F ZINC000177021286 1428557552 /nfs/dbraw/zinc/55/75/52/1428557552.db2.gz VALRORZBEKCTJL-SFHVURJKSA-N -1 1 388.420 3.394 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)O[C@H](C#N)C3CC3)cc2)ccc1F ZINC000177021303 1428557859 /nfs/dbraw/zinc/55/78/59/1428557859.db2.gz VALRORZBEKCTJL-GOSISDBHSA-N -1 1 388.420 3.394 20 30 GGEDMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000108293957 1411466339 /nfs/dbraw/zinc/46/63/39/1411466339.db2.gz UIEACELRTJBCFI-UHFFFAOYSA-N -1 1 391.880 3.494 20 30 GGEDMM CCN(Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1)C(C)=O ZINC000108354444 1411479897 /nfs/dbraw/zinc/47/98/97/1411479897.db2.gz KNKRVBXSYXZBPW-UHFFFAOYSA-N -1 1 391.880 3.381 20 30 GGEDMM COc1ccc(Cn2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)cn2)cc1 ZINC000109412998 1411758470 /nfs/dbraw/zinc/75/84/70/1411758470.db2.gz FDLPIBCDXWMZHM-SFHVURJKSA-N -1 1 385.427 3.317 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000111197423 1411895264 /nfs/dbraw/zinc/89/52/64/1411895264.db2.gz KRIFQCMFRRAYKV-UHFFFAOYSA-N -1 1 398.422 3.326 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cn4cccnc4n3)cc2)c1 ZINC000111995216 1412064383 /nfs/dbraw/zinc/06/43/83/1412064383.db2.gz BKRWGIKBDYEJAQ-UHFFFAOYSA-N -1 1 375.413 3.069 20 30 GGEDMM CC(C)(C)S(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000112266854 1412110639 /nfs/dbraw/zinc/11/06/39/1412110639.db2.gz ZZXUZJBMTRUNRB-UHFFFAOYSA-N -1 1 392.502 3.072 20 30 GGEDMM CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C[C@@H](C#N)CCC#N ZINC000112560345 1412168929 /nfs/dbraw/zinc/16/89/29/1412168929.db2.gz GAFWKPYBSVZGMB-GOSISDBHSA-N -1 1 382.489 3.363 20 30 GGEDMM N#C[C@H](C(=O)[C@H]1COc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000113651212 1412330799 /nfs/dbraw/zinc/33/07/99/1412330799.db2.gz SJEBLUQLCFWORL-KGLIPLIRSA-N -1 1 391.452 3.216 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000114156256 1412384435 /nfs/dbraw/zinc/38/44/35/1412384435.db2.gz ZFMMMMQWWFMVNK-UHFFFAOYSA-N -1 1 397.438 3.108 20 30 GGEDMM Cc1oncc1C(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673700 1412492669 /nfs/dbraw/zinc/49/26/69/1412492669.db2.gz RHXNHQCWHQOURN-UHFFFAOYSA-N -1 1 396.428 3.216 20 30 GGEDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Cl ZINC000114673725 1412493083 /nfs/dbraw/zinc/49/30/83/1412493083.db2.gz IVYFVHOBPUNWAW-UHFFFAOYSA-N -1 1 391.880 3.461 20 30 GGEDMM C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673752 1412493111 /nfs/dbraw/zinc/49/31/11/1412493111.db2.gz WVTUBFKYCPSZNW-UHFFFAOYSA-N -1 1 395.484 3.482 20 30 GGEDMM CCN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000114673423 1412493419 /nfs/dbraw/zinc/49/34/19/1412493419.db2.gz LVJKKWHFVNRIQH-UHFFFAOYSA-N -1 1 385.489 3.078 20 30 GGEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000117856059 1413083682 /nfs/dbraw/zinc/08/36/82/1413083682.db2.gz QJMASOSZXPRCMT-UHFFFAOYSA-N -1 1 381.465 3.055 20 30 GGEDMM C=CCN(C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000823903768 1428715406 /nfs/dbraw/zinc/71/54/06/1428715406.db2.gz JYGDIJJYXGNXPJ-UHFFFAOYSA-N -1 1 375.432 3.236 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000119055803 1413318620 /nfs/dbraw/zinc/31/86/20/1413318620.db2.gz JXCWVFIVXPVWIK-BEFAXECRSA-N -1 1 379.460 3.158 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC000119789338 1413570096 /nfs/dbraw/zinc/57/00/96/1413570096.db2.gz XOGBDIOVNKVEMD-UHFFFAOYSA-N -1 1 383.429 3.058 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(=O)o1 ZINC000119859482 1413596208 /nfs/dbraw/zinc/59/62/08/1413596208.db2.gz QCFYZEWRRJRIAN-GLCJEOIMSA-N -1 1 399.406 3.163 20 30 GGEDMM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1nc2cc(Cl)ccc2s1 ZINC000119983129 1413641489 /nfs/dbraw/zinc/64/14/89/1413641489.db2.gz YBIMOGGOTXEZHO-CYBMUJFWSA-N -1 1 380.820 3.415 20 30 GGEDMM Cc1ccc(C#N)cc1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737306770 1428761195 /nfs/dbraw/zinc/76/11/95/1428761195.db2.gz SJOPDCCOWACICY-UHFFFAOYSA-N -1 1 397.398 3.486 20 30 GGEDMM N#Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2F)ccc1-c1nnn[n-]1 ZINC000822822659 1428766048 /nfs/dbraw/zinc/76/60/48/1428766048.db2.gz AFXSDIGSBSTFDN-UHFFFAOYSA-N -1 1 376.273 3.149 20 30 GGEDMM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cc(F)ccc1F ZINC000121020470 1413979209 /nfs/dbraw/zinc/97/92/09/1413979209.db2.gz SNIOKXSIERWGGB-CQSZACIVSA-N -1 1 381.360 3.174 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)NC3CC3)cc2)cc1Cl ZINC000121193546 1414040021 /nfs/dbraw/zinc/04/00/21/1414040021.db2.gz KTALVOYIZPBKIH-UHFFFAOYSA-N -1 1 390.852 3.296 20 30 GGEDMM CCn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000121275623 1414068114 /nfs/dbraw/zinc/06/81/14/1414068114.db2.gz PZTUCUYTVIUDAN-UHFFFAOYSA-N -1 1 387.852 3.291 20 30 GGEDMM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736103076 1428791008 /nfs/dbraw/zinc/79/10/08/1428791008.db2.gz VZODLWJTEQCPKF-HNNXBMFYSA-N -1 1 390.447 3.165 20 30 GGEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cc(-c4ccc(F)cc4)on3)n2)cc1 ZINC000122125265 1414368646 /nfs/dbraw/zinc/36/86/46/1414368646.db2.gz ABASIVBMXFPRGK-UHFFFAOYSA-N -1 1 388.362 3.244 20 30 GGEDMM COc1csc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000177590206 1428804865 /nfs/dbraw/zinc/80/48/65/1428804865.db2.gz UGDGADSXVXNVSO-LLVKDONJSA-N -1 1 385.470 3.424 20 30 GGEDMM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2NC1=O ZINC000122282690 1414410987 /nfs/dbraw/zinc/41/09/87/1414410987.db2.gz WPJKONWVNYQCTA-WCQYABFASA-N -1 1 376.441 3.496 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCc1cccc(F)c1 ZINC000735418511 1428807429 /nfs/dbraw/zinc/80/74/29/1428807429.db2.gz GFHZCAUEUUIKIX-UHFFFAOYSA-N -1 1 394.454 3.336 20 30 GGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177618836 1428812519 /nfs/dbraw/zinc/81/25/19/1428812519.db2.gz GHRGADBPQDOPLK-UHFFFAOYSA-N -1 1 383.351 3.336 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1ccc(-c2cccs2)n1 ZINC000735425633 1428817175 /nfs/dbraw/zinc/81/71/75/1428817175.db2.gz CVKMJWBUOCHMLW-UHFFFAOYSA-N -1 1 377.477 3.437 20 30 GGEDMM N#C[C@H](C(=O)[C@@H]1CC1(Cl)Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123453607 1414736575 /nfs/dbraw/zinc/73/65/75/1414736575.db2.gz ZZFIQUDIMSIFIZ-BDAKNGLRSA-N -1 1 382.272 3.233 20 30 GGEDMM N#C[C@@H](C(=O)[C@H]1CC1(Cl)Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123453775 1414737089 /nfs/dbraw/zinc/73/70/89/1414737089.db2.gz ZZFIQUDIMSIFIZ-DTWKUNHWSA-N -1 1 382.272 3.233 20 30 GGEDMM CC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000123601398 1414790463 /nfs/dbraw/zinc/79/04/63/1414790463.db2.gz UVHFBPINRAVXJI-CYBMUJFWSA-N -1 1 391.880 3.481 20 30 GGEDMM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cn1 ZINC000123730685 1414816970 /nfs/dbraw/zinc/81/69/70/1414816970.db2.gz RYUUBEHIZCCXHY-UHFFFAOYSA-N -1 1 388.836 3.207 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1nc(-c2ccc(Cl)cc2)no1 ZINC000123893465 1414844711 /nfs/dbraw/zinc/84/47/11/1414844711.db2.gz UBSYLIZQTBMEQT-LLVKDONJSA-N -1 1 388.836 3.301 20 30 GGEDMM Cc1nc(SCC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c(C#N)c(C)c1C ZINC000822454583 1428844995 /nfs/dbraw/zinc/84/49/95/1428844995.db2.gz YHPNIGAVDOHGAI-UHFFFAOYSA-N -1 1 393.476 3.098 20 30 GGEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccc(C)o1 ZINC000124350433 1414946374 /nfs/dbraw/zinc/94/63/74/1414946374.db2.gz PPYYWZRTEOBMGX-ZDUSSCGKSA-N -1 1 388.367 3.145 20 30 GGEDMM COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)c1F ZINC000124415866 1414963188 /nfs/dbraw/zinc/96/31/88/1414963188.db2.gz ZPSOOXVHQZOUCB-AWEZNQCLSA-N -1 1 394.399 3.075 20 30 GGEDMM C=C1CCN(CC(=O)Nc2c(-c3nnn[n-]3)c(C)c(C)n2C2CCCCC2)CC1 ZINC000735402467 1428851651 /nfs/dbraw/zinc/85/16/51/1428851651.db2.gz BLBIMMDDJYIKOH-UHFFFAOYSA-N -1 1 397.527 3.381 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)ccc1-c1nnn[n-]1 ZINC000737708808 1428872594 /nfs/dbraw/zinc/87/25/94/1428872594.db2.gz JBQIHEOVMKTVOA-UHFFFAOYSA-N -1 1 390.406 3.390 20 30 GGEDMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H](C)C#N)c2)cc1 ZINC000125798156 1415284018 /nfs/dbraw/zinc/28/40/18/1415284018.db2.gz OHMIXLSSAZEYOH-HNNXBMFYSA-N -1 1 385.489 3.472 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(=O)o1 ZINC000125861191 1415299056 /nfs/dbraw/zinc/29/90/56/1415299056.db2.gz HYBOIXDDKKYXEI-QQUYBBDPSA-N -1 1 399.406 3.163 20 30 GGEDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000126003778 1415334471 /nfs/dbraw/zinc/33/44/71/1415334471.db2.gz YGUPAKXPSCWFNO-JTQLQIEISA-N -1 1 381.360 3.093 20 30 GGEDMM C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112069 1428894061 /nfs/dbraw/zinc/89/40/61/1428894061.db2.gz PEEAUEGQWDDZSA-CQSZACIVSA-N -1 1 387.447 3.174 20 30 GGEDMM Cc1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(OC(C)C)c1 ZINC000126123907 1415363968 /nfs/dbraw/zinc/36/39/68/1415363968.db2.gz WOXWMFGNKZFCPX-UHFFFAOYSA-N -1 1 389.433 3.041 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826234302 1428926712 /nfs/dbraw/zinc/92/67/12/1428926712.db2.gz POJWBRNHWKTQKF-FPLPWBNLSA-N -1 1 394.347 3.196 20 30 GGEDMM CC(C)[C@](C)(C#N)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735691342 1428944254 /nfs/dbraw/zinc/94/42/54/1428944254.db2.gz PGPMKAOGXOGIOI-NRFANRHFSA-N -1 1 390.447 3.114 20 30 GGEDMM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(CC#N)cc3)c2-c2nn[n-]n2)C1 ZINC000824969008 1428952576 /nfs/dbraw/zinc/95/25/76/1428952576.db2.gz SAVJTOPIRKJFHO-LLVKDONJSA-N -1 1 378.461 3.371 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)c2c(F)cc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC000820170204 1428953982 /nfs/dbraw/zinc/95/39/82/1428953982.db2.gz ULBPRUOCHWRPHD-UHFFFAOYSA-N -1 1 384.346 3.056 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000127483997 1415798822 /nfs/dbraw/zinc/79/88/22/1415798822.db2.gz KLURXYSEIBZIMF-IBGZPJMESA-N -1 1 389.452 3.357 20 30 GGEDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccco1 ZINC000127573621 1415811996 /nfs/dbraw/zinc/81/19/96/1415811996.db2.gz CPQMPPNCRMGFQJ-IBGZPJMESA-N -1 1 386.404 3.367 20 30 GGEDMM N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826387215 1429005839 /nfs/dbraw/zinc/00/58/39/1429005839.db2.gz KVCJXHHRUFJUEZ-UHFFFAOYSA-N -1 1 386.440 3.397 20 30 GGEDMM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000737202139 1429005084 /nfs/dbraw/zinc/00/50/84/1429005084.db2.gz KPVAKMJWRAWNFF-SREVYHEPSA-N -1 1 394.347 3.196 20 30 GGEDMM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1c(C#N)cnc2c(F)cc(F)cc21 ZINC000736818664 1429030633 /nfs/dbraw/zinc/03/06/33/1429030633.db2.gz UAAZGKFCMARVKK-UHFFFAOYSA-N -1 1 377.358 3.201 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1 ZINC000178223300 1429021967 /nfs/dbraw/zinc/02/19/67/1429021967.db2.gz YCYJIYBWDFYYQJ-UHFFFAOYSA-N -1 1 396.222 3.338 20 30 GGEDMM N#CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)C1CCCC1 ZINC000128273503 1415952347 /nfs/dbraw/zinc/95/23/47/1415952347.db2.gz RLUSNCBMOYOYLA-UHFFFAOYSA-N -1 1 383.473 3.396 20 30 GGEDMM N#CCN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCCC1 ZINC000128330970 1415964515 /nfs/dbraw/zinc/96/45/15/1415964515.db2.gz UOFKDVQIBBATRM-UHFFFAOYSA-N -1 1 383.473 3.396 20 30 GGEDMM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000128743917 1416057475 /nfs/dbraw/zinc/05/74/75/1416057475.db2.gz OIEVCGYLUZCMPM-KRWDZBQOSA-N -1 1 389.377 3.434 20 30 GGEDMM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1O ZINC000826387308 1429059415 /nfs/dbraw/zinc/05/94/15/1429059415.db2.gz ORJMBRULAYTGFW-UHFFFAOYSA-N -1 1 398.382 3.489 20 30 GGEDMM C[C@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000824713499 1429064194 /nfs/dbraw/zinc/06/41/94/1429064194.db2.gz IUSFEVBHTPJDET-IFXJQAMLSA-N -1 1 388.431 3.012 20 30 GGEDMM COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OCC(C)C ZINC000821786763 1429068305 /nfs/dbraw/zinc/06/83/05/1429068305.db2.gz IWAFGKFHMMSSTD-UHFFFAOYSA-N -1 1 380.452 3.034 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000819992323 1429076727 /nfs/dbraw/zinc/07/67/27/1429076727.db2.gz WBTOLCBDGNTVQX-CQSZACIVSA-N -1 1 388.387 3.042 20 30 GGEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)[nH]c(=O)n3CC(F)(F)F)n1 ZINC000129985369 1416296236 /nfs/dbraw/zinc/29/62/36/1416296236.db2.gz LLQDYLYFQSYOHO-JTQLQIEISA-N -1 1 380.351 3.147 20 30 GGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(-c2ccccc2)n1 ZINC000130211837 1416340654 /nfs/dbraw/zinc/34/06/54/1416340654.db2.gz SCMYYJIZJSQJCX-ZDUSSCGKSA-N -1 1 383.770 3.021 20 30 GGEDMM Cc1ccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)nn2)cc1 ZINC000130253418 1416346713 /nfs/dbraw/zinc/34/67/13/1416346713.db2.gz VNZBTCWGQCVIMZ-CQSZACIVSA-N -1 1 397.797 3.329 20 30 GGEDMM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1C#N ZINC000821570557 1429091496 /nfs/dbraw/zinc/09/14/96/1429091496.db2.gz AEVSADXOJAQDDR-UHFFFAOYSA-N -1 1 384.852 3.147 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(C)nc2-c2cc3ccccc3o2)c(=O)o1 ZINC000130665143 1416420704 /nfs/dbraw/zinc/42/07/04/1416420704.db2.gz PSIOUABCXZRRFV-IHHMQQGQSA-N -1 1 376.368 3.062 20 30 GGEDMM CCOc1cc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000178597333 1429117313 /nfs/dbraw/zinc/11/73/13/1429117313.db2.gz LEMYGRCMDPWFJM-SFHVURJKSA-N -1 1 399.878 3.467 20 30 GGEDMM Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(CC#N)cc3)cc2)n1 ZINC000132054713 1416683709 /nfs/dbraw/zinc/68/37/09/1416683709.db2.gz WCKVNDDNBUKDBG-UHFFFAOYSA-N -1 1 380.429 3.444 20 30 GGEDMM COc1cc(CN2CC[C@H](/N=C/c3cc([N+](=O)[O-])ccc3[O-])C2)cc(OC)c1 ZINC000132442594 1416761366 /nfs/dbraw/zinc/76/13/66/1416761366.db2.gz INZKZHISTMMQMH-XYHOIZSOSA-N -1 1 385.420 3.011 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccn2Cc2cccs2)n1 ZINC000826349976 1429135383 /nfs/dbraw/zinc/13/53/83/1429135383.db2.gz CALILXQPUGJYPN-UHFFFAOYSA-N -1 1 384.856 3.272 20 30 GGEDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000135297337 1417204973 /nfs/dbraw/zinc/20/49/73/1417204973.db2.gz YAJSFLWNRXDSNS-UHFFFAOYSA-N -1 1 375.425 3.386 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCC2CCOCC2)cc1 ZINC000135332403 1417208973 /nfs/dbraw/zinc/20/89/73/1417208973.db2.gz DWEJFKHRWOMKRS-UHFFFAOYSA-N -1 1 386.473 3.473 20 30 GGEDMM N#Cc1ccccc1N1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737727035 1429169451 /nfs/dbraw/zinc/16/94/51/1429169451.db2.gz CBHAHNBZEHDVEY-UHFFFAOYSA-N -1 1 379.855 3.108 20 30 GGEDMM N#C[C@H](C(=O)C=Cc1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136143846 1417295442 /nfs/dbraw/zinc/29/54/42/1417295442.db2.gz KQSAINQGAUAWNT-HSBSLETESA-N -1 1 376.441 3.148 20 30 GGEDMM N#C[C@@H](C(=O)CCc1cccnc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136143795 1417295489 /nfs/dbraw/zinc/29/54/89/1417295489.db2.gz LSNFJBRYVJHVPL-AWEZNQCLSA-N -1 1 378.457 3.067 20 30 GGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(C)n3C)n2)c1 ZINC000136578793 1417328798 /nfs/dbraw/zinc/32/87/98/1417328798.db2.gz ORQCNHKSOQKHHX-HNNXBMFYSA-N -1 1 394.456 3.427 20 30 GGEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000136656115 1417335846 /nfs/dbraw/zinc/33/58/46/1417335846.db2.gz KVIFMMRCHCBRTH-SNVBAGLBSA-N -1 1 381.816 3.352 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccncc1CC ZINC000823909667 1429264718 /nfs/dbraw/zinc/26/47/18/1429264718.db2.gz MTNHJKKERGWLIK-OAHLLOKOSA-N -1 1 391.479 3.283 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)Cc2ccc(Br)c(F)c2)o1 ZINC000820293846 1429300248 /nfs/dbraw/zinc/30/02/48/1429300248.db2.gz PVAAKJONQBUODF-UHFFFAOYSA-N -1 1 394.208 3.095 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000819746084 1429303844 /nfs/dbraw/zinc/30/38/44/1429303844.db2.gz ZQOFKMJCTAEIAH-UHFFFAOYSA-N -1 1 391.328 3.252 20 30 GGEDMM Cc1cn(CC(=O)Nc2ccccc2S[C@H](C)CC#N)cc1-c1nnn[n-]1 ZINC000822384042 1429331836 /nfs/dbraw/zinc/33/18/36/1429331836.db2.gz FNTFURKYEVSUID-CYBMUJFWSA-N -1 1 381.465 3.010 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822802054 1429371563 /nfs/dbraw/zinc/37/15/63/1429371563.db2.gz UOQUCRNCJKNDDN-SJLPKXTDSA-N -1 1 389.488 3.335 20 30 GGEDMM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000822650655 1429453529 /nfs/dbraw/zinc/45/35/29/1429453529.db2.gz XQJOEMNCBUPKDA-UHFFFAOYSA-N -1 1 385.387 3.121 20 30 GGEDMM N#Cc1ccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c(Cl)c1 ZINC000822829836 1429456920 /nfs/dbraw/zinc/45/69/20/1429456920.db2.gz LLOHSSRAXLNQKY-UHFFFAOYSA-N -1 1 388.218 3.096 20 30 GGEDMM CCOc1ccc([N+](=O)[O-])cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825642730 1429466259 /nfs/dbraw/zinc/46/62/59/1429466259.db2.gz ADLXAWBQKHOPPO-DAXSKMNVSA-N -1 1 383.339 3.209 20 30 GGEDMM N#CC(=C([O-])c1ccc2ncccc2c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000179607251 1429468478 /nfs/dbraw/zinc/46/84/78/1429468478.db2.gz GKTJEKJJOAUQJN-MRXNPFEDSA-N -1 1 381.399 3.236 20 30 GGEDMM N#CCCN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000737685448 1429472090 /nfs/dbraw/zinc/47/20/90/1429472090.db2.gz CTCMZOYMTMPUFY-UHFFFAOYSA-N -1 1 396.451 3.186 20 30 GGEDMM CCN(CCC#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821207914 1429479894 /nfs/dbraw/zinc/47/98/94/1429479894.db2.gz YHBSCTLNOYRHQD-UHFFFAOYSA-N -1 1 377.408 3.426 20 30 GGEDMM CC[C@@H](SC)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825159347 1429489805 /nfs/dbraw/zinc/48/98/05/1429489805.db2.gz NVLFIRMIBCQHTO-GXTWGEPZSA-N -1 1 384.490 3.308 20 30 GGEDMM Cc1c(C(=O)C=Cc2cnc(-c3ccccc3)nc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202566 1429514431 /nfs/dbraw/zinc/51/44/31/1429514431.db2.gz NNSQSWXWNUJGPX-MDZDMXLPSA-N -1 1 397.442 3.276 20 30 GGEDMM N#Cc1ccc([O-])c(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)c1 ZINC000179742824 1429532631 /nfs/dbraw/zinc/53/26/31/1429532631.db2.gz YAIPMWFJOMHVMU-UHFFFAOYSA-N -1 1 384.189 3.120 20 30 GGEDMM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccco1 ZINC000152729302 1422227721 /nfs/dbraw/zinc/22/77/21/1422227721.db2.gz PYZHDVZORYSGRK-IBGZPJMESA-N -1 1 386.404 3.367 20 30 GGEDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccco1 ZINC000152729363 1422228092 /nfs/dbraw/zinc/22/80/92/1422228092.db2.gz PYZHDVZORYSGRK-LJQANCHMSA-N -1 1 386.404 3.367 20 30 GGEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)cc21 ZINC000152771234 1422242904 /nfs/dbraw/zinc/24/29/04/1422242904.db2.gz GNURRXFLENTIBQ-UHFFFAOYSA-N -1 1 389.864 3.312 20 30 GGEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc2ccccc21 ZINC000153123172 1422364809 /nfs/dbraw/zinc/36/48/09/1422364809.db2.gz SZZOYYZUQULXPR-ZDUSSCGKSA-N -1 1 386.371 3.157 20 30 GGEDMM Cn1c(C(C#N)=C([O-])c2ccn(-c3ccccc3[N+](=O)[O-])n2)nc2ccccc21 ZINC000153123316 1422364869 /nfs/dbraw/zinc/36/48/69/1422364869.db2.gz SZZOYYZUQULXPR-CYBMUJFWSA-N -1 1 386.371 3.157 20 30 GGEDMM CC(C)[C@@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735734242 1429563210 /nfs/dbraw/zinc/56/32/10/1429563210.db2.gz FPJYBZGXWBSPPU-QGZVFWFLSA-N -1 1 378.461 3.494 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153563367 1422618700 /nfs/dbraw/zinc/61/87/00/1422618700.db2.gz HQFUGOYVLQDMLI-GOSISDBHSA-N -1 1 377.448 3.146 20 30 GGEDMM N#Cc1cc(F)c(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c(F)c1 ZINC000154565661 1422933612 /nfs/dbraw/zinc/93/36/12/1422933612.db2.gz FSGIJPOUUKUUPV-UHFFFAOYSA-N -1 1 375.287 3.158 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cn(-c2ccccc2)nc1C ZINC000735421049 1429598108 /nfs/dbraw/zinc/59/81/08/1429598108.db2.gz XAZXZNNENLANHN-UHFFFAOYSA-N -1 1 399.458 3.189 20 30 GGEDMM C#CCN(CC)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000819697797 1429607640 /nfs/dbraw/zinc/60/76/40/1429607640.db2.gz KWGBOBFKHGJFFM-UHFFFAOYSA-N -1 1 390.447 3.241 20 30 GGEDMM C[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820321953 1429607693 /nfs/dbraw/zinc/60/76/93/1429607693.db2.gz OREROIVLYOOOOE-OAHLLOKOSA-N -1 1 390.447 3.165 20 30 GGEDMM CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000735648109 1423401522 /nfs/dbraw/zinc/40/15/22/1423401522.db2.gz MMNGYTXBJHZANY-UHFFFAOYSA-N -1 1 391.391 3.196 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)n1-c1ccc(C#N)cc1 ZINC000104368024 1423401570 /nfs/dbraw/zinc/40/15/70/1423401570.db2.gz NPRZKRQUQUWLKG-UHFFFAOYSA-N -1 1 383.415 3.398 20 30 GGEDMM FC(F)(F)Oc1ccc(C#CCNC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826368686 1423431387 /nfs/dbraw/zinc/43/13/87/1423431387.db2.gz YSIVHMBKFPVPCT-UHFFFAOYSA-N -1 1 399.376 3.396 20 30 GGEDMM FC(F)(F)Oc1ccc(C#CCNC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826368686 1423431391 /nfs/dbraw/zinc/43/13/91/1423431391.db2.gz YSIVHMBKFPVPCT-UHFFFAOYSA-N -1 1 399.376 3.396 20 30 GGEDMM CC#CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000155910131 1423591396 /nfs/dbraw/zinc/59/13/96/1423591396.db2.gz QQXREJNPMKTMNB-UHFFFAOYSA-N -1 1 380.828 3.033 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccnc(OC3CCCCC3)c2)cc1-c1nn[n-]n1 ZINC000826385213 1429655981 /nfs/dbraw/zinc/65/59/81/1429655981.db2.gz BOGJOOFTQIQJOK-UHFFFAOYSA-N -1 1 389.419 3.097 20 30 GGEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824754713 1423605501 /nfs/dbraw/zinc/60/55/01/1423605501.db2.gz JOWKMGCYPDQFBX-QLJPJBMISA-N -1 1 378.889 3.055 20 30 GGEDMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000826253787 1423674516 /nfs/dbraw/zinc/67/45/16/1423674516.db2.gz DKWMINIRDILWIB-UHFFFAOYSA-N -1 1 388.387 3.096 20 30 GGEDMM C#CCCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000156200755 1423722196 /nfs/dbraw/zinc/72/21/96/1423722196.db2.gz MAAZCSWCZIESRB-UHFFFAOYSA-N -1 1 388.464 3.468 20 30 GGEDMM CCOc1ccc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cn1 ZINC000179968273 1429667055 /nfs/dbraw/zinc/66/70/55/1429667055.db2.gz IWKIELSLAWUNBM-CYBMUJFWSA-N -1 1 394.456 3.147 20 30 GGEDMM C#CCCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823841285 1423757428 /nfs/dbraw/zinc/75/74/28/1423757428.db2.gz KTESZOZLOCYFMD-UHFFFAOYSA-N -1 1 377.242 3.256 20 30 GGEDMM C#CCN(CC)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819698428 1423761482 /nfs/dbraw/zinc/76/14/82/1423761482.db2.gz ZXBXKUMZQAIALF-UHFFFAOYSA-N -1 1 380.383 3.285 20 30 GGEDMM CCC[C@@H](NC(=O)c1ccc(Sc2ccccc2C#N)cc1)c1nnn[n-]1 ZINC000136634984 1423780284 /nfs/dbraw/zinc/78/02/84/1423780284.db2.gz BXBOSODMXHAUNU-MRXNPFEDSA-N -1 1 378.461 3.494 20 30 GGEDMM C=CCn1c(SCCC[N-]C(=O)C(F)(F)F)nnc1-c1cccs1 ZINC000156563030 1423828703 /nfs/dbraw/zinc/82/87/03/1423828703.db2.gz BNUHVFITORMGPR-UHFFFAOYSA-N -1 1 376.429 3.353 20 30 GGEDMM C#CC[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823837380 1429686739 /nfs/dbraw/zinc/68/67/39/1429686739.db2.gz CQVZQTJYJOUAHR-FQEVSTJZSA-N -1 1 389.459 3.297 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)[nH]1 ZINC000157274366 1423971850 /nfs/dbraw/zinc/97/18/50/1423971850.db2.gz JLKJUWAEGHXKSR-UHFFFAOYSA-N -1 1 384.392 3.079 20 30 GGEDMM C=CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1ccco1 ZINC000819763699 1429688005 /nfs/dbraw/zinc/68/80/05/1429688005.db2.gz AMLGUQAOKPBMNT-UHFFFAOYSA-N -1 1 383.412 3.336 20 30 GGEDMM C[C@@H](CC#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735963523 1424000312 /nfs/dbraw/zinc/00/03/12/1424000312.db2.gz GLDOMCWXYXORPV-NSHDSACASA-N -1 1 382.811 3.344 20 30 GGEDMM N#Cc1ccccc1-c1ccc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826387128 1424021256 /nfs/dbraw/zinc/02/12/56/1424021256.db2.gz HKSOWBVUUPAPAM-UHFFFAOYSA-N -1 1 394.438 3.264 20 30 GGEDMM C#CCCCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823838213 1424028502 /nfs/dbraw/zinc/02/85/02/1424028502.db2.gz MFANMXCMYNMTCU-HNNXBMFYSA-N -1 1 376.445 3.360 20 30 GGEDMM Cc1cc(C#N)ccc1C(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000826257147 1424032227 /nfs/dbraw/zinc/03/22/27/1424032227.db2.gz POZMYTABQFPQQU-UHFFFAOYSA-N -1 1 384.399 3.487 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C)c2)c1 ZINC000157910268 1424117753 /nfs/dbraw/zinc/11/77/53/1424117753.db2.gz IXJVBILDFFKIRA-UHFFFAOYSA-N -1 1 388.489 3.499 20 30 GGEDMM Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000157943075 1424125283 /nfs/dbraw/zinc/12/52/83/1424125283.db2.gz WABAOWSELGDMQX-UHFFFAOYSA-N -1 1 380.429 3.248 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000819745464 1424135919 /nfs/dbraw/zinc/13/59/19/1424135919.db2.gz DYWXHVVCDUKUNG-UHFFFAOYSA-N -1 1 394.483 3.329 20 30 GGEDMM C=CCOc1ccc(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819759268 1424309148 /nfs/dbraw/zinc/30/91/48/1424309148.db2.gz RGYAGRKNQZVJCY-UHFFFAOYSA-N -1 1 382.445 3.270 20 30 GGEDMM N#CC1(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCCC1 ZINC000826379893 1429717724 /nfs/dbraw/zinc/71/77/24/1429717724.db2.gz GHXLXHSSAXGUFP-UHFFFAOYSA-N -1 1 390.403 3.295 20 30 GGEDMM Cc1c(Cl)cnc(N2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)c1C#N ZINC000826237947 1424389875 /nfs/dbraw/zinc/38/98/75/1424389875.db2.gz RBZDDYPXPLRZKP-UHFFFAOYSA-N -1 1 395.854 3.143 20 30 GGEDMM N#Cc1cc(NC(=O)CCc2ccc(Br)cc2)ccc1-c1nnn[n-]1 ZINC000822823620 1424476237 /nfs/dbraw/zinc/47/62/37/1424476237.db2.gz UVLZIXDGRNOMRT-UHFFFAOYSA-N -1 1 397.236 3.072 20 30 GGEDMM Cc1noc(C)c1[C@@H](C)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000159680582 1424523589 /nfs/dbraw/zinc/52/35/89/1424523589.db2.gz GDYKCRCAZAKAFI-NOZJJQNGSA-N -1 1 396.472 3.448 20 30 GGEDMM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000736504865 1424550120 /nfs/dbraw/zinc/55/01/20/1424550120.db2.gz ICKNPKQTVWYQAP-CQSZACIVSA-N -1 1 392.488 3.440 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)CCC(=O)N2C ZINC000823958847 1424646576 /nfs/dbraw/zinc/64/65/76/1424646576.db2.gz YYNVWTKIWQFINL-UHFFFAOYSA-N -1 1 395.854 3.265 20 30 GGEDMM C=CCCOCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000161515178 1424697695 /nfs/dbraw/zinc/69/76/95/1424697695.db2.gz AGVNYYKBCPSJGC-UHFFFAOYSA-N -1 1 391.449 3.400 20 30 GGEDMM N#Cc1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1C(F)(F)F ZINC000822830242 1424736597 /nfs/dbraw/zinc/73/65/97/1424736597.db2.gz YSCJDCPXAJLNOZ-UHFFFAOYSA-N -1 1 387.325 3.079 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)OCCCC#N ZINC000180129350 1429749974 /nfs/dbraw/zinc/74/99/74/1429749974.db2.gz RGTUMQAJLXRQFR-UHFFFAOYSA-N -1 1 376.409 3.396 20 30 GGEDMM Cc1ccc(C#N)cc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737305280 1429750308 /nfs/dbraw/zinc/75/03/08/1429750308.db2.gz GKLKOWAVYXQPTN-UHFFFAOYSA-N -1 1 376.420 3.235 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1OC ZINC000819759301 1424791032 /nfs/dbraw/zinc/79/10/32/1424791032.db2.gz SRFGHSVILCJNDU-LUAWRHEFSA-N -1 1 391.431 3.400 20 30 GGEDMM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820005362 1424834380 /nfs/dbraw/zinc/83/43/80/1424834380.db2.gz OPORAHMIQMYPPC-UHFFFAOYSA-N -1 1 382.811 3.188 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)COc1ccccc1 ZINC000819744085 1424858319 /nfs/dbraw/zinc/85/83/19/1424858319.db2.gz VUKKBQMJEQAMLQ-MRXNPFEDSA-N -1 1 377.448 3.096 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1noc(-c2ccccc2)n1 ZINC000180148457 1429761297 /nfs/dbraw/zinc/76/12/97/1429761297.db2.gz ZPIAQKYANQGSDS-NSHDSACASA-N -1 1 388.836 3.301 20 30 GGEDMM Cc1ccc(-c2ncc(C=NNCc3ccc(-c4nn[n-]n4)cc3)s2)cc1 ZINC000822213825 1424912005 /nfs/dbraw/zinc/91/20/05/1424912005.db2.gz CGBZALJTOLUSQU-UHFFFAOYSA-N -1 1 375.461 3.422 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2ccc(F)cc2Br)o1 ZINC000820202828 1424975601 /nfs/dbraw/zinc/97/56/01/1424975601.db2.gz MQAJYANNRJJLBJ-UHFFFAOYSA-N -1 1 394.208 3.326 20 30 GGEDMM C#CCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000735374981 1424982775 /nfs/dbraw/zinc/98/27/75/1424982775.db2.gz HJONWWOWUGLJEX-UHFFFAOYSA-N -1 1 382.811 3.457 20 30 GGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000819897852 1425021026 /nfs/dbraw/zinc/02/10/26/1425021026.db2.gz ARTOICMFVQSPOB-GOSISDBHSA-N -1 1 390.447 3.114 20 30 GGEDMM CCOC(=O)c1ccc(C#N)c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736602277 1425025756 /nfs/dbraw/zinc/02/57/56/1425025756.db2.gz GSHXJOASGZASIJ-NSHDSACASA-N -1 1 380.433 3.163 20 30 GGEDMM N#Cc1cc(NC(=O)c2csc(-c3ccc(F)cc3)n2)ccc1-c1nn[n-]n1 ZINC000737708850 1425044846 /nfs/dbraw/zinc/04/48/46/1425044846.db2.gz HFRYUITVDGLBHM-UHFFFAOYSA-N -1 1 391.391 3.253 20 30 GGEDMM N#CC1CCN(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000737678553 1425046583 /nfs/dbraw/zinc/04/65/83/1425046583.db2.gz JVIHUICKDKFBOJ-UHFFFAOYSA-N -1 1 389.419 3.426 20 30 GGEDMM O=[N+]([O-])c1ccc2[nH]cc(C=NNc3ccc(-c4nnn[n-]4)c(Cl)c3)c2c1 ZINC000826499348 1425050674 /nfs/dbraw/zinc/05/06/74/1425050674.db2.gz FQSWWUBYGKRBEM-UHFFFAOYSA-N -1 1 382.771 3.356 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nc(C2CCCCC2)no1 ZINC000164020942 1425069671 /nfs/dbraw/zinc/06/96/71/1425069671.db2.gz MEPGPMDZXIOOJH-LBPRGKRZSA-N -1 1 392.456 3.309 20 30 GGEDMM Fc1ccc2c(c1)C(=NNc1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)CO2 ZINC000737667264 1425072067 /nfs/dbraw/zinc/07/20/67/1425072067.db2.gz OKBSHWSOTCXOBU-UHFFFAOYSA-N -1 1 378.289 3.233 20 30 GGEDMM C=CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1ccccn1 ZINC000819765383 1425088720 /nfs/dbraw/zinc/08/87/20/1425088720.db2.gz PEFSPMXSUBFTCV-UHFFFAOYSA-N -1 1 394.439 3.138 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)c1ccncc1 ZINC000819743473 1425131585 /nfs/dbraw/zinc/13/15/85/1425131585.db2.gz KFZOOLMFAVKZFQ-GOSISDBHSA-N -1 1 377.452 3.111 20 30 GGEDMM C=CCCOCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823899548 1425141434 /nfs/dbraw/zinc/14/14/34/1425141434.db2.gz YAQDVJLWHFAZSK-HNNXBMFYSA-N -1 1 377.448 3.304 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1CSc1nc2c(c(C)c1C#N)CCC2 ZINC000826173511 1425147755 /nfs/dbraw/zinc/14/77/55/1425147755.db2.gz HMCQWWRNWKDUJG-UHFFFAOYSA-N -1 1 378.461 3.231 20 30 GGEDMM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Nc2ccc(C#N)nn2)cc1 ZINC000826176535 1425210405 /nfs/dbraw/zinc/21/04/05/1425210405.db2.gz TUSRTJMWWDLTGZ-UHFFFAOYSA-N -1 1 386.375 3.073 20 30 GGEDMM CSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1F ZINC000737192034 1425326933 /nfs/dbraw/zinc/32/69/33/1425326933.db2.gz GPGIIPDSJKENQH-SNAWJCMRSA-N -1 1 380.408 3.272 20 30 GGEDMM O=C1C(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)CSc2ccc(F)cc21 ZINC000738288702 1425337740 /nfs/dbraw/zinc/33/77/40/1425337740.db2.gz DUTOXTKGRMDLPR-VZUCSPMQSA-N -1 1 378.392 3.026 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826359818 1425371787 /nfs/dbraw/zinc/37/17/87/1425371787.db2.gz RCBFSFIVABEROZ-VQHVLOKHSA-N -1 1 399.389 3.174 20 30 GGEDMM COc1ccc(-c2n[nH]cc2C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821732873 1425373704 /nfs/dbraw/zinc/37/37/04/1425373704.db2.gz WFUPLQOIKGEOHV-RVDMUPIBSA-N -1 1 398.426 3.478 20 30 GGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819898346 1425383537 /nfs/dbraw/zinc/38/35/37/1425383537.db2.gz FIGWNKSGTUVOEG-KRWDZBQOSA-N -1 1 376.420 3.327 20 30 GGEDMM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000819729482 1425420033 /nfs/dbraw/zinc/42/00/33/1425420033.db2.gz HDACORGOGKLANZ-GFCCVEGCSA-N -1 1 380.408 3.364 20 30 GGEDMM O=C1c2cc(Br)ccc2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475680 1425435348 /nfs/dbraw/zinc/43/53/48/1425435348.db2.gz MZFDQPGLZKACFW-YRNVUSSQSA-N -1 1 383.205 3.288 20 30 GGEDMM C=C(C)CN(CC)C(=O)CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735397752 1425441085 /nfs/dbraw/zinc/44/10/85/1425441085.db2.gz DGPRNIXVWHLODN-UHFFFAOYSA-N -1 1 392.463 3.496 20 30 GGEDMM C=CCC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819734188 1425486441 /nfs/dbraw/zinc/48/64/41/1425486441.db2.gz JVAUOOMVJCFXBY-MAUKXSAKSA-N -1 1 377.448 3.458 20 30 GGEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1Cl ZINC000826401523 1425500150 /nfs/dbraw/zinc/50/01/50/1425500150.db2.gz BBVMUDCELYSOMN-YVMONPNESA-N -1 1 395.850 3.253 20 30 GGEDMM C=CCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC000819743781 1425510004 /nfs/dbraw/zinc/51/00/04/1425510004.db2.gz PVZKOHGSLPDOQJ-UHFFFAOYSA-N -1 1 380.427 3.023 20 30 GGEDMM CC(C)(C#N)c1ccccc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824059482 1425567961 /nfs/dbraw/zinc/56/79/61/1425567961.db2.gz XLPBOGLVEVWXLS-FQEVSTJZSA-N -1 1 388.475 3.241 20 30 GGEDMM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)o2)cc1 ZINC000735498296 1425584497 /nfs/dbraw/zinc/58/44/97/1425584497.db2.gz XWLSHBNYNCCBSI-UHFFFAOYSA-N -1 1 398.382 3.453 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000823909995 1425586764 /nfs/dbraw/zinc/58/67/64/1425586764.db2.gz VOMYKXWYITVXPP-APWZRJJASA-N -1 1 383.496 3.223 20 30 GGEDMM C=CCOc1ccccc1C(=O)Nc1nc(Cc2n[n-]c(=S)n2C)cs1 ZINC000171476738 1425697872 /nfs/dbraw/zinc/69/78/72/1425697872.db2.gz HATDLXJARALSAO-UHFFFAOYSA-N -1 1 387.490 3.342 20 30 GGEDMM C(=NOCc1cccnc1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823868143 1425703543 /nfs/dbraw/zinc/70/35/43/1425703543.db2.gz OPWNSWBMZJRXGK-UHFFFAOYSA-N -1 1 386.415 3.391 20 30 GGEDMM N#CCCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000171594902 1425752553 /nfs/dbraw/zinc/75/25/53/1425752553.db2.gz GYGVHADHVNTXGI-UHFFFAOYSA-N -1 1 393.415 3.189 20 30 GGEDMM C#Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)nc1 ZINC000735390077 1425760018 /nfs/dbraw/zinc/76/00/18/1425760018.db2.gz NTKCBVDQSUUVRK-UHFFFAOYSA-N -1 1 382.383 3.288 20 30 GGEDMM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1cccc(C#N)c1 ZINC000820373434 1425834290 /nfs/dbraw/zinc/83/42/90/1425834290.db2.gz HLWNTOCZZUQBEA-JTQLQIEISA-N -1 1 399.361 3.222 20 30 GGEDMM CCN(C[C@@H](C)C#N)C(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736512915 1425846154 /nfs/dbraw/zinc/84/61/54/1425846154.db2.gz MJLOYFMYJTTZBF-HNNXBMFYSA-N -1 1 390.447 3.067 20 30 GGEDMM C=CCn1c(=O)c2ccccc2nc1SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819766234 1425862424 /nfs/dbraw/zinc/86/24/24/1425862424.db2.gz WEYZDGUUIFGWKW-UHFFFAOYSA-N -1 1 394.435 3.194 20 30 GGEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc(-c2ccncc2)cs1 ZINC000172088093 1425893968 /nfs/dbraw/zinc/89/39/68/1425893968.db2.gz IMEDHGLPPNCCPN-CYBMUJFWSA-N -1 1 376.397 3.026 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000172123968 1425904613 /nfs/dbraw/zinc/90/46/13/1425904613.db2.gz XWURMJKVPBSUCQ-QGZVFWFLSA-N -1 1 382.445 3.395 20 30 GGEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735963113 1425908506 /nfs/dbraw/zinc/90/85/06/1425908506.db2.gz ALAPOHZZWBRYBF-LBPRGKRZSA-N -1 1 380.383 3.172 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(C)c1ccccc1OC ZINC000735418532 1425975224 /nfs/dbraw/zinc/97/52/24/1425975224.db2.gz FAMFQVBSPYSZFZ-SSZFMOIBSA-N -1 1 389.459 3.493 20 30 GGEDMM C#CCOc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735388188 1426016478 /nfs/dbraw/zinc/01/64/78/1426016478.db2.gz STHUPXUARSWJRT-UHFFFAOYSA-N -1 1 386.337 3.344 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000172590992 1426102358 /nfs/dbraw/zinc/10/23/58/1426102358.db2.gz JJUUTXOCOSWKOR-UHFFFAOYSA-N -1 1 397.500 3.223 20 30 GGEDMM Cc1cc(C(=O)N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000172591179 1426102485 /nfs/dbraw/zinc/10/24/85/1426102485.db2.gz ALLFLXFGUKWCJD-UHFFFAOYSA-N -1 1 383.473 3.212 20 30 GGEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1)C1CC1 ZINC000172592213 1426103713 /nfs/dbraw/zinc/10/37/13/1426103713.db2.gz SWZBIVWAITVTRJ-UHFFFAOYSA-N -1 1 383.473 3.178 20 30 GGEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1csc(-c2cnccn2)n1 ZINC000172667714 1426135622 /nfs/dbraw/zinc/13/56/22/1426135622.db2.gz LLACQLYHBXITHR-LBPRGKRZSA-N -1 1 383.820 3.215 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCC(C)(C)C#N)cc1 ZINC000826255218 1426165585 /nfs/dbraw/zinc/16/55/85/1426165585.db2.gz PMTZOIUVIKBDHI-UHFFFAOYSA-N -1 1 376.420 3.247 20 30 GGEDMM CN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736816484 1426169759 /nfs/dbraw/zinc/16/97/59/1426169759.db2.gz JKMGOBIZRPHDQZ-UHFFFAOYSA-N -1 1 399.361 3.004 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccc(C)cc1 ZINC000735418605 1426184543 /nfs/dbraw/zinc/18/45/43/1426184543.db2.gz HOQROEIDAJOMOP-UHFFFAOYSA-N -1 1 376.464 3.115 20 30 GGEDMM COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)no2)cc1-c1nnn[n-]1 ZINC000737083288 1426193967 /nfs/dbraw/zinc/19/39/67/1426193967.db2.gz ONSVGXKQXLIFFS-UHFFFAOYSA-N -1 1 396.798 3.025 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000822135891 1426218801 /nfs/dbraw/zinc/21/88/01/1426218801.db2.gz GMKBKPLVTGEJRL-AWEZNQCLSA-N -1 1 376.420 3.342 20 30 GGEDMM Cc1cc(C#N)ccc1COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826256842 1426338902 /nfs/dbraw/zinc/33/89/02/1426338902.db2.gz CFRKSFWMESJSRY-UHFFFAOYSA-N -1 1 387.321 3.423 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)s1 ZINC000822823662 1426382410 /nfs/dbraw/zinc/38/24/10/1426382410.db2.gz XCAJACJFRJONSX-UHFFFAOYSA-N -1 1 389.400 3.239 20 30 GGEDMM N#CCCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000737685920 1426451966 /nfs/dbraw/zinc/45/19/66/1426451966.db2.gz GCCGVDKQXCBKKD-UHFFFAOYSA-N -1 1 382.424 3.045 20 30 GGEDMM CC(C)CO[C@@H]1CC(N=Nc2oc(CC(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC000735839354 1426456880 /nfs/dbraw/zinc/45/68/80/1426456880.db2.gz QLDNHPIUJBEJHQ-CYBMUJFWSA-N -1 1 375.477 3.292 20 30 GGEDMM CCCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1OC ZINC000736462455 1426472494 /nfs/dbraw/zinc/47/24/94/1426472494.db2.gz BYXNQMAVQRHMGU-UHFFFAOYSA-N -1 1 392.419 3.178 20 30 GGEDMM C#CCOc1cc(F)ccc1NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819701337 1426501251 /nfs/dbraw/zinc/50/12/51/1426501251.db2.gz DCHUSLQXMDEYTQ-UHFFFAOYSA-N -1 1 386.774 3.315 20 30 GGEDMM C[C@H](Nc1c(C#N)cnc2c(F)ccc(F)c21)c1ccc(-c2nnn[n-]2)cc1 ZINC000736139420 1426507682 /nfs/dbraw/zinc/50/76/82/1426507682.db2.gz QNKYJVWQBLZFNO-JTQLQIEISA-N -1 1 377.358 3.160 20 30 GGEDMM N#CCOc1ccc(Cl)cc1CNC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826382272 1426544246 /nfs/dbraw/zinc/54/42/46/1426544246.db2.gz WMYZBYLKQBFFFW-UHFFFAOYSA-N -1 1 380.839 3.201 20 30 GGEDMM N#Cc1cc(NC(=O)c2csc(-c3ccccc3F)n2)ccc1-c1nn[n-]n1 ZINC000737709406 1426553566 /nfs/dbraw/zinc/55/35/66/1426553566.db2.gz KKMFOPCKHIXOSQ-UHFFFAOYSA-N -1 1 391.391 3.253 20 30 GGEDMM Cc1csc([C@H](C#N)C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826319959 1426559130 /nfs/dbraw/zinc/55/91/30/1426559130.db2.gz APABPVUHKHDQSF-SNVBAGLBSA-N -1 1 390.881 3.254 20 30 GGEDMM Cn1cc(C=NNc2cccc3ncccc32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360702 1426567120 /nfs/dbraw/zinc/56/71/20/1426567120.db2.gz UVVDXQNETJVULX-UHFFFAOYSA-N -1 1 395.430 3.261 20 30 GGEDMM Cc1ccc(SCCSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1C ZINC000737369802 1426580967 /nfs/dbraw/zinc/58/09/67/1426580967.db2.gz WVRNUKQFEPITHF-UHFFFAOYSA-N -1 1 383.506 3.217 20 30 GGEDMM Cc1cc(C(=O)O[C@H](C)c2ccc(C#N)cc2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260854 1426593127 /nfs/dbraw/zinc/59/31/27/1426593127.db2.gz HJKOPIVKQCQQKI-CQSZACIVSA-N -1 1 399.414 3.151 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccnc(Cl)c1 ZINC000823909378 1426625313 /nfs/dbraw/zinc/62/53/13/1426625313.db2.gz AWZMXXGIDKSRRE-SREVYHEPSA-N -1 1 380.839 3.143 20 30 GGEDMM O=C1c2cc(Br)ccc2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475679 1426632817 /nfs/dbraw/zinc/63/28/17/1426632817.db2.gz MZFDQPGLZKACFW-XFFZJAGNSA-N -1 1 383.205 3.288 20 30 GGEDMM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)S1 ZINC000826307870 1426717963 /nfs/dbraw/zinc/71/79/63/1426717963.db2.gz ZJNRYPRZUVAJOP-OQLLNIDSSA-N -1 1 380.408 3.206 20 30 GGEDMM CC(C)[C@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735690138 1426729468 /nfs/dbraw/zinc/72/94/68/1426729468.db2.gz HMPZERRHZRVGGG-FQEVSTJZSA-N -1 1 376.420 3.327 20 30 GGEDMM N#CCC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000826380460 1426763204 /nfs/dbraw/zinc/76/32/04/1426763204.db2.gz BHDVXWKKSFYWRC-UHFFFAOYSA-N -1 1 379.346 3.043 20 30 GGEDMM C#CCCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000819692379 1426775102 /nfs/dbraw/zinc/77/51/02/1426775102.db2.gz FAFYPIHSNFHKCR-UHFFFAOYSA-N -1 1 392.438 3.131 20 30 GGEDMM N#CCOc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737696244 1426818165 /nfs/dbraw/zinc/81/81/65/1426818165.db2.gz PMTVAGQEOCBVII-UHFFFAOYSA-N -1 1 387.325 3.234 20 30 GGEDMM C[C@@H](Nc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)c1ccc(C#N)cc1 ZINC000736139989 1426860621 /nfs/dbraw/zinc/86/06/21/1426860621.db2.gz SJLYGLAOCOHGQC-SNVBAGLBSA-N -1 1 377.358 3.160 20 30 GGEDMM CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825332625 1426888134 /nfs/dbraw/zinc/88/81/34/1426888134.db2.gz KPFOEUFCXOWWOT-UHFFFAOYSA-N -1 1 387.447 3.496 20 30 GGEDMM N#C[C@@H](C(=O)CCC1CCOCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000173916559 1426890842 /nfs/dbraw/zinc/89/08/42/1426890842.db2.gz ZAINSVVSKGHMAQ-AWEZNQCLSA-N -1 1 385.489 3.246 20 30 GGEDMM C[C@@H]1CC[C@@H](CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)O1 ZINC000173916454 1426890857 /nfs/dbraw/zinc/89/08/57/1426890857.db2.gz FPGKWOMOEDARSB-MBNYWOFBSA-N -1 1 385.489 3.387 20 30 GGEDMM N#CCc1ccc(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)cc1 ZINC000826382702 1426926053 /nfs/dbraw/zinc/92/60/53/1426926053.db2.gz RDMJDPJAMKMGJG-UHFFFAOYSA-N -1 1 387.428 3.309 20 30 GGEDMM C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824498419 1426953721 /nfs/dbraw/zinc/95/37/21/1426953721.db2.gz GZHZDEIXEBPROS-RDTXWAMCSA-N -1 1 375.436 3.272 20 30 GGEDMM N#C[C@@H](C(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccn1 ZINC000737674993 1426977551 /nfs/dbraw/zinc/97/75/51/1426977551.db2.gz XWBCPKYHJATNOF-GOSISDBHSA-N -1 1 381.399 3.495 20 30 GGEDMM Cc1c(Cl)cccc1N=C1SCCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737215497 1426977882 /nfs/dbraw/zinc/97/78/82/1426977882.db2.gz JRRDKAXVPUPBGG-UHFFFAOYSA-N -1 1 399.867 3.100 20 30 GGEDMM C=CCN(Cc1ccccc1F)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819745415 1427005643 /nfs/dbraw/zinc/00/56/43/1427005643.db2.gz BTBGWOFGQUYZAQ-UHFFFAOYSA-N -1 1 395.438 3.378 20 30 GGEDMM N#Cc1ccc(Cl)cc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822826290 1427016441 /nfs/dbraw/zinc/01/64/41/1427016441.db2.gz VZOOPLLFYZKDHD-UHFFFAOYSA-N -1 1 379.767 3.021 20 30 GGEDMM N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000822832723 1427021289 /nfs/dbraw/zinc/02/12/89/1427021289.db2.gz FLBCVJYQNWNEBJ-UHFFFAOYSA-N -1 1 384.355 3.145 20 30 GGEDMM Cc1cccnc1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822366836 1427218881 /nfs/dbraw/zinc/21/88/81/1427218881.db2.gz VGGDTAKGZKDOAZ-AWEZNQCLSA-N -1 1 387.428 3.184 20 30 GGEDMM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000735399099 1427225972 /nfs/dbraw/zinc/22/59/72/1427225972.db2.gz IKXDVMCNSUVHOC-UHFFFAOYSA-N -1 1 391.416 3.165 20 30 GGEDMM N#Cc1csc(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1 ZINC000822842309 1427227536 /nfs/dbraw/zinc/22/75/36/1427227536.db2.gz BFUVTZSDABIHRY-UHFFFAOYSA-N -1 1 392.469 3.458 20 30 GGEDMM Cc1ccc([C@H]2OCCC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000822233681 1427228437 /nfs/dbraw/zinc/22/84/37/1427228437.db2.gz SSNGMACDGDFCEW-RTBURBONSA-N -1 1 388.431 3.153 20 30 GGEDMM COc1cc(C#N)ccc1CSc1nc2c(c(C)c1-c1nnn[n-]1)CCC2 ZINC000826176743 1427246302 /nfs/dbraw/zinc/24/63/02/1427246302.db2.gz BJEIJJWZAOZLJI-UHFFFAOYSA-N -1 1 378.461 3.231 20 30 GGEDMM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820486609 1427285421 /nfs/dbraw/zinc/28/54/21/1427285421.db2.gz BXYWSINCZVWDBX-KUHUBIRLSA-N -1 1 388.431 3.012 20 30 GGEDMM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820294521 1427310036 /nfs/dbraw/zinc/31/00/36/1427310036.db2.gz UGVQCNWPGXQFAH-NSHDSACASA-N -1 1 382.424 3.244 20 30 GGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000174736896 1427339981 /nfs/dbraw/zinc/33/99/81/1427339981.db2.gz WYLZIFITUVRCNC-UHFFFAOYSA-N -1 1 398.488 3.090 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1-c1ccc(C#N)cc1 ZINC000822014870 1427352178 /nfs/dbraw/zinc/35/21/78/1427352178.db2.gz ANDSAOFQNXNSQQ-SOFGYWHQSA-N -1 1 387.428 3.190 20 30 GGEDMM N#Cc1ccc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)s1 ZINC000822826230 1427360808 /nfs/dbraw/zinc/36/08/08/1427360808.db2.gz VFNINDLLNWMRQY-QPEQYQDCSA-N -1 1 396.482 3.206 20 30 GGEDMM C=CCOc1ccc(OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819759028 1427366438 /nfs/dbraw/zinc/36/64/38/1427366438.db2.gz LQBXTOKPCHPYPV-LJQANCHMSA-N -1 1 391.431 3.006 20 30 GGEDMM C[C@H](OC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824706957 1427454522 /nfs/dbraw/zinc/45/45/22/1427454522.db2.gz MNYDDLWVGRLCJR-ZDUSSCGKSA-N -1 1 377.404 3.200 20 30 GGEDMM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826221513 1427506285 /nfs/dbraw/zinc/50/62/85/1427506285.db2.gz JGRPHPVDDIGKCF-CLFYSBASSA-N -1 1 375.363 3.459 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735973370 1427533602 /nfs/dbraw/zinc/53/36/02/1427533602.db2.gz GPDHQTPFUPZSAK-CYBMUJFWSA-N -1 1 394.460 3.278 20 30 GGEDMM Cn1cc(C=NNc2cccc(Cl)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360384 1427535442 /nfs/dbraw/zinc/53/54/42/1427535442.db2.gz INZXDCBQCDPVQI-UHFFFAOYSA-N -1 1 378.827 3.367 20 30 GGEDMM Cc1sc2ncnc(N=NC(C)c3ccc(-c4nnn[n-]4)c(F)c3)c2c1C ZINC000823962174 1427543949 /nfs/dbraw/zinc/54/39/49/1427543949.db2.gz HBHWNGDXQSDHDG-UHFFFAOYSA-N -1 1 382.428 3.463 20 30 GGEDMM CC(=NNc1ncnc2sc(C)c(C)c21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962174 1427543955 /nfs/dbraw/zinc/54/39/55/1427543955.db2.gz HBHWNGDXQSDHDG-UHFFFAOYSA-N -1 1 382.428 3.463 20 30 GGEDMM CC(=NNc1ncnc2sc(C)c(C)c21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962174 1427543957 /nfs/dbraw/zinc/54/39/57/1427543957.db2.gz HBHWNGDXQSDHDG-UHFFFAOYSA-N -1 1 382.428 3.463 20 30 GGEDMM N#Cc1c2c(sc1NC(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000737705560 1427550533 /nfs/dbraw/zinc/55/05/33/1427550533.db2.gz PQQVRACFAXIIEO-UHFFFAOYSA-N -1 1 382.474 3.019 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)c2c(Cl)nc3ccccn32)o1 ZINC000735451113 1427568270 /nfs/dbraw/zinc/56/82/70/1427568270.db2.gz PEASYXAEJRVJEE-UHFFFAOYSA-N -1 1 385.819 3.115 20 30 GGEDMM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCC#Cc2ccc(Cl)cc2)n1 ZINC000821343837 1427570546 /nfs/dbraw/zinc/57/05/46/1427570546.db2.gz VPSPYYALGQRWQN-UHFFFAOYSA-N -1 1 399.863 3.236 20 30 GGEDMM C=CCCC(=O)COC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823888463 1427571087 /nfs/dbraw/zinc/57/10/87/1427571087.db2.gz NEJNHAVCGQQMQG-UHFFFAOYSA-N -1 1 392.415 3.138 20 30 GGEDMM CC(C)c1ccccc1OCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824352776 1427582915 /nfs/dbraw/zinc/58/29/15/1427582915.db2.gz MUZMSIJJLILNQG-UHFFFAOYSA-N -1 1 376.420 3.269 20 30 GGEDMM CCCCCCC[C@@H](C)CNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821049260 1427643698 /nfs/dbraw/zinc/64/36/98/1427643698.db2.gz JQTOSIVODWQDKV-CQSZACIVSA-N -1 1 386.500 3.226 20 30 GGEDMM C=CCOc1ccc(-c2nnc(SCc3ccnc(-c4nnn[n-]4)c3)o2)cc1 ZINC000823932195 1427646708 /nfs/dbraw/zinc/64/67/08/1427646708.db2.gz RRXHMXHMIMVOCL-UHFFFAOYSA-N -1 1 393.432 3.169 20 30 GGEDMM CCCCCCCCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736446402 1427650031 /nfs/dbraw/zinc/65/00/31/1427650031.db2.gz AQFKSJZHXLFRMQ-UHFFFAOYSA-N -1 1 399.543 3.487 20 30 GGEDMM CC(C)(C#N)c1ccccc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000819891980 1427768601 /nfs/dbraw/zinc/76/86/01/1427768601.db2.gz OKZCWOWEXVGJCP-UHFFFAOYSA-N -1 1 375.432 3.344 20 30 GGEDMM CC(C)(C#N)c1ccccc1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824059483 1427855176 /nfs/dbraw/zinc/85/51/76/1427855176.db2.gz XLPBOGLVEVWXLS-HXUWFJFHSA-N -1 1 388.475 3.241 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nnn1-c1ccc(C)cc1 ZINC000826281076 1427856222 /nfs/dbraw/zinc/85/62/22/1427856222.db2.gz CNJRPDLJVFOSIN-POHAHGRESA-N -1 1 389.394 3.099 20 30 GGEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745533 1427868856 /nfs/dbraw/zinc/86/88/56/1427868856.db2.gz HVLNJLRGLNNWIB-HNNXBMFYSA-N -1 1 387.447 3.197 20 30 GGEDMM N#C[C@@H](C(=O)NC1CCCCC1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379310 1427950366 /nfs/dbraw/zinc/95/03/66/1427950366.db2.gz OLQGAMUSYWSEAB-HNNXBMFYSA-N -1 1 393.476 3.046 20 30 GGEDMM Cc1cc(Cl)cc2c1OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737265819 1427970807 /nfs/dbraw/zinc/97/08/07/1427970807.db2.gz ZVFPUHQLXAEDSH-XGICHPGQSA-N -1 1 392.806 3.135 20 30 GGEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735874198 1427978434 /nfs/dbraw/zinc/97/84/34/1427978434.db2.gz OHPKNCBOTHHMRP-UHFFFAOYSA-N -1 1 379.399 3.320 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1ccc(C#N)cc1 ZINC000826234137 1427990072 /nfs/dbraw/zinc/99/00/72/1427990072.db2.gz JMIBXLYJZVEJOR-DHZHZOJOSA-N -1 1 381.399 3.129 20 30 GGEDMM CC(C)c1nc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c2ccccn21 ZINC000824358474 1427993832 /nfs/dbraw/zinc/99/38/32/1427993832.db2.gz KZTJSKUKKUYGJI-UHFFFAOYSA-N -1 1 393.455 3.369 20 30 GGEDMM C#CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000823838768 1428046694 /nfs/dbraw/zinc/04/66/94/1428046694.db2.gz UJGHDWMCBPWGBK-AWEZNQCLSA-N -1 1 398.373 3.354 20 30 GGEDMM CC(C)[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000176045263 1428046853 /nfs/dbraw/zinc/04/68/53/1428046853.db2.gz XKRBZMIWZJWLBG-QGZVFWFLSA-N -1 1 376.409 3.331 20 30 GGEDMM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000736822415 1428062445 /nfs/dbraw/zinc/06/24/45/1428062445.db2.gz NBBXDIUXRJUCML-UHFFFAOYSA-N -1 1 383.868 3.221 20 30 GGEDMM N#C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000176084722 1428073547 /nfs/dbraw/zinc/07/35/47/1428073547.db2.gz CYMJPSBVMGWXBV-KRWDZBQOSA-N -1 1 392.383 3.225 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2cn(-c3ccccc3)nc2C(C)(C)C)o1 ZINC000822424482 1428074475 /nfs/dbraw/zinc/07/44/75/1428074475.db2.gz VTLVKBLSRGIDPE-UHFFFAOYSA-N -1 1 391.439 3.092 20 30 GGEDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000822218103 1428092221 /nfs/dbraw/zinc/09/22/21/1428092221.db2.gz XGNBARXVGYGGIW-HKUYNNGSSA-N -1 1 387.447 3.479 20 30 GGEDMM Cc1nn(-c2ccc(-c3nnn[n-]3)cc2)c(NC(=O)c2ccc(C#N)cc2C)c1C ZINC000826257045 1428137495 /nfs/dbraw/zinc/13/74/95/1428137495.db2.gz LLKIKNPSBQULEL-UHFFFAOYSA-N -1 1 398.430 3.102 20 30 GGEDMM C=CCN(CC1CCCCC1)C(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000735416834 1428199757 /nfs/dbraw/zinc/19/97/57/1428199757.db2.gz RNLCXHHGAKWQPB-UHFFFAOYSA-N -1 1 398.511 3.112 20 30 GGEDMM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1C1CC1 ZINC000825081851 1429786733 /nfs/dbraw/zinc/78/67/33/1429786733.db2.gz NWHBEPQXQYXZCB-LLVKDONJSA-N -1 1 376.424 3.036 20 30 GGEDMM Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000180453387 1429872915 /nfs/dbraw/zinc/87/29/15/1429872915.db2.gz JFYAUJCGCMRTFO-UHFFFAOYSA-N -1 1 380.429 3.248 20 30 GGEDMM Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)n2)cc1 ZINC000826273866 1429879736 /nfs/dbraw/zinc/87/97/36/1429879736.db2.gz XQXYYBKXIKUEES-LBPRGKRZSA-N -1 1 375.417 3.117 20 30 GGEDMM N#C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCN1Cc1ccccc1 ZINC000180540230 1429893455 /nfs/dbraw/zinc/89/34/55/1429893455.db2.gz VOLSBRQCMATCPA-MRXNPFEDSA-N -1 1 389.377 3.261 20 30 GGEDMM C=CC1CCN(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000735409857 1429938337 /nfs/dbraw/zinc/93/83/37/1429938337.db2.gz MWUNKFXTUUNFOT-UHFFFAOYSA-N -1 1 386.525 3.034 20 30 GGEDMM Cc1cc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)nn1CCC#N ZINC000826270651 1429939606 /nfs/dbraw/zinc/93/96/06/1429939606.db2.gz JHVSJDCLFPDFRQ-UHFFFAOYSA-N -1 1 398.430 3.205 20 30 GGEDMM N#Cc1cccnc1Oc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737728056 1429941275 /nfs/dbraw/zinc/94/12/75/1429941275.db2.gz XCMDQKQCWXKKMU-UHFFFAOYSA-N -1 1 399.414 3.417 20 30 GGEDMM N#Cc1ccc(C2=CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000826385065 1429960202 /nfs/dbraw/zinc/96/02/02/1429960202.db2.gz VQYVZMQXPNKNLF-UHFFFAOYSA-N -1 1 387.472 3.224 20 30 GGEDMM C=CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OCC)cc1OC ZINC000823931851 1429962283 /nfs/dbraw/zinc/96/22/83/1429962283.db2.gz HVOVNWIUQDWNKY-UHFFFAOYSA-N -1 1 381.436 3.451 20 30 GGEDMM CC[C@H](C#N)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000825038781 1429964404 /nfs/dbraw/zinc/96/44/04/1429964404.db2.gz IDEGRFUBGIFGQQ-OAHLLOKOSA-N -1 1 378.461 3.191 20 30 GGEDMM Cc1ccc(CC(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000826286761 1429971403 /nfs/dbraw/zinc/97/14/03/1429971403.db2.gz PIULEUOAOFEBMB-HNNXBMFYSA-N -1 1 390.428 3.311 20 30 GGEDMM N#Cc1cc(F)ccc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826384075 1430042198 /nfs/dbraw/zinc/04/21/98/1430042198.db2.gz GBLASHFWMYXAHX-UHFFFAOYSA-N -1 1 379.399 3.075 20 30 GGEDMM Cc1c(Cl)cnc(N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1-c1nnn[n-]1 ZINC000826237729 1430068725 /nfs/dbraw/zinc/06/87/25/1430068725.db2.gz JNXDXBTZNJHQIG-GDBMZVCRSA-N -1 1 379.855 3.500 20 30 GGEDMM C#CC[C@@H](NCc1ccc(-c2nnn[n-]2)cc1Br)c1ccccc1 ZINC000823839121 1430089833 /nfs/dbraw/zinc/08/98/33/1430089833.db2.gz ZRHUKURTUKHSDB-QGZVFWFLSA-N -1 1 382.265 3.483 20 30 GGEDMM Clc1ccccc1C#CCN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826353415 1430090477 /nfs/dbraw/zinc/09/04/77/1430090477.db2.gz OFASTLISPOIZIW-UHFFFAOYSA-N -1 1 393.878 3.415 20 30 GGEDMM N#Cc1cc(NC(=O)c2csc(-c3cccs3)n2)ccc1-c1nn[n-]n1 ZINC000737708603 1430091765 /nfs/dbraw/zinc/09/17/65/1430091765.db2.gz FAZIAIGSKQMZOS-UHFFFAOYSA-N -1 1 379.430 3.176 20 30 GGEDMM C[C@H]1CCc2c(sc(NC(=O)Cc3cccc(C#N)c3)c2-c2nn[n-]n2)C1 ZINC000820727871 1430095422 /nfs/dbraw/zinc/09/54/22/1430095422.db2.gz PXGGWFKFHZUUDO-NSHDSACASA-N -1 1 378.461 3.106 20 30 GGEDMM N#Cc1ccc(F)c(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1 ZINC000826385290 1430137199 /nfs/dbraw/zinc/13/71/99/1430137199.db2.gz FSTDZDDLPIYDMZ-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM CN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1cc(Cl)ccc1C#N ZINC000821570987 1430138468 /nfs/dbraw/zinc/13/84/68/1430138468.db2.gz UTKCLWJOWUFALA-UHFFFAOYSA-N -1 1 398.879 3.288 20 30 GGEDMM C=C(C)COc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402166 1430139814 /nfs/dbraw/zinc/13/98/14/1430139814.db2.gz KSCHZLQMDSNFDS-AWEZNQCLSA-N -1 1 379.420 3.228 20 30 GGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000822923806 1430154305 /nfs/dbraw/zinc/15/43/05/1430154305.db2.gz UWBPZJXIZKCDKN-FPYGCLRLSA-N -1 1 395.850 3.253 20 30 GGEDMM CC(C)(C#N)COC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824059203 1430158920 /nfs/dbraw/zinc/15/89/20/1430158920.db2.gz OVVKGYINWJXQCJ-UHFFFAOYSA-N -1 1 377.404 3.152 20 30 GGEDMM N#CCC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381670 1430203185 /nfs/dbraw/zinc/20/31/85/1430203185.db2.gz UMSXAOSLJDWUDU-KRWDZBQOSA-N -1 1 378.461 3.120 20 30 GGEDMM C=CCCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735409291 1430212140 /nfs/dbraw/zinc/21/21/40/1430212140.db2.gz YFBDQZGFKNXEAE-LLVKDONJSA-N -1 1 389.481 3.034 20 30 GGEDMM Oc1ccc(Br)cc1C=NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738396479 1430224991 /nfs/dbraw/zinc/22/49/91/1430224991.db2.gz HUJVDFCHJXPUDR-LSCVHKIXSA-N -1 1 376.189 3.093 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C#N)cc2)ccc1F ZINC000181821710 1430367183 /nfs/dbraw/zinc/36/71/83/1430367183.db2.gz DKJXEYSFATXBLO-UHFFFAOYSA-N -1 1 376.409 3.394 20 30 GGEDMM COCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)c2C1 ZINC000182016972 1430396946 /nfs/dbraw/zinc/39/69/46/1430396946.db2.gz QVKBDANILNKJJQ-UHFFFAOYSA-N -1 1 385.489 3.020 20 30 GGEDMM CC[C@@H](CC#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000183809690 1430799316 /nfs/dbraw/zinc/79/93/16/1430799316.db2.gz XTSMPOZZMJZPEM-HNNXBMFYSA-N -1 1 389.452 3.357 20 30 GGEDMM CC[C@@H](CC#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000183829584 1430802189 /nfs/dbraw/zinc/80/21/89/1430802189.db2.gz HYMRJJYISSRLID-HNNXBMFYSA-N -1 1 375.425 3.049 20 30 GGEDMM N#CC1(COC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CCC1 ZINC000183923308 1430813910 /nfs/dbraw/zinc/81/39/10/1430813910.db2.gz YZYZXDHFMVISMT-UHFFFAOYSA-N -1 1 388.420 3.477 20 30 GGEDMM [O-]c1c(O)ccc(/C=N/c2ccc(Cc3nnc4n3CCCCC4)cc2)c1O ZINC000184742770 1430962107 /nfs/dbraw/zinc/96/21/07/1430962107.db2.gz PPTOOOPHWMKHCD-LPYMAVHISA-N -1 1 378.432 3.463 20 30 GGEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1 ZINC000184881304 1431011397 /nfs/dbraw/zinc/01/13/97/1431011397.db2.gz HHLIKFARJZMDSR-OAHLLOKOSA-N -1 1 375.421 3.023 20 30 GGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000184891548 1431014442 /nfs/dbraw/zinc/01/44/42/1431014442.db2.gz TXUAVBZVAFNTTM-CQSZACIVSA-N -1 1 390.436 3.222 20 30 GGEDMM C#C[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000185333997 1431117652 /nfs/dbraw/zinc/11/76/52/1431117652.db2.gz BSZKWIIPHHSDIP-LBPRGKRZSA-N -1 1 396.390 3.258 20 30 GGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000185636326 1431190806 /nfs/dbraw/zinc/19/08/06/1431190806.db2.gz OETBVHLUXPCDEZ-UHFFFAOYSA-N -1 1 378.360 3.182 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC2CC2)cc1 ZINC000187075647 1431607125 /nfs/dbraw/zinc/60/71/25/1431607125.db2.gz OLKRKZQHTORHAC-UHFFFAOYSA-N -1 1 381.457 3.048 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[O-] ZINC000187986056 1431833620 /nfs/dbraw/zinc/83/36/20/1431833620.db2.gz OITOEPYFZPQDHX-AWEZNQCLSA-N -1 1 396.422 3.077 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1[O-] ZINC000189177613 1432058328 /nfs/dbraw/zinc/05/83/28/1432058328.db2.gz LNTDPPRPODDAFI-OAHLLOKOSA-N -1 1 390.226 3.106 20 30 GGEDMM COC(=O)[C@@](C)(NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000189222215 1432065668 /nfs/dbraw/zinc/06/56/68/1432065668.db2.gz LRGJTYASQABCLS-SFHVURJKSA-N -1 1 393.226 3.389 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[O-] ZINC000189223466 1432066040 /nfs/dbraw/zinc/06/60/40/1432066040.db2.gz FQCIUJHAVRGKPC-AWEZNQCLSA-N -1 1 375.350 3.291 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[O-] ZINC000189793989 1432237149 /nfs/dbraw/zinc/23/71/49/1432237149.db2.gz PQTRAEXIGMFUGZ-UHFFFAOYSA-N -1 1 375.350 3.245 20 30 GGEDMM CSc1nnc(CCCNC(=O)c2ccc(C#N)c([O-])c2)n1C1CCCC1 ZINC000190059642 1432312367 /nfs/dbraw/zinc/31/23/67/1432312367.db2.gz RLMABQJITLXRGA-UHFFFAOYSA-N -1 1 385.493 3.055 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1[O-] ZINC000190105321 1432320338 /nfs/dbraw/zinc/32/03/38/1432320338.db2.gz GERUYTFQOVUOKK-GOSISDBHSA-N -1 1 378.432 3.080 20 30 GGEDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 ZINC000192128550 1432802890 /nfs/dbraw/zinc/80/28/90/1432802890.db2.gz LBMCFYWFBMQQSY-AWEZNQCLSA-N -1 1 392.502 3.126 20 30 GGEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(Cl)c3)cc2C[C@H]1C ZINC000192584236 1432862942 /nfs/dbraw/zinc/86/29/42/1432862942.db2.gz BKJMFTFPFXQLPI-LLVKDONJSA-N -1 1 389.864 3.310 20 30 GGEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000193676327 1433038888 /nfs/dbraw/zinc/03/88/88/1433038888.db2.gz NTKOKCPGQPSHPE-UHFFFAOYSA-N -1 1 387.443 3.123 20 30 GGEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(F)c(F)c(F)c2)C1=O ZINC000194361264 1433166795 /nfs/dbraw/zinc/16/67/95/1433166795.db2.gz AOZYOSIQPREZEV-SFHVURJKSA-N -1 1 385.386 3.420 20 30 GGEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(F)c(F)c(F)c2)C1=O ZINC000194361256 1433166804 /nfs/dbraw/zinc/16/68/04/1433166804.db2.gz AOZYOSIQPREZEV-GOSISDBHSA-N -1 1 385.386 3.420 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C)CC#N)c2)c1 ZINC000194669741 1433213536 /nfs/dbraw/zinc/21/35/36/1433213536.db2.gz GBMZNGPVOLKROD-CYBMUJFWSA-N -1 1 391.880 3.481 20 30 GGEDMM Cc1ccc(C(=O)N[C@H](C)CC#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000194671397 1433213842 /nfs/dbraw/zinc/21/38/42/1433213842.db2.gz CMUVDLNJUFBMKP-CYBMUJFWSA-N -1 1 391.880 3.481 20 30 GGEDMM Cc1ccc(C(=O)N[C@@H](C)CC#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000194671381 1433213891 /nfs/dbraw/zinc/21/38/91/1433213891.db2.gz CMUVDLNJUFBMKP-ZDUSSCGKSA-N -1 1 391.880 3.481 20 30 GGEDMM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)[C@H](C#N)c1ccccn1 ZINC000248768182 1433821385 /nfs/dbraw/zinc/82/13/85/1433821385.db2.gz OTBVURDMBYGXNQ-VQIMIIECSA-N -1 1 397.500 3.443 20 30 GGEDMM CCOc1cc(N2CCN(C)CC2)ccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000255903184 1433891473 /nfs/dbraw/zinc/89/14/73/1433891473.db2.gz DEHUVLPSXIYBGK-UHFFFAOYSA-N -1 1 384.436 3.202 20 30 GGEDMM C=CCCO[C@H](C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000263756291 1434029822 /nfs/dbraw/zinc/02/98/22/1434029822.db2.gz FYHZXHYXYGYBKW-MRXNPFEDSA-N -1 1 388.489 3.085 20 30 GGEDMM C=C1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)CC1 ZINC000264180686 1434078769 /nfs/dbraw/zinc/07/87/69/1434078769.db2.gz OBNBJWVNSKRDJU-UHFFFAOYSA-N -1 1 386.473 3.288 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N[C@@H](C#N)C(C)C)c2)cc1F ZINC000264705065 1434146488 /nfs/dbraw/zinc/14/64/88/1434146488.db2.gz DHDBUNASXYQJCQ-SFHVURJKSA-N -1 1 389.452 3.213 20 30 GGEDMM CCN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000267393260 1434428718 /nfs/dbraw/zinc/42/87/18/1434428718.db2.gz NXWVLGPGZWHVSC-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000271926807 1434859769 /nfs/dbraw/zinc/85/97/69/1434859769.db2.gz VPAFOLDJXIPRSW-UHFFFAOYSA-N -1 1 398.484 3.493 20 30 GGEDMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000277612209 1435316340 /nfs/dbraw/zinc/31/63/40/1435316340.db2.gz VHZCCLWARXRDRZ-QGZVFWFLSA-N -1 1 379.464 3.026 20 30 GGEDMM C=CC[C@H](C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1)c1ccccc1 ZINC000277855331 1435336465 /nfs/dbraw/zinc/33/64/65/1435336465.db2.gz XSOAGMVFSUJSOJ-KRWDZBQOSA-N -1 1 382.464 3.047 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1C(=O)N1CCCCC1 ZINC000278645199 1435409594 /nfs/dbraw/zinc/40/95/94/1435409594.db2.gz ZPEVHXKEDQPGKT-UHFFFAOYSA-N -1 1 383.473 3.294 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000279815972 1435546762 /nfs/dbraw/zinc/54/67/62/1435546762.db2.gz AMIFQNWNAYILGL-KRWDZBQOSA-N -1 1 382.445 3.281 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000279815973 1435546884 /nfs/dbraw/zinc/54/68/84/1435546884.db2.gz AMIFQNWNAYILGL-QGZVFWFLSA-N -1 1 382.445 3.281 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000279898981 1435559801 /nfs/dbraw/zinc/55/98/01/1435559801.db2.gz ISYHSYHWHRVMTJ-OALUTQOASA-N -1 1 386.473 3.236 20 30 GGEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1)C1CC1 ZINC000280019099 1435577679 /nfs/dbraw/zinc/57/76/79/1435577679.db2.gz UQETXCHEZYUBBJ-UHFFFAOYSA-N -1 1 383.473 3.064 20 30 GGEDMM N#Cc1ccc(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1Cl ZINC000281410832 1435807747 /nfs/dbraw/zinc/80/77/47/1435807747.db2.gz PPAHFHVBDPNSCA-UHFFFAOYSA-N -1 1 388.777 3.134 20 30 GGEDMM C=C(C)Cn1c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)nnc1C(C)(C)C ZINC000282956863 1435867604 /nfs/dbraw/zinc/86/76/04/1435867604.db2.gz NUSALDSJVMKGNE-UHFFFAOYSA-N -1 1 387.450 3.047 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735505832 1441456342 /nfs/dbraw/zinc/45/63/42/1441456342.db2.gz UAIIARWDGHTJCK-ZDUSSCGKSA-N -1 1 393.476 3.169 20 30 GGEDMM CC(C)(C#N)CNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824059514 1441460551 /nfs/dbraw/zinc/46/05/51/1441460551.db2.gz ZGHUVHYQMLDQRR-UHFFFAOYSA-N -1 1 377.408 3.330 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1-c1nn[n-]n1 ZINC000737717959 1441466127 /nfs/dbraw/zinc/46/61/27/1441466127.db2.gz COFXKWBPURMGEY-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000824753625 1441467463 /nfs/dbraw/zinc/46/74/63/1441467463.db2.gz FYXBDXOTFCYHDJ-MGPLVRAMSA-N -1 1 378.889 3.055 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC#Cc1cccc(Cl)c1 ZINC000820001325 1441479310 /nfs/dbraw/zinc/47/93/10/1441479310.db2.gz JEMWISQJKFINNE-UHFFFAOYSA-N -1 1 396.834 3.272 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000819758898 1441481655 /nfs/dbraw/zinc/48/16/55/1441481655.db2.gz JEEDBTUKIWBJNH-WEVVVXLNSA-N -1 1 395.394 3.231 20 30 GGEDMM O=C(OCC#Cc1ccccc1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000738218433 1441487183 /nfs/dbraw/zinc/48/71/83/1441487183.db2.gz DNGSWBLFVDYXBA-UHFFFAOYSA-N -1 1 397.394 3.263 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(C(F)(F)F)cc1 ZINC000737810362 1441509195 /nfs/dbraw/zinc/50/91/95/1441509195.db2.gz ZCFBNHTZKVNCKZ-VOTSOKGWSA-N -1 1 384.321 3.429 20 30 GGEDMM CC(C)(C)OC(=O)Nc1ccc(C=NNc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000819946598 1441518619 /nfs/dbraw/zinc/51/86/19/1441518619.db2.gz OUYMBGPWFDTUIZ-UHFFFAOYSA-N -1 1 380.412 3.055 20 30 GGEDMM C#CC[C@@H](NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)c1ccccc1 ZINC000823837899 1441520447 /nfs/dbraw/zinc/52/04/47/1441520447.db2.gz IKGWSVXVXMFCJY-OAQYLSRUSA-N -1 1 398.470 3.430 20 30 GGEDMM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000821154072 1441568710 /nfs/dbraw/zinc/56/87/10/1441568710.db2.gz IIXZDOWKJIAUOV-LLVKDONJSA-N -1 1 382.374 3.240 20 30 GGEDMM N#CCC1(COC(=O)c2cccc(COc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000822806063 1441576095 /nfs/dbraw/zinc/57/60/95/1441576095.db2.gz ILQQVVNDZRFKIN-UHFFFAOYSA-N -1 1 389.415 3.296 20 30 GGEDMM C=CCCOCCCCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823899074 1441578782 /nfs/dbraw/zinc/57/87/82/1441578782.db2.gz KIHJEEZXESWCNH-UHFFFAOYSA-N -1 1 394.819 3.130 20 30 GGEDMM N#CCCCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000822806685 1441581114 /nfs/dbraw/zinc/58/11/14/1441581114.db2.gz RDPGLDFBWAREGB-UHFFFAOYSA-N -1 1 388.435 3.149 20 30 GGEDMM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1C(F)(F)F ZINC000735552777 1441595757 /nfs/dbraw/zinc/59/57/57/1441595757.db2.gz YZHTZDKCOJVUGC-SNVBAGLBSA-N -1 1 386.337 3.499 20 30 GGEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735425772 1441603538 /nfs/dbraw/zinc/60/35/38/1441603538.db2.gz GKRKYJINUQVDKL-UHFFFAOYSA-N -1 1 397.370 3.134 20 30 GGEDMM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824514585 1441625931 /nfs/dbraw/zinc/62/59/31/1441625931.db2.gz OWNFNFSSBYEZAI-ZDUSSCGKSA-N -1 1 383.415 3.224 20 30 GGEDMM C[C@@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735502248 1441700353 /nfs/dbraw/zinc/70/03/53/1441700353.db2.gz CSOZNXZXDOFAEM-ZDUSSCGKSA-N -1 1 377.408 3.282 20 30 GGEDMM N#CCCCOc1cccc(NCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822805746 1441718201 /nfs/dbraw/zinc/71/82/01/1441718201.db2.gz BOSPFVMAECWTGD-UHFFFAOYSA-N -1 1 378.436 3.430 20 30 GGEDMM CCCCc1ccc(NC(=O)C=NOCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000736465599 1441738621 /nfs/dbraw/zinc/73/86/21/1441738621.db2.gz GVIGLSWHRRZWTH-UHFFFAOYSA-N -1 1 396.426 3.490 20 30 GGEDMM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000820678809 1441756833 /nfs/dbraw/zinc/75/68/33/1441756833.db2.gz YOMSPHUXEXACQY-SHYRYGCCSA-N -1 1 384.509 3.278 20 30 GGEDMM COc1ccc(C=CC(=O)c2cnn(-c3ccccc3)c2C)cc1-c1nnn[n-]1 ZINC000737081106 1441795892 /nfs/dbraw/zinc/79/58/92/1441795892.db2.gz KOBCFLKZKOYKSK-CSKARUKUSA-N -1 1 386.415 3.266 20 30 GGEDMM N#C[C@H](C(=O)C1CCSCC1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737670482 1441801867 /nfs/dbraw/zinc/80/18/67/1441801867.db2.gz CBYKFAIZZRZFSW-CQSZACIVSA-N -1 1 396.501 3.310 20 30 GGEDMM C=C(C)[C@H](CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)OCC ZINC000823874755 1441803302 /nfs/dbraw/zinc/80/33/02/1441803302.db2.gz YPPPOKAWFXUPDI-KRWDZBQOSA-N -1 1 394.435 3.364 20 30 GGEDMM N#Cc1ccc(NC(=O)CCCOc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737715627 1441804187 /nfs/dbraw/zinc/80/41/87/1441804187.db2.gz CIYJOWSIOBWQSI-UHFFFAOYSA-N -1 1 382.811 3.189 20 30 GGEDMM Cc1nn(-c2ccccc2)c(C)c1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826332380 1441822944 /nfs/dbraw/zinc/82/29/44/1441822944.db2.gz SEEPEMMVZUUJMG-UHFFFAOYSA-N -1 1 393.842 3.164 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cccc(O)c1 ZINC000735420748 1441842314 /nfs/dbraw/zinc/84/23/14/1441842314.db2.gz RWTMIOXNNDWRFZ-CQSZACIVSA-N -1 1 378.436 3.031 20 30 GGEDMM Cc1cc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc(C)c1Cl ZINC000822210949 1441844817 /nfs/dbraw/zinc/84/48/17/1441844817.db2.gz YHYVMVHEQKDNHC-UHFFFAOYSA-N -1 1 382.811 3.026 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2nc3cc(Cl)ccc3n2C)o1 ZINC000824280231 1441849685 /nfs/dbraw/zinc/84/96/85/1441849685.db2.gz HLTGCUXSZXAGAL-UHFFFAOYSA-N -1 1 399.846 3.039 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccc(C#N)cc1 ZINC000822015792 1441863739 /nfs/dbraw/zinc/86/37/39/1441863739.db2.gz ORAJQQFYNDUPDH-TWGQIWQCSA-N -1 1 399.389 3.268 20 30 GGEDMM C#CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OCC ZINC000823856779 1441864280 /nfs/dbraw/zinc/86/42/80/1441864280.db2.gz XYGACXRLIRSYSZ-WEVVVXLNSA-N -1 1 392.390 3.313 20 30 GGEDMM CC(C)(C#N)COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000824058660 1441886820 /nfs/dbraw/zinc/88/68/20/1441886820.db2.gz ABNFWLAQOBKSPW-UHFFFAOYSA-N -1 1 377.404 3.152 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000823914121 1441907872 /nfs/dbraw/zinc/90/78/72/1441907872.db2.gz AQQKWFOKSZDQMU-MRXNPFEDSA-N -1 1 396.476 3.003 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000819743557 1441922446 /nfs/dbraw/zinc/92/24/46/1441922446.db2.gz LYBWDHGIAGWZTP-NFBKMPQASA-N -1 1 385.471 3.285 20 30 GGEDMM C=CCCCN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735412693 1441923641 /nfs/dbraw/zinc/92/36/41/1441923641.db2.gz JCVFISPLHYCYMW-UHFFFAOYSA-N -1 1 377.448 3.484 20 30 GGEDMM CC(C)N(CCC#N)C(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735858766 1441923896 /nfs/dbraw/zinc/92/38/96/1441923896.db2.gz CZABYFZYYBYNGO-UHFFFAOYSA-N -1 1 375.436 3.375 20 30 GGEDMM CC(N=Nc1ncnc2sc3c(c21)CCC3)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962152 1441950773 /nfs/dbraw/zinc/95/07/73/1441950773.db2.gz GGYGVICHDMVLGY-UHFFFAOYSA-N -1 1 394.439 3.335 20 30 GGEDMM CC(=NNc1ncnc2sc3c(c21)CCC3)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962152 1441950776 /nfs/dbraw/zinc/95/07/76/1441950776.db2.gz GGYGVICHDMVLGY-UHFFFAOYSA-N -1 1 394.439 3.335 20 30 GGEDMM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000824324091 1441968915 /nfs/dbraw/zinc/96/89/15/1441968915.db2.gz GIXHVTIEIGYYNG-UHFFFAOYSA-N -1 1 388.431 3.461 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1SCCc2ccccc21 ZINC000819743783 1441969306 /nfs/dbraw/zinc/96/93/06/1441969306.db2.gz PYFYZEIJMJXQMZ-IBGZPJMESA-N -1 1 391.500 3.412 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820032129 1442008333 /nfs/dbraw/zinc/00/83/33/1442008333.db2.gz LKPCSSZLTVTZOP-SFHVURJKSA-N -1 1 395.394 3.024 20 30 GGEDMM CC(C)CN(C(=O)Cc1ccc(OCC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819092 1442018143 /nfs/dbraw/zinc/01/81/43/1442018143.db2.gz RPSQMPQCVGAVMB-UHFFFAOYSA-N -1 1 390.447 3.001 20 30 GGEDMM N#Cc1ccc(CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826384636 1442034219 /nfs/dbraw/zinc/03/42/19/1442034219.db2.gz CUHVTZUDYMUNGK-UHFFFAOYSA-N -1 1 387.428 3.043 20 30 GGEDMM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737330720 1442036724 /nfs/dbraw/zinc/03/67/24/1442036724.db2.gz NUVJWNZCDHPWDD-UHFFFAOYSA-N -1 1 383.415 3.398 20 30 GGEDMM C[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824513595 1442040909 /nfs/dbraw/zinc/04/09/09/1442040909.db2.gz CVQFRJLLKBUOMO-CQSZACIVSA-N -1 1 395.426 3.291 20 30 GGEDMM Cc1cccnc1CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C(F)(F)F ZINC000826307984 1442132565 /nfs/dbraw/zinc/13/25/65/1442132565.db2.gz DNDACLZYZAGALM-UHFFFAOYSA-N -1 1 396.764 3.191 20 30 GGEDMM N#CC1(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCCCC1 ZINC000737678715 1442137338 /nfs/dbraw/zinc/13/73/38/1442137338.db2.gz LXZJYVMLCOJDFR-UHFFFAOYSA-N -1 1 389.419 3.010 20 30 GGEDMM CC(C)COc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735838498 1442146973 /nfs/dbraw/zinc/14/69/73/1442146973.db2.gz RNDXZEVSGNIPGM-RMKNXTFCSA-N -1 1 388.431 3.445 20 30 GGEDMM Cc1c(C(=O)C=Cc2cnn(-c3ccccc3)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201662 1442156079 /nfs/dbraw/zinc/15/60/79/1442156079.db2.gz FZAXJXJZUIOHOR-MDZDMXLPSA-N -1 1 385.431 3.005 20 30 GGEDMM C#CCOCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C(C)(C)C)C2 ZINC000823856785 1442167744 /nfs/dbraw/zinc/16/77/44/1442167744.db2.gz YGJBJFIRINZFPG-LBPRGKRZSA-N -1 1 387.509 3.058 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000735436944 1442195819 /nfs/dbraw/zinc/19/58/19/1442195819.db2.gz VEUIEGUVWRBMLI-WUXMJOGZSA-N -1 1 391.431 3.116 20 30 GGEDMM COc1ccc(C=C2COc3c(C)cc(Cl)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737084744 1442198647 /nfs/dbraw/zinc/19/86/47/1442198647.db2.gz UUPHGYHJVYBENZ-SDQBBNPISA-N -1 1 382.807 3.496 20 30 GGEDMM FC(F)(F)c1cc(NN=Cc2n[nH]nc2-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000826368645 1442199331 /nfs/dbraw/zinc/19/93/31/1442199331.db2.gz XNJQHTXJLAIWNV-UHFFFAOYSA-N -1 1 399.340 3.117 20 30 GGEDMM COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737115971 1442200999 /nfs/dbraw/zinc/20/09/99/1442200999.db2.gz SSVLZGOBYRHVNE-AWEZNQCLSA-N -1 1 388.431 3.196 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1c(C)nn(-c2ccccc2)c1C ZINC000819773195 1442244454 /nfs/dbraw/zinc/24/44/54/1442244454.db2.gz RSMCYOYEAVRRAK-UHFFFAOYSA-N -1 1 386.463 3.183 20 30 GGEDMM Cn1ccnc1COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822698813 1442289974 /nfs/dbraw/zinc/28/99/74/1442289974.db2.gz GMXWJNMPEKAIRJ-SOFGYWHQSA-N -1 1 392.444 3.137 20 30 GGEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ncc(Br)s1 ZINC000826401483 1442352460 /nfs/dbraw/zinc/35/24/60/1442352460.db2.gz ZYBWIZJOCWCJKZ-RQOWECAXSA-N -1 1 380.202 3.121 20 30 GGEDMM N#Cc1cnc2c(F)cc(F)cc2c1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822842575 1442372528 /nfs/dbraw/zinc/37/25/28/1442372528.db2.gz OPKVOUNMLJYAQO-UHFFFAOYSA-N -1 1 393.357 3.056 20 30 GGEDMM N#Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)c[nH]1 ZINC000826383853 1442385851 /nfs/dbraw/zinc/38/58/51/1442385851.db2.gz UMIFMJSBQPQLPY-UHFFFAOYSA-N -1 1 389.350 3.250 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccccc2C#N)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826234388 1442386074 /nfs/dbraw/zinc/38/60/74/1442386074.db2.gz UAFDVHCFHYSSCG-DHZHZOJOSA-N -1 1 381.399 3.129 20 30 GGEDMM C=CCN(CC=C)C(=O)CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735418364 1442426555 /nfs/dbraw/zinc/42/65/55/1442426555.db2.gz CBAZINOUFITXND-UHFFFAOYSA-N -1 1 390.447 3.272 20 30 GGEDMM N#C[C@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822802076 1442459955 /nfs/dbraw/zinc/45/99/55/1442459955.db2.gz VBQXQPJVNDNXRJ-ZDUSSCGKSA-N -1 1 388.412 3.043 20 30 GGEDMM N#Cc1csc(C=C2SC(=S)N(c3ccccc3-c3nnn[n-]3)C2=O)c1 ZINC000822846112 1442474707 /nfs/dbraw/zinc/47/47/07/1442474707.db2.gz PAFOADINXMBMHV-MLPAPPSSSA-N -1 1 396.482 3.206 20 30 GGEDMM N#C[C@@H](C(=O)Cc1ccco1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379188 1442491890 /nfs/dbraw/zinc/49/18/90/1442491890.db2.gz LJMUZGRYCKQBHH-AWEZNQCLSA-N -1 1 376.401 3.002 20 30 GGEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1ccc(F)cc1N(C)C ZINC000819782230 1443067010 /nfs/dbraw/zinc/06/70/10/1443067010.db2.gz IGTUJARTANTDAH-UHFFFAOYSA-N -1 1 386.435 3.193 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822800913 1443087242 /nfs/dbraw/zinc/08/72/42/1443087242.db2.gz AUMNOTWTLXUQHI-RTWAWAEBSA-N -1 1 388.475 3.407 20 30 GGEDMM CCN(C(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000825377100 1443138627 /nfs/dbraw/zinc/13/86/27/1443138627.db2.gz SVVYBDJKRKXOOS-UHFFFAOYSA-N -1 1 378.461 3.025 20 30 GGEDMM Cc1c(C#N)cccc1NC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826234468 1443141844 /nfs/dbraw/zinc/14/18/44/1443141844.db2.gz XYHYCENVSCCAPI-UHFFFAOYSA-N -1 1 385.431 3.368 20 30 GGEDMM CC(C)[C@](C)(C#N)NC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735693280 1443153218 /nfs/dbraw/zinc/15/32/18/1443153218.db2.gz YPOSTDBIGVXQOV-NRFANRHFSA-N -1 1 390.447 3.114 20 30 GGEDMM Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)n2)cc1 ZINC000826273832 1443164729 /nfs/dbraw/zinc/16/47/29/1443164729.db2.gz WJMRRPROOQRMIF-ZDUSSCGKSA-N -1 1 375.417 3.117 20 30 GGEDMM Cn1nc(-c2ccccc2)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000737618304 1443166742 /nfs/dbraw/zinc/16/67/42/1443166742.db2.gz FGIAHKJOYGTSDH-UHFFFAOYSA-N -1 1 378.827 3.367 20 30 GGEDMM C=CCc1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c(OC)c1 ZINC000819759041 1443191383 /nfs/dbraw/zinc/19/13/83/1443191383.db2.gz MGDSZKPSZUFJCZ-UHFFFAOYSA-N -1 1 399.838 3.275 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820032379 1443229321 /nfs/dbraw/zinc/22/93/21/1443229321.db2.gz MWLZHNDKICROMB-QGZVFWFLSA-N -1 1 396.838 3.434 20 30 GGEDMM N#Cc1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1C(F)(F)F ZINC000737718261 1443229674 /nfs/dbraw/zinc/22/96/74/1443229674.db2.gz NCGUQWFWTRDYKQ-UHFFFAOYSA-N -1 1 399.380 3.084 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Br)cc1 ZINC000737807080 1443232662 /nfs/dbraw/zinc/23/26/62/1443232662.db2.gz NPDYZXYVZWXZIX-SREVYHEPSA-N -1 1 395.220 3.173 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1c1cccc(OC)c1 ZINC000735419514 1443267888 /nfs/dbraw/zinc/26/78/88/1443267888.db2.gz UFDFJTJYKGXSRP-PMACEKPBSA-N -1 1 389.459 3.194 20 30 GGEDMM C#CCOc1ccc(C(=O)N(CC(C)C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735381551 1443271179 /nfs/dbraw/zinc/27/11/79/1443271179.db2.gz VRLVGJXRWCSVNN-UHFFFAOYSA-N -1 1 375.432 3.182 20 30 GGEDMM N#CC1(c2ccc(C(=O)OCc3ccc(Cl)cc3-c3nnn[n-]3)cc2)CC1 ZINC000826380516 1443277225 /nfs/dbraw/zinc/27/72/25/1443277225.db2.gz CSDCDXSVYGVUIO-UHFFFAOYSA-N -1 1 379.807 3.432 20 30 GGEDMM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000820554987 1443342263 /nfs/dbraw/zinc/34/22/63/1443342263.db2.gz CZSQPSWRLRCQNN-AWEZNQCLSA-N -1 1 378.461 3.294 20 30 GGEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1Cn1cccn1 ZINC000821770884 1443375409 /nfs/dbraw/zinc/37/54/09/1443375409.db2.gz YWMRBWQDZUBQDZ-UITAMQMPSA-N -1 1 386.415 3.016 20 30 GGEDMM CC[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825081885 1443384481 /nfs/dbraw/zinc/38/44/81/1443384481.db2.gz OCVYOQRARTVFDN-CYBMUJFWSA-N -1 1 376.420 3.269 20 30 GGEDMM N#Cc1csc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826387544 1443393220 /nfs/dbraw/zinc/39/32/20/1443393220.db2.gz APYUXZRVOJTBIB-UHFFFAOYSA-N -1 1 382.840 3.251 20 30 GGEDMM N#C[C@H](NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000826380386 1443444834 /nfs/dbraw/zinc/44/48/34/1443444834.db2.gz YLOCDLQRJJUCEN-HNNXBMFYSA-N -1 1 394.822 3.344 20 30 GGEDMM CC(C)c1ccc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1[N+](=O)[O-] ZINC000824347922 1443450334 /nfs/dbraw/zinc/45/03/34/1443450334.db2.gz SRUJUTPYWNMRNP-UHFFFAOYSA-N -1 1 386.803 3.393 20 30 GGEDMM N#Cc1cc(NC(=O)CCc2ccccc2Br)ccc1-c1nnn[n-]1 ZINC000737710325 1443459326 /nfs/dbraw/zinc/45/93/26/1443459326.db2.gz XAYQBPWJZLYPMG-UHFFFAOYSA-N -1 1 397.236 3.072 20 30 GGEDMM Cc1c(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822084813 1443470500 /nfs/dbraw/zinc/47/05/00/1443470500.db2.gz PURFFZXWKHYZLB-IEBWSBKVSA-N -1 1 387.447 3.479 20 30 GGEDMM COc1ccc(CON=Cc2ccccc2Br)cc1-c1nnn[n-]1 ZINC000826207034 1443489379 /nfs/dbraw/zinc/48/93/79/1443489379.db2.gz XKMLXCSRAMLFTM-UHFFFAOYSA-N -1 1 388.225 3.189 20 30 GGEDMM Cc1cc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)ccc1C(C)C ZINC000737278754 1443493909 /nfs/dbraw/zinc/49/39/09/1443493909.db2.gz LPWXKKMZQNKBDO-UHFFFAOYSA-N -1 1 376.420 3.188 20 30 GGEDMM CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820882331 1443517267 /nfs/dbraw/zinc/51/72/67/1443517267.db2.gz PJPSKZWLEVYENG-NHYWBVRUSA-N -1 1 394.460 3.403 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822802232 1443535279 /nfs/dbraw/zinc/53/52/79/1443535279.db2.gz XPDAJCLNOIUNBU-WMZOPIPTSA-N -1 1 391.410 3.309 20 30 GGEDMM N#CCCCOc1cccc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737688497 1443553446 /nfs/dbraw/zinc/55/34/46/1443553446.db2.gz UVRIMKCHUPVAIN-UHFFFAOYSA-N -1 1 381.371 3.332 20 30 GGEDMM N#CC1(c2ccc(COC(=O)CSc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000826381012 1443561562 /nfs/dbraw/zinc/56/15/62/1443561562.db2.gz UWCSHFSSULCFIS-UHFFFAOYSA-N -1 1 391.456 3.257 20 30 GGEDMM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(F)c(-c4nnn[n-]4)c3)S2)c1 ZINC000826299640 1443572769 /nfs/dbraw/zinc/57/27/69/1443572769.db2.gz NYPCNYSALHAHBZ-DHDCSXOGSA-N -1 1 380.408 3.206 20 30 GGEDMM COc1ccc(Cl)cc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826208343 1443633137 /nfs/dbraw/zinc/63/31/37/1443633137.db2.gz GDBDOVBLLYSFQT-UHFFFAOYSA-N -1 1 378.223 3.413 20 30 GGEDMM CCCc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1C1CCCC1 ZINC000825348036 1443644274 /nfs/dbraw/zinc/64/42/74/1443644274.db2.gz AXSKUBCHVIQKIY-UHFFFAOYSA-N -1 1 390.451 3.255 20 30 GGEDMM Cc1c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)sc2nccc(C)c12 ZINC000737446398 1443657160 /nfs/dbraw/zinc/65/71/60/1443657160.db2.gz VYNIGYATQLJJCF-UHFFFAOYSA-N -1 1 375.417 3.217 20 30 GGEDMM C=CCOc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1 ZINC000819759422 1443662085 /nfs/dbraw/zinc/66/20/85/1443662085.db2.gz XHPCZGAJNLWMJD-UHFFFAOYSA-N -1 1 379.420 3.471 20 30 GGEDMM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000826304775 1443676002 /nfs/dbraw/zinc/67/60/02/1443676002.db2.gz XQQCWVNCYXLMRJ-LJQANCHMSA-N -1 1 397.442 3.173 20 30 GGEDMM N#Cc1ccc(N2CC[C@@H](Sc3cccc(Cl)c3-c3nnn[n-]3)C2=O)cc1 ZINC000826385500 1443677429 /nfs/dbraw/zinc/67/74/29/1443677429.db2.gz PEBRVLOQKFAHOB-OAHLLOKOSA-N -1 1 396.863 3.289 20 30 GGEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(N2CCOCC2)cc1Cl ZINC000826401522 1443680711 /nfs/dbraw/zinc/68/07/11/1443680711.db2.gz BBVMUDCELYSOMN-VMPITWQZSA-N -1 1 395.850 3.253 20 30 GGEDMM C[C@H](C#N)CNC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824034051 1443687012 /nfs/dbraw/zinc/68/70/12/1443687012.db2.gz GJNOWEFZKCBYEX-KGLIPLIRSA-N -1 1 375.436 3.054 20 30 GGEDMM CC(C)(C)O[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824119347 1443697138 /nfs/dbraw/zinc/69/71/38/1443697138.db2.gz GDXJDXVAIHGRMJ-KRWDZBQOSA-N -1 1 376.420 3.233 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1OC ZINC000819758774 1443703667 /nfs/dbraw/zinc/70/36/67/1443703667.db2.gz HBGMYSOWHOVVPB-ZRDIBKRKSA-N -1 1 391.431 3.116 20 30 GGEDMM COc1cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cc(Cl)c1OC ZINC000826179016 1443705219 /nfs/dbraw/zinc/70/52/19/1443705219.db2.gz VBVZMXXIRQBOAP-UHFFFAOYSA-N -1 1 394.222 3.032 20 30 GGEDMM CC(C)(C)c1cc(NC(=O)COc2ccccc2C#N)c(-c2nnn[n-]2)s1 ZINC000824130853 1443747754 /nfs/dbraw/zinc/74/77/54/1443747754.db2.gz PRZJGBBHXIPLFA-UHFFFAOYSA-N -1 1 382.449 3.115 20 30 GGEDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000825627146 1443766550 /nfs/dbraw/zinc/76/65/50/1443766550.db2.gz VEDUUILMIIBUHZ-MRXNPFEDSA-N -1 1 391.435 3.432 20 30 GGEDMM N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826380651 1443771672 /nfs/dbraw/zinc/77/16/72/1443771672.db2.gz IROSDMPIMXLYDS-KDOFPFPSSA-N -1 1 389.419 3.473 20 30 GGEDMM C[C@H](CC#N)N(C)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820218985 1443772535 /nfs/dbraw/zinc/77/25/35/1443772535.db2.gz BPFVLEKBIYBFRT-CYBMUJFWSA-N -1 1 378.461 3.392 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1nc(C2CC2)sc1=S ZINC000819745586 1443774620 /nfs/dbraw/zinc/77/46/20/1443774620.db2.gz KYOXUUUITIHGRL-UHFFFAOYSA-N -1 1 385.522 3.377 20 30 GGEDMM Cc1c(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cccc1-c1nnn[n-]1 ZINC000822059450 1443776997 /nfs/dbraw/zinc/77/69/97/1443776997.db2.gz BLCULGZNIMCXQA-GOSISDBHSA-N -1 1 376.420 3.089 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(F)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359773 1443782862 /nfs/dbraw/zinc/78/28/62/1443782862.db2.gz PXUXECBQTOXDRQ-CLFYSBASSA-N -1 1 392.369 3.442 20 30 GGEDMM C[C@H](NCc1ccc(C#N)cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000824612309 1443820030 /nfs/dbraw/zinc/82/00/30/1443820030.db2.gz MSQTZYCBAXLKQN-NSHDSACASA-N -1 1 383.253 3.352 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000826253948 1443834186 /nfs/dbraw/zinc/83/41/86/1443834186.db2.gz MCXZFIAIOQEKSY-UHFFFAOYSA-N -1 1 387.321 3.423 20 30 GGEDMM C=C[C@H](CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883531 1443839425 /nfs/dbraw/zinc/83/94/25/1443839425.db2.gz SOZLTEYJJQAVQX-MRXNPFEDSA-N -1 1 377.448 3.206 20 30 GGEDMM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc(Cl)c1O ZINC000737043534 1443855352 /nfs/dbraw/zinc/85/53/52/1443855352.db2.gz XETYIAHRJGRGPI-WAYWQWQTSA-N -1 1 399.838 3.187 20 30 GGEDMM C=CCCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000819740265 1443884875 /nfs/dbraw/zinc/88/48/75/1443884875.db2.gz WUFXBITZSCNIBP-UHFFFAOYSA-N -1 1 375.436 3.421 20 30 GGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(Br)n1 ZINC000826475698 1443885281 /nfs/dbraw/zinc/88/52/81/1443885281.db2.gz NWWQQRAKZBBSDU-PKNBQFBNSA-N -1 1 382.221 3.237 20 30 GGEDMM Cc1c(Cl)cccc1NC(=S)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822034691 1443886353 /nfs/dbraw/zinc/88/63/53/1443886353.db2.gz JPAVVSFZQDKKKY-UHFFFAOYSA-N -1 1 377.886 3.211 20 30 GGEDMM N#C[C@H](C(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1)c1ccccn1 ZINC000737674995 1443896445 /nfs/dbraw/zinc/89/64/45/1443896445.db2.gz XWBCPKYHJATNOF-SFHVURJKSA-N -1 1 381.399 3.495 20 30 GGEDMM Cn1cc(C=C2Cc3c(cccc3F)C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360019 1443916479 /nfs/dbraw/zinc/91/64/79/1443916479.db2.gz VMMZNSPBVWGABJ-ZROIWOOFSA-N -1 1 386.390 3.229 20 30 GGEDMM Cn1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1-c1ccc(F)cc1 ZINC000737593206 1443916961 /nfs/dbraw/zinc/91/69/61/1443916961.db2.gz OSNLJIXVOQVRBT-UHFFFAOYSA-N -1 1 387.378 3.135 20 30 GGEDMM N#Cc1ccc(S[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(F)c1 ZINC000826385992 1443920784 /nfs/dbraw/zinc/92/07/84/1443920784.db2.gz KRNNWNMBRJMFMV-KRWDZBQOSA-N -1 1 394.435 3.165 20 30 GGEDMM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000820554988 1443930602 /nfs/dbraw/zinc/93/06/02/1443930602.db2.gz CZSQPSWRLRCQNN-CQSZACIVSA-N -1 1 378.461 3.294 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC(C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000824135253 1443940319 /nfs/dbraw/zinc/94/03/19/1443940319.db2.gz COJIIBCVAWMPGC-ZDUSSCGKSA-N -1 1 395.467 3.395 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(C)c1cccc(OC)c1 ZINC000819744040 1443970524 /nfs/dbraw/zinc/97/05/24/1443970524.db2.gz UMELWTYVKDXBJM-VBKFSLOCSA-N -1 1 389.459 3.493 20 30 GGEDMM CC(C)[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735690139 1443973293 /nfs/dbraw/zinc/97/32/93/1443973293.db2.gz HMPZERRHZRVGGG-HXUWFJFHSA-N -1 1 376.420 3.327 20 30 GGEDMM CC(=NNc1ccc(F)cc1F)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000735451198 1444012990 /nfs/dbraw/zinc/01/29/90/1444012990.db2.gz SPWIIHVBHKIWKR-UHFFFAOYSA-N -1 1 394.389 3.475 20 30 GGEDMM COc1ccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cc1Cl ZINC000737082928 1444017140 /nfs/dbraw/zinc/01/71/40/1444017140.db2.gz MRPWARQOUXEEOQ-UHFFFAOYSA-N -1 1 375.820 3.260 20 30 GGEDMM C#CCOc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2-c2nnn[n-]2)cc1 ZINC000823856127 1444020901 /nfs/dbraw/zinc/02/09/01/1444020901.db2.gz JZVLYXNYODFZQD-UHFFFAOYSA-N -1 1 381.461 3.490 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccn2Cc2cccs2)o1 ZINC000824352831 1444029169 /nfs/dbraw/zinc/02/91/69/1444029169.db2.gz PPKLZJAEMMJNSE-UHFFFAOYSA-N -1 1 382.453 3.335 20 30 GGEDMM C(=NO[C@@H]1CCCCO1)c1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823867997 1444033581 /nfs/dbraw/zinc/03/35/81/1444033581.db2.gz MGEQYYXQUUPNDM-LJQANCHMSA-N -1 1 379.420 3.323 20 30 GGEDMM N#Cc1ccc(Oc2cccc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)c2)cc1 ZINC000737720986 1444034640 /nfs/dbraw/zinc/03/46/40/1444034640.db2.gz DVGHREGCFXJIOE-UHFFFAOYSA-N -1 1 396.410 3.461 20 30 GGEDMM Cc1ccc(O)c(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826291767 1446080529 /nfs/dbraw/zinc/08/05/29/1446080529.db2.gz VIOAVTZLTMSCLP-CSKARUKUSA-N -1 1 386.415 3.177 20 30 GGEDMM N#Cc1cccc(CNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1 ZINC000737730087 1446114661 /nfs/dbraw/zinc/11/46/61/1446114661.db2.gz FLAKRIITQQFRIF-UHFFFAOYSA-N -1 1 396.410 3.461 20 30 GGEDMM C=CCN(CC=C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735418327 1446148203 /nfs/dbraw/zinc/14/82/03/1446148203.db2.gz AXNPIOMGWUHLBZ-UHFFFAOYSA-N -1 1 375.432 3.260 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)Nc1ccc(C#N)cc1Cl ZINC000822541266 1446189176 /nfs/dbraw/zinc/18/91/76/1446189176.db2.gz MPOCVCHZYITSCP-UHFFFAOYSA-N -1 1 393.794 3.336 20 30 GGEDMM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000825576582 1446194380 /nfs/dbraw/zinc/19/43/80/1446194380.db2.gz KZOAKLRQFOUAMM-XYOKQWHBSA-N -1 1 396.378 3.296 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735501945 1446206184 /nfs/dbraw/zinc/20/61/84/1446206184.db2.gz ARTZBTBDODUIHK-ZDUSSCGKSA-N -1 1 394.460 3.136 20 30 GGEDMM N#Cc1cccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737730421 1446236607 /nfs/dbraw/zinc/23/66/07/1446236607.db2.gz KHLLJYYVZYSCLY-UHFFFAOYSA-N -1 1 377.404 3.031 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822801720 1446250638 /nfs/dbraw/zinc/25/06/38/1446250638.db2.gz NEPUVORMMIOZGC-VQTJNVASSA-N -1 1 386.459 3.098 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(F)ccc1OC ZINC000823909772 1446268132 /nfs/dbraw/zinc/26/81/32/1446268132.db2.gz QIUHPWDWXHNPEP-UHFFFAOYSA-N -1 1 382.399 3.235 20 30 GGEDMM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820137342 1446315015 /nfs/dbraw/zinc/31/50/15/1446315015.db2.gz JQZZVHSJJXLCIW-BQYQJAHWSA-N -1 1 382.449 3.354 20 30 GGEDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000826278220 1446330062 /nfs/dbraw/zinc/33/00/62/1446330062.db2.gz URIJKTJKLXJBGQ-UHFFFAOYSA-N -1 1 385.431 3.368 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCc1csc(C)n1 ZINC000819744029 1446338796 /nfs/dbraw/zinc/33/87/96/1446338796.db2.gz UFKFIGAZOMEMDT-UHFFFAOYSA-N -1 1 382.493 3.169 20 30 GGEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737280386 1446390044 /nfs/dbraw/zinc/39/00/44/1446390044.db2.gz RAXRADBDUCGPMY-UHFFFAOYSA-N -1 1 397.398 3.486 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)[C@@H](C#N)c1nc(-c2ccncc2)cs1 ZINC000826243885 1446400979 /nfs/dbraw/zinc/40/09/79/1446400979.db2.gz ZKSKPBOYJQVRFK-OAHLLOKOSA-N -1 1 387.428 3.184 20 30 GGEDMM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1Cl ZINC000737081660 1446403038 /nfs/dbraw/zinc/40/30/38/1446403038.db2.gz QZKCXJRZMNHGMT-ALCCZGGFSA-N -1 1 383.839 3.481 20 30 GGEDMM N#C[C@H](C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000826379029 1446435231 /nfs/dbraw/zinc/43/52/31/1446435231.db2.gz HNFVVZAITBVHNB-GFCCVEGCSA-N -1 1 395.835 3.462 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(-c2ccncc2)c1 ZINC000737808392 1446451315 /nfs/dbraw/zinc/45/13/15/1446451315.db2.gz RMWYPYCVQUNMRL-WAYWQWQTSA-N -1 1 393.410 3.473 20 30 GGEDMM CCCCc1nc(Cl)c(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)[nH]1 ZINC000825296721 1446476394 /nfs/dbraw/zinc/47/63/94/1446476394.db2.gz UDDALPNWYIQNRX-UHFFFAOYSA-N -1 1 391.867 3.317 20 30 GGEDMM N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737731026 1446542237 /nfs/dbraw/zinc/54/22/37/1446542237.db2.gz VWDPNHHASASYOS-UHFFFAOYSA-N -1 1 382.383 3.157 20 30 GGEDMM C=CCN(Cc1ccn(-c2ccc(F)cc2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745566 1446567016 /nfs/dbraw/zinc/56/70/16/1446567016.db2.gz KDYXIQPNHQUFJA-UHFFFAOYSA-N -1 1 389.438 3.380 20 30 GGEDMM Clc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826352101 1446568781 /nfs/dbraw/zinc/56/87/81/1446568781.db2.gz NNHWRXLVZQVVFN-UHFFFAOYSA-N -1 1 391.660 3.406 20 30 GGEDMM CC(=NNCc1cccc(C)c1)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000819772758 1446579103 /nfs/dbraw/zinc/57/91/03/1446579103.db2.gz LAUZAFSSGYBYST-UHFFFAOYSA-N -1 1 386.463 3.183 20 30 GGEDMM N#Cc1ccc(NC(=O)COc2ccc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716143 1446593295 /nfs/dbraw/zinc/59/32/95/1446593295.db2.gz LNVNPSNBJJBHAM-UHFFFAOYSA-N -1 1 389.202 3.063 20 30 GGEDMM N#C[C@@H](C(=O)Nc1ccccc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826378974 1446616475 /nfs/dbraw/zinc/61/64/75/1446616475.db2.gz GEICAVWIHRZDDS-HNNXBMFYSA-N -1 1 387.428 3.236 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000735418595 1446621184 /nfs/dbraw/zinc/62/11/84/1446621184.db2.gz HKDYIWLVFHZNHG-LJQANCHMSA-N -1 1 392.438 3.391 20 30 GGEDMM O=C(C=Cc1csc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403598 1446627759 /nfs/dbraw/zinc/62/77/59/1446627759.db2.gz WYOIKROIBHYIHA-ALCCZGGFSA-N -1 1 378.392 3.420 20 30 GGEDMM N#Cc1csc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)c1 ZINC000822842666 1446644276 /nfs/dbraw/zinc/64/42/76/1446644276.db2.gz SRFXCJVLWDQVHE-UHFFFAOYSA-N -1 1 392.366 3.005 20 30 GGEDMM Cc1c(C(=O)C=Cc2cn3cc(Cl)ccc3n2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203038 1446651123 /nfs/dbraw/zinc/65/11/23/1446651123.db2.gz RDMDSQFDDKDGRN-AATRIKPKSA-N -1 1 393.838 3.120 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822802262 1446697777 /nfs/dbraw/zinc/69/77/77/1446697777.db2.gz YFZWIHQXJWLXBM-RBUKOAKNSA-N -1 1 383.459 3.391 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822802262 1446697787 /nfs/dbraw/zinc/69/77/87/1446697787.db2.gz YFZWIHQXJWLXBM-RBUKOAKNSA-N -1 1 383.459 3.391 20 30 GGEDMM N#C[C@H](C(=O)[C@H]1C[C@H]1C1CC1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822801733 1446702610 /nfs/dbraw/zinc/70/26/10/1446702610.db2.gz NHJWPUDSKFJMKZ-SOUVJXGZSA-N -1 1 376.445 3.213 20 30 GGEDMM CN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)c1ccccc1C#N ZINC000825830517 1446715574 /nfs/dbraw/zinc/71/55/74/1446715574.db2.gz UCPWGKXIFOUDGO-UHFFFAOYSA-N -1 1 397.398 3.202 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1-c1nnn[n-]1 ZINC000737708857 1446731444 /nfs/dbraw/zinc/73/14/44/1446731444.db2.gz JMBBSPXDUGJNCG-UHFFFAOYSA-N -1 1 376.273 3.149 20 30 GGEDMM C=CC1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1 ZINC000735402483 1446752826 /nfs/dbraw/zinc/75/28/26/1446752826.db2.gz BYJHRZHYSQPDQO-UHFFFAOYSA-N -1 1 379.420 3.077 20 30 GGEDMM CCN(C(=O)CSc1ccc(C#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736504867 1446793061 /nfs/dbraw/zinc/79/30/61/1446793061.db2.gz IFRZHDWROGVQMJ-AWEZNQCLSA-N -1 1 392.488 3.440 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000736309516 1446799468 /nfs/dbraw/zinc/79/94/68/1446799468.db2.gz PRIKUKPNTKGJHA-AWEZNQCLSA-N -1 1 395.398 3.008 20 30 GGEDMM C[C@H](C#N)C(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000735505665 1446801319 /nfs/dbraw/zinc/80/13/19/1446801319.db2.gz UQQHCNHOVOXUCC-LLVKDONJSA-N -1 1 382.811 3.197 20 30 GGEDMM O=C(NCC#Cc1ccccc1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738037007 1446850218 /nfs/dbraw/zinc/85/02/18/1446850218.db2.gz CBKJACLBLDVODA-UHFFFAOYSA-N -1 1 395.422 3.441 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000735451195 1446881344 /nfs/dbraw/zinc/88/13/44/1446881344.db2.gz SNOGTMCOVWQLTP-UHFFFAOYSA-N -1 1 396.367 3.136 20 30 GGEDMM C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824962128 1446910060 /nfs/dbraw/zinc/91/00/60/1446910060.db2.gz OMPHKTUUKKYAGO-ZDUSSCGKSA-N -1 1 396.886 3.225 20 30 GGEDMM C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824962128 1446910063 /nfs/dbraw/zinc/91/00/63/1446910063.db2.gz OMPHKTUUKKYAGO-ZDUSSCGKSA-N -1 1 396.886 3.225 20 30 GGEDMM Cn1nc(-c2ccccc2)c(C=NNc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000737619516 1446919590 /nfs/dbraw/zinc/91/95/90/1446919590.db2.gz ULNAIWAMKCZCRU-UHFFFAOYSA-N -1 1 378.827 3.367 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(c2cccc(F)c2)CC1 ZINC000735419047 1446926684 /nfs/dbraw/zinc/92/66/84/1446926684.db2.gz PFRUUFNWWGVRNL-UHFFFAOYSA-N -1 1 377.423 3.252 20 30 GGEDMM CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000821161180 1446947478 /nfs/dbraw/zinc/94/74/78/1446947478.db2.gz VXKBCCJGYNHYIN-NSHDSACASA-N -1 1 381.827 3.010 20 30 GGEDMM N#Cc1ccc(NC(=O)c2c3c(nc4ccccc42)CCC3)cc1-c1nnn[n-]1 ZINC000737716350 1446962387 /nfs/dbraw/zinc/96/23/87/1446962387.db2.gz PSJLHTGIHPHPMV-UHFFFAOYSA-N -1 1 381.399 3.028 20 30 GGEDMM CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821207824 1447045834 /nfs/dbraw/zinc/04/58/34/1447045834.db2.gz VGCUNISFSKJDEW-UHFFFAOYSA-N -1 1 377.408 3.426 20 30 GGEDMM N#C[C@H](C(=O)C[C@@H]1CCCCO1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822802259 1447114600 /nfs/dbraw/zinc/11/46/00/1447114600.db2.gz YFPMEVFKUXQPCZ-LSDHHAIUSA-N -1 1 394.460 3.126 20 30 GGEDMM N#Cc1ccc(S[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(Cl)c1 ZINC000826386316 1447120053 /nfs/dbraw/zinc/12/00/53/1447120053.db2.gz YWFLUFJMGUBBFL-MRXNPFEDSA-N -1 1 396.863 3.289 20 30 GGEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736244722 1447180235 /nfs/dbraw/zinc/18/02/35/1447180235.db2.gz MKWBLJNGFKCDDK-FOIQADDNSA-N -1 1 382.468 3.004 20 30 GGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)c1OC ZINC000826190842 1447182686 /nfs/dbraw/zinc/18/26/86/1447182686.db2.gz PFJJSPHZJYMICN-HWKANZROSA-N -1 1 376.825 3.495 20 30 GGEDMM C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115788 1447203193 /nfs/dbraw/zinc/20/31/93/1447203193.db2.gz JOWZBWSIXZQMMF-GFCCVEGCSA-N -1 1 378.440 3.178 20 30 GGEDMM Cc1nn(-c2ccc(Cl)cc2)cc1C=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000826331318 1447243628 /nfs/dbraw/zinc/24/36/28/1447243628.db2.gz CWDCLODCGFCZMR-UHFFFAOYSA-N -1 1 378.827 3.460 20 30 GGEDMM CN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1F ZINC000736731338 1447261428 /nfs/dbraw/zinc/26/14/28/1447261428.db2.gz AFKZQNBLSLTBMS-UHFFFAOYSA-N -1 1 394.410 3.090 20 30 GGEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400069 1447262223 /nfs/dbraw/zinc/26/22/23/1447262223.db2.gz OBRYHZVEYQPUFN-VURMDHGXSA-N -1 1 378.342 3.431 20 30 GGEDMM C=CCN(Cc1c[nH]nc1-c1ccc(C)o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914134 1447276928 /nfs/dbraw/zinc/27/69/28/1447276928.db2.gz BAVRIXKVWFHKKF-UHFFFAOYSA-N -1 1 375.436 3.346 20 30 GGEDMM C=CCN(Cc1c[nH]nc1-c1ccc(C)o1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914134 1447276933 /nfs/dbraw/zinc/27/69/33/1447276933.db2.gz BAVRIXKVWFHKKF-UHFFFAOYSA-N -1 1 375.436 3.346 20 30 GGEDMM N#Cc1ccc(COC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)c1 ZINC000822825412 1447283801 /nfs/dbraw/zinc/28/38/01/1447283801.db2.gz DXSRYOSKDANCAB-UHFFFAOYSA-N -1 1 399.357 3.016 20 30 GGEDMM CCOC(=O)c1ccc(-c2nnn[n-]2)c(S[C@H](C)c2ccc(C#N)cc2)n1 ZINC000736603294 1449022661 /nfs/dbraw/zinc/02/26/61/1449022661.db2.gz NGVZVBMDGJWRFD-LLVKDONJSA-N -1 1 380.433 3.163 20 30 GGEDMM C=CCOc1ccc(C(=O)Nc2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1 ZINC000823932190 1449053826 /nfs/dbraw/zinc/05/38/26/1449053826.db2.gz RREZYSORSDUWNC-UHFFFAOYSA-N -1 1 389.419 3.053 20 30 GGEDMM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)c(Cl)c1 ZINC000822801797 1449075466 /nfs/dbraw/zinc/07/54/66/1449075466.db2.gz OUEIHPOVASPJQQ-JTQLQIEISA-N -1 1 379.232 3.230 20 30 GGEDMM C#CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1ccccc1 ZINC000823839133 1449097057 /nfs/dbraw/zinc/09/70/57/1449097057.db2.gz ZYDOOCPRLMSQRK-MRXNPFEDSA-N -1 1 377.452 3.309 20 30 GGEDMM COc1cc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CCC2)ccc1C ZINC000737043218 1449111248 /nfs/dbraw/zinc/11/12/48/1449111248.db2.gz VYQMLPCDYQPVAA-UHFFFAOYSA-N -1 1 388.431 3.116 20 30 GGEDMM CCC[C@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000825225045 1449122089 /nfs/dbraw/zinc/12/20/89/1449122089.db2.gz KETDWAITFPUHQR-CYBMUJFWSA-N -1 1 378.461 3.440 20 30 GGEDMM N#CCC1CCN(C(=O)c2cccc(Nc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000826380577 1449200007 /nfs/dbraw/zinc/20/00/07/1449200007.db2.gz FUZVEMMUUZLYQF-UHFFFAOYSA-N -1 1 387.447 3.376 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cc(F)ccc1C#N ZINC000820032467 1449298034 /nfs/dbraw/zinc/29/80/34/1449298034.db2.gz NYYKJOKYWJRLCO-SFHVURJKSA-N -1 1 395.394 3.024 20 30 GGEDMM C=CCn1c(-c2ccco2)nn(CN(C)c2ccc(-c3nn[n-]n3)cc2)c1=S ZINC000823937278 1449335519 /nfs/dbraw/zinc/33/55/19/1449335519.db2.gz PTUIIYOKHPDPST-UHFFFAOYSA-N -1 1 394.464 3.134 20 30 GGEDMM COc1ccc(C=C2SC(=Nc3ccccc3C)NC2=O)cc1-c1nnn[n-]1 ZINC000737082085 1449350210 /nfs/dbraw/zinc/35/02/10/1449350210.db2.gz HZUZEOWCKFNBHP-YBEGLDIGSA-N -1 1 392.444 3.075 20 30 GGEDMM O=C(C#Cc1ccccc1)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000822912071 1449353724 /nfs/dbraw/zinc/35/37/24/1449353724.db2.gz LDRKLDLSHKFTKL-UHFFFAOYSA-N -1 1 385.452 3.263 20 30 GGEDMM N#CCCN(CC1CC1)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737686474 1449421294 /nfs/dbraw/zinc/42/12/94/1449421294.db2.gz IXHUTHFXRDSLQC-UHFFFAOYSA-N -1 1 388.431 3.425 20 30 GGEDMM N#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1c(Cl)cccc1Cl ZINC000822801414 1449431712 /nfs/dbraw/zinc/43/17/12/1449431712.db2.gz JBABXTWKXHPTDW-JTQLQIEISA-N -1 1 379.232 3.230 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(Cl)n(C)nc1C(C)C ZINC000735420682 1449446521 /nfs/dbraw/zinc/44/65/21/1449446521.db2.gz PUVBKSVGRXJTQY-UHFFFAOYSA-N -1 1 399.886 3.205 20 30 GGEDMM N#Cc1cc(Cl)ccc1-n1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000826383449 1449485029 /nfs/dbraw/zinc/48/50/29/1449485029.db2.gz AVVNLHYPTUYPIM-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)c(Cl)c1 ZINC000822801798 1449493788 /nfs/dbraw/zinc/49/37/88/1449493788.db2.gz OUEIHPOVASPJQQ-SNVBAGLBSA-N -1 1 379.232 3.230 20 30 GGEDMM N#Cc1ccccc1N1CCCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000737727031 1449506876 /nfs/dbraw/zinc/50/68/76/1449506876.db2.gz BXWCBJAVIWYWFI-UHFFFAOYSA-N -1 1 396.458 3.003 20 30 GGEDMM C=C(C)COCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819723091 1449542531 /nfs/dbraw/zinc/54/25/31/1449542531.db2.gz YDUXBZOYFYNPOX-UHFFFAOYSA-N -1 1 394.435 3.373 20 30 GGEDMM C#CCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000819697998 1449603646 /nfs/dbraw/zinc/60/36/46/1449603646.db2.gz PNVVUUWLCWBIJE-UHFFFAOYSA-N -1 1 376.420 3.454 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1SCCc2sccc21 ZINC000819743427 1449655894 /nfs/dbraw/zinc/65/58/94/1449655894.db2.gz JMFKTJSGFKNJEK-KRWDZBQOSA-N -1 1 397.529 3.473 20 30 GGEDMM Cn1ccnc1COc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822699197 1449684736 /nfs/dbraw/zinc/68/47/36/1449684736.db2.gz RUSWHRYHBSUDQN-VOTSOKGWSA-N -1 1 392.444 3.137 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(C#N)s2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359595 1449710290 /nfs/dbraw/zinc/71/02/90/1449710290.db2.gz LRUJKPVJLMEMTO-SOFGYWHQSA-N -1 1 387.428 3.096 20 30 GGEDMM N#C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000737674262 1449714557 /nfs/dbraw/zinc/71/45/57/1449714557.db2.gz HVIMQQJYFNBFQT-AWEZNQCLSA-N -1 1 387.230 3.097 20 30 GGEDMM C=C(C)COc1cccc(N[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819722387 1449779096 /nfs/dbraw/zinc/77/90/96/1449779096.db2.gz IDARNDMYUGGTFD-SFHVURJKSA-N -1 1 379.420 3.148 20 30 GGEDMM Cc1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)nc1 ZINC000826281249 1449826401 /nfs/dbraw/zinc/82/64/01/1449826401.db2.gz KSTZZCQLLWXAFC-CQSZACIVSA-N -1 1 387.428 3.184 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(Br)c1 ZINC000737804288 1449910446 /nfs/dbraw/zinc/91/04/46/1449910446.db2.gz AMCBPBRRZQXBEJ-WAYWQWQTSA-N -1 1 395.220 3.173 20 30 GGEDMM CCc1c(C)sc(NC(=O)[C@@H](C)Oc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000736669427 1449922732 /nfs/dbraw/zinc/92/27/32/1449922732.db2.gz HNBPXCQKPVOMGT-SNVBAGLBSA-N -1 1 382.449 3.077 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CSc2ccccc21 ZINC000735419564 1449966371 /nfs/dbraw/zinc/96/63/71/1449966371.db2.gz VWSJBEVZFRIBTI-QGZVFWFLSA-N -1 1 377.473 3.271 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)nnn1-c1ccc(Cl)cc1 ZINC000822015515 1449980585 /nfs/dbraw/zinc/98/05/85/1449980585.db2.gz LKCLWKMNPRPWPF-VURMDHGXSA-N -1 1 397.851 3.367 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(Cl)cc3c2OCC3)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234074 1449982501 /nfs/dbraw/zinc/98/25/01/1449982501.db2.gz HHTFCMYYJGSNSH-PLNGDYQASA-N -1 1 395.850 3.407 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)n([C@H](C)C2CC2)n1 ZINC000823914194 1449986041 /nfs/dbraw/zinc/98/60/41/1449986041.db2.gz DAHYYBGRNNRMTG-OAHLLOKOSA-N -1 1 391.479 3.171 20 30 GGEDMM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826360012 1450027557 /nfs/dbraw/zinc/02/75/57/1450027557.db2.gz VHBGRVHWTOHXQG-MDZDMXLPSA-N -1 1 381.399 3.035 20 30 GGEDMM N#CC1(NC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826380382 1450041478 /nfs/dbraw/zinc/04/14/78/1450041478.db2.gz YGLWZWSIPYJAPR-UHFFFAOYSA-N -1 1 380.795 3.098 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1csc(CC)n1 ZINC000735418562 1450046039 /nfs/dbraw/zinc/04/60/39/1450046039.db2.gz GUZSUUPGJZXBEU-CYBMUJFWSA-N -1 1 397.508 3.344 20 30 GGEDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000825674716 1450049306 /nfs/dbraw/zinc/04/93/06/1450049306.db2.gz RCEBJFZGULDWGW-UHFFFAOYSA-N -1 1 395.404 3.011 20 30 GGEDMM CC(C)[C@@](C)(C#N)NC(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824184726 1450115713 /nfs/dbraw/zinc/11/57/13/1450115713.db2.gz JMLWVRMNJXWMNX-OAHLLOKOSA-N -1 1 398.414 3.032 20 30 GGEDMM C=CCOc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000735437467 1450118102 /nfs/dbraw/zinc/11/81/02/1450118102.db2.gz JPELVCJRWGWUGV-CYBMUJFWSA-N -1 1 380.404 3.358 20 30 GGEDMM CCCCN(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736453574 1450122311 /nfs/dbraw/zinc/12/23/11/1450122311.db2.gz QQFOBAUKDVSEQX-UHFFFAOYSA-N -1 1 375.436 3.227 20 30 GGEDMM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824507229 1450123434 /nfs/dbraw/zinc/12/34/34/1450123434.db2.gz VVSXAEBUMVPBEL-ZDUSSCGKSA-N -1 1 383.415 3.224 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(C#N)cc1Br ZINC000826252320 1450195476 /nfs/dbraw/zinc/19/54/76/1450195476.db2.gz YYKWLXYGBLEHNW-UHFFFAOYSA-N -1 1 398.220 3.166 20 30 GGEDMM CCOc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1OCC ZINC000821418050 1450225206 /nfs/dbraw/zinc/22/52/06/1450225206.db2.gz VIJDKBCCTDJTAO-UHFFFAOYSA-N -1 1 380.452 3.178 20 30 GGEDMM C=CCOc1cccnc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000823932301 1450247125 /nfs/dbraw/zinc/24/71/25/1450247125.db2.gz TXXGVCFACHCHOZ-UHFFFAOYSA-N -1 1 382.449 3.019 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)s1 ZINC000822823682 1450247310 /nfs/dbraw/zinc/24/73/10/1450247310.db2.gz XTNMTIMHAJLWLY-UHFFFAOYSA-N -1 1 389.400 3.239 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc3ccccc3c(Cl)n2)ccc1-c1nn[n-]n1 ZINC000737710031 1450278790 /nfs/dbraw/zinc/27/87/90/1450278790.db2.gz UJRUFQRLOFBRJE-UHFFFAOYSA-N -1 1 375.779 3.192 20 30 GGEDMM C=C(C)Cn1c(Sc2cccc(F)c2-c2nnn[n-]2)nnc1-c1ccncc1 ZINC000819722370 1450278812 /nfs/dbraw/zinc/27/88/12/1450278812.db2.gz HRUTWAZFHICSLE-UHFFFAOYSA-N -1 1 394.439 3.387 20 30 GGEDMM C=CCOc1ccc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000823932327 1450341799 /nfs/dbraw/zinc/34/17/99/1450341799.db2.gz UWHXQLURLWTCTO-UHFFFAOYSA-N -1 1 391.410 3.368 20 30 GGEDMM N#Cc1ccccc1C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822836975 1450345090 /nfs/dbraw/zinc/34/50/90/1450345090.db2.gz CMPBZNHDVNNSKT-FPLPWBNLSA-N -1 1 397.341 3.096 20 30 GGEDMM C#CC(C)(C)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735375988 1450355460 /nfs/dbraw/zinc/35/54/60/1450355460.db2.gz VTFHINPYUOKWHZ-UHFFFAOYSA-N -1 1 381.823 3.454 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000735993889 1450358157 /nfs/dbraw/zinc/35/81/57/1450358157.db2.gz UYAIRIPTVFCQBJ-UHFFFAOYSA-N -1 1 384.400 3.307 20 30 GGEDMM Oc1ccc(Cl)cc1C=NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826511316 1450382821 /nfs/dbraw/zinc/38/28/21/1450382821.db2.gz KMNJZRKMMMMGPQ-NHDPSOOVSA-N -1 1 398.854 3.430 20 30 GGEDMM N#Cc1ccsc1C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826387877 1450418171 /nfs/dbraw/zinc/41/81/71/1450418171.db2.gz WRSVQWSGLGHYCL-UHFFFAOYSA-N -1 1 379.430 3.176 20 30 GGEDMM CCOc1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1O ZINC000736625599 1450433897 /nfs/dbraw/zinc/43/38/97/1450433897.db2.gz MSPPCGTTYYFGGZ-UHFFFAOYSA-N -1 1 392.341 3.436 20 30 GGEDMM C=CCc1ccc(OC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000819758766 1450462807 /nfs/dbraw/zinc/46/28/07/1450462807.db2.gz GZUQTYZCOLNKPV-UHFFFAOYSA-N -1 1 394.431 3.367 20 30 GGEDMM CC[C@@H](C)n1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C1CC1 ZINC000825082085 1450513300 /nfs/dbraw/zinc/51/33/00/1450513300.db2.gz QBXKZLLLSWUEJD-LLVKDONJSA-N -1 1 376.424 3.036 20 30 GGEDMM C=C(C)CN(CC)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823878428 1450519740 /nfs/dbraw/zinc/51/97/40/1450519740.db2.gz YNTQGMKHCOKJTE-UHFFFAOYSA-N -1 1 386.847 3.136 20 30 GGEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823962795 946527507 /nfs/dbraw/zinc/52/75/07/946527507.db2.gz OVYDUWKEQUKGDX-UHFFFAOYSA-N -1 1 388.363 3.036 20 30 GGEDMM C=CC(C)(C)CCCNC(=O)Nc1ccc(Br)c(-c2nnn[n-]2)n1 ZINC001573307063 947176480 /nfs/dbraw/zinc/17/64/80/947176480.db2.gz OPLFWSMSRRKUGR-UHFFFAOYSA-N -1 1 394.277 3.138 20 30 GGEDMM C=CC(C)(C)CCCNC(=O)Nc1ccc(Br)c(-c2nn[n-]n2)n1 ZINC001573307063 947176485 /nfs/dbraw/zinc/17/64/85/947176485.db2.gz OPLFWSMSRRKUGR-UHFFFAOYSA-N -1 1 394.277 3.138 20 30 GGEDMM C=CC1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001573315377 947252672 /nfs/dbraw/zinc/25/26/72/947252672.db2.gz MCKFALWHIYBCFE-CYBMUJFWSA-N -1 1 382.472 3.015 20 30 GGEDMM C=CC1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573315377 947252679 /nfs/dbraw/zinc/25/26/79/947252679.db2.gz MCKFALWHIYBCFE-CYBMUJFWSA-N -1 1 382.472 3.015 20 30 GGEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588545000 958991056 /nfs/dbraw/zinc/99/10/56/958991056.db2.gz GDRKAGZUFWSUDH-JKSUJKDBSA-N -1 1 375.444 3.038 20 30 GGEDMM N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(C(=O)[O-])cc3F)CC2)c1 ZINC001574488669 961699388 /nfs/dbraw/zinc/69/93/88/961699388.db2.gz DTOQVTFVUDKRCE-UHFFFAOYSA-N -1 1 396.422 3.182 20 30 GGEDMM CN(CCOCc1ccc(C#N)cc1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001574014124 961936254 /nfs/dbraw/zinc/93/62/54/961936254.db2.gz REZJAGNXOXHABN-UHFFFAOYSA-N -1 1 397.475 3.101 20 30 GGEDMM C=C(CCC(=O)[O-])C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001573332820 962845169 /nfs/dbraw/zinc/84/51/69/962845169.db2.gz SIXLSLJMLLOZTF-UHFFFAOYSA-N -1 1 384.398 3.161 20 30 GGEDMM CC(C)Oc1c(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cccc1C(=O)[O-] ZINC000410397891 973926964 /nfs/dbraw/zinc/92/69/64/973926964.db2.gz MXWMJZLIGGWBNJ-UHFFFAOYSA-N -1 1 394.836 3.498 20 30 GGEDMM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485251244 974224629 /nfs/dbraw/zinc/22/46/29/974224629.db2.gz GIFWHZDAZRYWTB-UHFFFAOYSA-N -1 1 377.397 3.018 20 30 GGEDMM N#Cc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)cn2)c1 ZINC000603979285 975014726 /nfs/dbraw/zinc/01/47/26/975014726.db2.gz OMICEYBEYIDXDG-UHFFFAOYSA-N -1 1 395.396 3.245 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C[C@H](C)C(=O)[O-])C1CC1 ZINC001592226476 977419555 /nfs/dbraw/zinc/41/95/55/977419555.db2.gz ZENIQNLHKUPVIT-KBPBESRZSA-N -1 1 375.494 3.204 20 30 GGEDMM C[C@](CC(=O)[O-])(NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(F)c1 ZINC001592319907 977712936 /nfs/dbraw/zinc/71/29/36/977712936.db2.gz GIZNAESALLPOMW-LJQANCHMSA-N -1 1 389.814 3.269 20 30 GGEDMM C#CCN1CCC(C(=O)OCc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000737492295 978411099 /nfs/dbraw/zinc/41/10/99/978411099.db2.gz IYSNWAMGWFOLID-UHFFFAOYSA-N -1 1 375.421 3.127 20 30 GGEDMM O=C([O-])c1ccc(NN=C2CCOc3c(F)cc(Br)cc32)nc1 ZINC000763369436 978722179 /nfs/dbraw/zinc/72/21/79/978722179.db2.gz WFTLUMMFGUXWSV-UHFFFAOYSA-N -1 1 380.173 3.280 20 30 GGEDMM C=C(CCC(=O)[O-])C(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC001588629333 983736358 /nfs/dbraw/zinc/73/63/58/983736358.db2.gz HHOCPSNJKNZZNU-UHFFFAOYSA-N -1 1 387.480 3.251 20 30 GGEDMM C=C[C@@H](C(=O)[O-])N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC001588668824 983806353 /nfs/dbraw/zinc/80/63/53/983806353.db2.gz AEVYZLGFWKPIMK-LBPRGKRZSA-N -1 1 393.203 3.229 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(C(=O)[O-])sc3C)[nH]n2)c1C ZINC001588912070 984550240 /nfs/dbraw/zinc/55/02/40/984550240.db2.gz CEWFAGLMMVKKEU-UHFFFAOYSA-N -1 1 385.449 3.396 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C)cc3C(=O)[O-])[nH]n2)c1C ZINC001588912968 984553734 /nfs/dbraw/zinc/55/37/34/984553734.db2.gz USXAUWYFPFDGLS-UHFFFAOYSA-N -1 1 379.420 3.335 20 30 GGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]3C[C@@]32C(=O)[O-])c1C#N ZINC001599973376 986047408 /nfs/dbraw/zinc/04/74/08/986047408.db2.gz PVNDDQPMNAROLM-ZHRRBRCNSA-N -1 1 398.507 3.359 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1NC(=O)CN(C[C@@H](C)C(=O)[O-])C1CC1 ZINC001589331473 986186465 /nfs/dbraw/zinc/18/64/65/986186465.db2.gz FPTYEUKNMXKVSJ-ZIAGYGMSSA-N -1 1 375.494 3.062 20 30 GGEDMM CSc1nc(C2CC2)cc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1C#N ZINC001599828425 988633334 /nfs/dbraw/zinc/63/33/34/988633334.db2.gz VBZXDUAZSQBOJV-UHFFFAOYSA-N -1 1 393.428 3.379 20 30 GGEDMM CC(C)(C)OC(=O)NCCC1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001590185875 989547303 /nfs/dbraw/zinc/54/73/03/989547303.db2.gz VWFOWFGFDJFWSQ-UHFFFAOYSA-N -1 1 387.480 3.383 20 30 GGEDMM CN(C)Cc1ccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)cn1 ZINC001598248573 991021885 /nfs/dbraw/zinc/02/18/85/991021885.db2.gz FEBQAQXNLLZXMN-UHFFFAOYSA-N -1 1 399.450 3.494 20 30 GGEDMM COc1cc(CN[C@H](C(=O)[O-])c2ccccc2Br)ccc1C#N ZINC001599414599 997482571 /nfs/dbraw/zinc/48/25/71/997482571.db2.gz JKBFUOFKEMMEDS-INIZCTEOSA-N -1 1 375.222 3.245 20 30 GGEDMM COc1cc(C#N)ccc1CN[C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001599347801 998040626 /nfs/dbraw/zinc/04/06/26/998040626.db2.gz LLZCOFAPDWALHK-SFHVURJKSA-N -1 1 389.249 3.419 20 30 GGEDMM COc1cc(Br)ccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599348995 998060941 /nfs/dbraw/zinc/06/09/41/998060941.db2.gz ZNTJJSIMRICPML-INIZCTEOSA-N -1 1 375.222 3.245 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(C#N)CC3)cc2)c1C ZINC000109528895 209180443 /nfs/dbraw/zinc/18/04/43/209180443.db2.gz LNRWWADMGZRLBN-UHFFFAOYSA-N -1 1 397.500 3.480 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3cccc(C#N)c3)n2)n[n-]c1=S ZINC000024831434 519194057 /nfs/dbraw/zinc/19/40/57/519194057.db2.gz SVCZMUNEUBWKSF-UHFFFAOYSA-N -1 1 382.474 3.298 20 30 GGEDMM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000058419255 527111967 /nfs/dbraw/zinc/11/19/67/527111967.db2.gz JSEYYBGFGWITSL-KBPBESRZSA-N -1 1 383.242 3.217 20 30 GGEDMM COCCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Cl ZINC000114673712 564180152 /nfs/dbraw/zinc/18/01/52/564180152.db2.gz ARPWITHPVHPEEA-UHFFFAOYSA-N -1 1 380.853 3.346 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)N(C)C)c1 ZINC000114673477 564180647 /nfs/dbraw/zinc/18/06/47/564180647.db2.gz HHCYRFPLIMCYPW-UHFFFAOYSA-N -1 1 377.853 3.023 20 30 GGEDMM N#CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000119028182 564251237 /nfs/dbraw/zinc/25/12/37/564251237.db2.gz JRJWBNKTNFCXGB-UHFFFAOYSA-N -1 1 394.250 3.102 20 30 GGEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)o1 ZINC000041789970 564436727 /nfs/dbraw/zinc/43/67/27/564436727.db2.gz IONCKYFRYBJUHQ-UHFFFAOYSA-N -1 1 381.841 3.134 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1c(F)cccc1Cl ZINC000124638183 564488626 /nfs/dbraw/zinc/48/86/26/564488626.db2.gz QYXIBEXCFAQAMB-VIFPVBQESA-N -1 1 383.788 3.298 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000055546745 564623201 /nfs/dbraw/zinc/62/32/01/564623201.db2.gz HJBLMMQNGVAMDB-UHFFFAOYSA-N -1 1 395.278 3.166 20 30 GGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1Cl ZINC000055578612 564624189 /nfs/dbraw/zinc/62/41/89/564624189.db2.gz QUNRTBWCALLZPR-UHFFFAOYSA-N -1 1 375.837 3.287 20 30 GGEDMM N#CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000060332245 564696539 /nfs/dbraw/zinc/69/65/39/564696539.db2.gz VFNNOMLKIRWLHI-UHFFFAOYSA-N -1 1 384.244 3.048 20 30 GGEDMM C[C@@H](C#N)NC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000094062329 564895675 /nfs/dbraw/zinc/89/56/75/564895675.db2.gz PSNUCDCSCFBEQP-JTQLQIEISA-N -1 1 388.221 3.049 20 30 GGEDMM Cc1ccc(C(=O)N(C)CC#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000101515779 564915598 /nfs/dbraw/zinc/91/55/98/564915598.db2.gz LVFACSOCDHRHQU-UHFFFAOYSA-N -1 1 377.853 3.045 20 30 GGEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c1 ZINC000153965565 565019765 /nfs/dbraw/zinc/01/97/65/565019765.db2.gz RKTYODPOQYYZES-UHFFFAOYSA-N -1 1 394.250 3.080 20 30 GGEDMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000153983989 565020218 /nfs/dbraw/zinc/02/02/18/565020218.db2.gz OBKIBWFMVGTBMR-UHFFFAOYSA-N -1 1 391.250 3.306 20 30 GGEDMM Cc1csc(C(C#N)=C([O-])c2cc(Br)c3c(c2)OCCO3)n1 ZINC000155436507 565067719 /nfs/dbraw/zinc/06/77/19/565067719.db2.gz NNHRHWQATVLCDU-JTQLQIEISA-N -1 1 379.235 3.475 20 30 GGEDMM Cc1csc(C(C#N)=C([O-])c2cc(Br)c3c(c2)OCCO3)n1 ZINC000155436607 565067750 /nfs/dbraw/zinc/06/77/50/565067750.db2.gz NNHRHWQATVLCDU-SNVBAGLBSA-N -1 1 379.235 3.475 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)c(F)c1 ZINC000184512174 565140359 /nfs/dbraw/zinc/14/03/59/565140359.db2.gz QQRMIAAJAWZREX-UHFFFAOYSA-N -1 1 397.225 3.196 20 30 GGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000184768442 565155435 /nfs/dbraw/zinc/15/54/35/565155435.db2.gz QZVMARNAHKWLSY-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1Cl ZINC000158253553 565162310 /nfs/dbraw/zinc/16/23/10/565162310.db2.gz ORLXYYHUHPUKJG-OAHLLOKOSA-N -1 1 378.837 3.180 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1Cl ZINC000158253695 565162556 /nfs/dbraw/zinc/16/25/56/565162556.db2.gz ORLXYYHUHPUKJG-HNNXBMFYSA-N -1 1 378.837 3.180 20 30 GGEDMM N#C[C@@H]1N(C(=O)c2ccc(Br)cc2[O-])CCC[C@@]12CCCCO2 ZINC000373379467 565281413 /nfs/dbraw/zinc/28/14/13/565281413.db2.gz WTDXUOLJEBQBLU-RDJZCZTQSA-N -1 1 379.254 3.222 20 30 GGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)c1 ZINC000187039165 565304310 /nfs/dbraw/zinc/30/43/10/565304310.db2.gz KYMFENSIALFOAZ-UHFFFAOYSA-N -1 1 378.837 3.420 20 30 GGEDMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000187052984 565306004 /nfs/dbraw/zinc/30/60/04/565306004.db2.gz ZYGAHZXFGZGGSJ-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3cccc(Br)c3)C2)cc1[O-] ZINC000187785815 565355184 /nfs/dbraw/zinc/35/51/84/565355184.db2.gz TUQLEPJVQBMQHK-KRWDZBQOSA-N -1 1 387.233 3.240 20 30 GGEDMM C=CCCc1noc([C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000297431742 565372044 /nfs/dbraw/zinc/37/20/44/565372044.db2.gz VKOJIEPBDABCRG-JTQLQIEISA-N -1 1 375.372 3.247 20 30 GGEDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)o2)oc1-c1ccc(Cl)cc1 ZINC000376328661 565431810 /nfs/dbraw/zinc/43/18/10/565431810.db2.gz UQGAANUNXPWBFH-UHFFFAOYSA-N -1 1 377.809 3.247 20 30 GGEDMM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000189033884 565439064 /nfs/dbraw/zinc/43/90/64/565439064.db2.gz MCTRRGTXSIKYLN-UHFFFAOYSA-N -1 1 384.816 3.177 20 30 GGEDMM COc1cc(Br)ccc1CCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189202841 565451588 /nfs/dbraw/zinc/45/15/88/565451588.db2.gz LCDUUXQVCJQPPR-UHFFFAOYSA-N -1 1 389.249 3.398 20 30 GGEDMM C[C@H](C#N)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000171844676 565453822 /nfs/dbraw/zinc/45/38/22/565453822.db2.gz KQWTWZVIWYRDSR-GFCCVEGCSA-N -1 1 377.853 3.030 20 30 GGEDMM C[C@@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000171844672 565453910 /nfs/dbraw/zinc/45/39/10/565453910.db2.gz FLACDLGYXJBPKT-LBPRGKRZSA-N -1 1 377.853 3.030 20 30 GGEDMM COCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1Cl ZINC000172590845 565494383 /nfs/dbraw/zinc/49/43/83/565494383.db2.gz MPEZZFYTZKKTFH-UHFFFAOYSA-N -1 1 380.853 3.346 20 30 GGEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Br)c2)cc1 ZINC000389204940 565552783 /nfs/dbraw/zinc/55/27/83/565552783.db2.gz QUORHARJSAPJBO-UHFFFAOYSA-N -1 1 379.235 3.324 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)cc1[O-] ZINC000191001800 565576358 /nfs/dbraw/zinc/57/63/58/565576358.db2.gz CCGYUPPYUKCSMB-KRWDZBQOSA-N -1 1 387.233 3.240 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2Br)s1 ZINC000319577219 565599733 /nfs/dbraw/zinc/59/97/33/565599733.db2.gz IYIUORRPCHNVMD-UHFFFAOYSA-N -1 1 395.263 3.126 20 30 GGEDMM O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccc(Br)c([O-])c1 ZINC000328962620 565647925 /nfs/dbraw/zinc/64/79/25/565647925.db2.gz QXVRWKZSWAMGEP-LBPRGKRZSA-N -1 1 381.270 3.393 20 30 GGEDMM Cc1c(Br)cc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000174652352 565650267 /nfs/dbraw/zinc/65/02/67/565650267.db2.gz OREGIQIBBBEAFP-UHFFFAOYSA-N -1 1 396.222 3.338 20 30 GGEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000192128616 565661472 /nfs/dbraw/zinc/66/14/72/565661472.db2.gz MTASBTXXJLKWQQ-LBPRGKRZSA-N -1 1 398.893 3.135 20 30 GGEDMM O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(Br)c([O-])c1 ZINC000329365637 565664374 /nfs/dbraw/zinc/66/43/74/565664374.db2.gz IHNYOHNEPQMTJP-CYBMUJFWSA-N -1 1 396.285 3.140 20 30 GGEDMM COCCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000175969033 565736877 /nfs/dbraw/zinc/73/68/77/565736877.db2.gz VWWDEILRSJTKFT-UHFFFAOYSA-N -1 1 380.853 3.428 20 30 GGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1cccc(I)c1 ZINC000193360618 565746822 /nfs/dbraw/zinc/74/68/22/565746822.db2.gz UFKYGUSBRKNECB-UHFFFAOYSA-N -1 1 398.225 3.158 20 30 GGEDMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193359107 565747207 /nfs/dbraw/zinc/74/72/07/565747207.db2.gz HOUNQUSOWZYYRS-UHFFFAOYSA-N -1 1 381.251 3.325 20 30 GGEDMM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000331923547 565792959 /nfs/dbraw/zinc/79/29/59/565792959.db2.gz FVDCKGZQNXSWRT-LBPRGKRZSA-N -1 1 381.654 3.212 20 30 GGEDMM N#CCC1(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CC1 ZINC000332144158 565809930 /nfs/dbraw/zinc/80/99/30/565809930.db2.gz HHJAVEKSPNPMGQ-UHFFFAOYSA-N -1 1 381.654 3.214 20 30 GGEDMM C=CCSCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000194508357 565819278 /nfs/dbraw/zinc/81/92/78/565819278.db2.gz JTKYAWVNGXMHRW-UHFFFAOYSA-N -1 1 376.503 3.136 20 30 GGEDMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000177623325 565863316 /nfs/dbraw/zinc/86/33/16/565863316.db2.gz BFZDTTFIXCKSEG-DEOSSOPVSA-N -1 1 388.392 3.115 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(I)cc1 ZINC000226136576 565918781 /nfs/dbraw/zinc/91/87/81/565918781.db2.gz KOIMRQYVZMRLSS-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(I)c1 ZINC000226136704 565918864 /nfs/dbraw/zinc/91/88/64/565918864.db2.gz SXKXTVVDSGMSIX-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000416526622 566081094 /nfs/dbraw/zinc/08/10/94/566081094.db2.gz DGBCKZIBOPVGGJ-UHFFFAOYSA-N -1 1 383.670 3.460 20 30 GGEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)c(Br)cc2F)CCC1 ZINC000416663280 566101915 /nfs/dbraw/zinc/10/19/15/566101915.db2.gz ACPNJZUIFMBYMF-UHFFFAOYSA-N -1 1 381.654 3.214 20 30 GGEDMM O=C1c2cnn(-c3ncccn3)c2CC/C1=C/c1ccc([O-])c(Br)c1 ZINC000366527181 566156156 /nfs/dbraw/zinc/15/61/56/566156156.db2.gz JEBGWYMLGIIFOM-WQLSENKSSA-N -1 1 397.232 3.343 20 30 GGEDMM COc1cc(C#N)ccc1OCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182916734 566229766 /nfs/dbraw/zinc/22/97/66/566229766.db2.gz VNKGFVOGUMHCPM-UHFFFAOYSA-N -1 1 391.221 3.361 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(Br)cc3)C2)o1 ZINC000462139845 566254224 /nfs/dbraw/zinc/25/42/24/566254224.db2.gz OJVLPCAXILFXDP-AULYBMBSSA-N -1 1 381.251 3.138 20 30 GGEDMM N#CCCSc1ccccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000485273233 566487678 /nfs/dbraw/zinc/48/76/78/566487678.db2.gz KERYGFRFPVUMJT-UHFFFAOYSA-N -1 1 380.422 3.330 20 30 GGEDMM Cc1cnc(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)[n-]c1=O ZINC000578144154 566495119 /nfs/dbraw/zinc/49/51/19/566495119.db2.gz JVRAOFQVPWKBGW-UHFFFAOYSA-N -1 1 376.869 3.491 20 30 GGEDMM COCCOCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000603980996 566549082 /nfs/dbraw/zinc/54/90/82/566549082.db2.gz GTMRVCLWLYIDPQ-UHFFFAOYSA-N -1 1 380.853 3.175 20 30 GGEDMM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000603974556 566549435 /nfs/dbraw/zinc/54/94/35/566549435.db2.gz QXOTYITZVCPACJ-UHFFFAOYSA-N -1 1 382.850 3.433 20 30 GGEDMM C=CCCC[C@H](C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000579299386 566596280 /nfs/dbraw/zinc/59/62/80/566596280.db2.gz VUBCQKLOENCUMS-NSHDSACASA-N -1 1 379.309 3.133 20 30 GGEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000466888426 566604250 /nfs/dbraw/zinc/60/42/50/566604250.db2.gz WVAFJASRMBCVKV-UHFFFAOYSA-N -1 1 391.197 3.091 20 30 GGEDMM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1ccc(CC#N)cc1Cl ZINC000451068105 566747163 /nfs/dbraw/zinc/74/71/63/566747163.db2.gz HVAMTZYFBSAAOB-UHFFFAOYSA-N -1 1 382.825 3.203 20 30 GGEDMM N#CCSc1ccccc1NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000562042886 566758798 /nfs/dbraw/zinc/75/87/98/566758798.db2.gz CCNOEZZLGQXUFR-UHFFFAOYSA-N -1 1 382.417 3.466 20 30 GGEDMM N#Cc1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3sccc3Cl)C2)c(F)c1 ZINC000451197219 566774648 /nfs/dbraw/zinc/77/46/48/566774648.db2.gz RKSQNMYSWNQBMU-LBPRGKRZSA-N -1 1 399.900 3.360 20 30 GGEDMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1cccc(OC(F)(F)F)c1F ZINC000427741922 566793321 /nfs/dbraw/zinc/79/33/21/566793321.db2.gz FDDQBPADOSVQAD-UHFFFAOYSA-N -1 1 393.240 3.267 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)cc1F ZINC000427778397 566797390 /nfs/dbraw/zinc/79/73/90/566797390.db2.gz JIDJDCUNIAVVJZ-UHFFFAOYSA-N -1 1 376.800 3.337 20 30 GGEDMM C=CCCC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451371736 566805602 /nfs/dbraw/zinc/80/56/02/566805602.db2.gz WPPWHUZIJXEOOU-ZDUSSCGKSA-N -1 1 392.518 3.001 20 30 GGEDMM COC(=O)[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1ccc(Cl)cc1Cl ZINC000451391069 566809515 /nfs/dbraw/zinc/80/95/15/566809515.db2.gz FCLBQUYHIVHHLC-CYBMUJFWSA-N -1 1 393.292 3.067 20 30 GGEDMM CCCCc1cc([N-]S(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000582125091 566833830 /nfs/dbraw/zinc/83/38/30/566833830.db2.gz GLRFSACSTHECEZ-UHFFFAOYSA-N -1 1 383.271 3.187 20 30 GGEDMM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC000451573532 566843398 /nfs/dbraw/zinc/84/33/98/566843398.db2.gz YGFUBPBEHVBMAX-UHFFFAOYSA-N -1 1 388.262 3.068 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)cc1Br ZINC000582326385 566851602 /nfs/dbraw/zinc/85/16/02/566851602.db2.gz AHIMEDGGNJLJOU-UHFFFAOYSA-N -1 1 387.205 3.077 20 30 GGEDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1Cl ZINC000543165531 566858981 /nfs/dbraw/zinc/85/89/81/566858981.db2.gz BGADHWYLBBFEON-OAHLLOKOSA-N -1 1 399.255 3.058 20 30 GGEDMM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)s1 ZINC000610855844 566870380 /nfs/dbraw/zinc/87/03/80/566870380.db2.gz ZVGGWQVCMHVTAZ-VIFPVBQESA-N -1 1 383.882 3.271 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)cc1Br ZINC000451821715 566887815 /nfs/dbraw/zinc/88/78/15/566887815.db2.gz HZYAGQPCJDJKQL-VIFPVBQESA-N -1 1 397.216 3.174 20 30 GGEDMM O=C1[N-][C@H](CC(F)(F)F)C(=O)N1Cc1cc(F)c(C(F)(F)F)cc1F ZINC000491204882 566897688 /nfs/dbraw/zinc/89/76/88/566897688.db2.gz GFJLFHIBWSZNRH-SECBINFHSA-N -1 1 376.203 3.356 20 30 GGEDMM CC#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000543666645 566899161 /nfs/dbraw/zinc/89/91/61/566899161.db2.gz VNNNDSZGLLSARM-UHFFFAOYSA-N -1 1 376.865 3.284 20 30 GGEDMM CCN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000583046387 566917111 /nfs/dbraw/zinc/91/71/11/566917111.db2.gz PAAKDLUCRWSFHP-UHFFFAOYSA-N -1 1 377.853 3.104 20 30 GGEDMM Cc1nc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)CCCCC2)no1 ZINC000611538601 566925696 /nfs/dbraw/zinc/92/56/96/566925696.db2.gz QSPCOAZTGJDHEK-UHFFFAOYSA-N -1 1 380.857 3.041 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000564548932 566986032 /nfs/dbraw/zinc/98/60/32/566986032.db2.gz DUEJXEIWKFHOJL-LLVKDONJSA-N -1 1 382.429 3.259 20 30 GGEDMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)c1ccc(C#N)cc1 ZINC000544869263 567002417 /nfs/dbraw/zinc/00/24/17/567002417.db2.gz YJCVAEHEJLROJX-JTQLQIEISA-N -1 1 392.196 3.359 20 30 GGEDMM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(Br)c2C#N)n[nH]1 ZINC000565056964 567034538 /nfs/dbraw/zinc/03/45/38/567034538.db2.gz XCNOPDQOTGDJOP-UHFFFAOYSA-N -1 1 383.271 3.043 20 30 GGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000521714007 567076404 /nfs/dbraw/zinc/07/64/04/567076404.db2.gz YCBNPOGOCHNWPA-UHFFFAOYSA-N -1 1 375.475 3.452 20 30 GGEDMM Cc1cnc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(Br)c1 ZINC000545858955 567082101 /nfs/dbraw/zinc/08/21/01/567082101.db2.gz LERBXEIXKFQIEA-UHFFFAOYSA-N -1 1 386.658 3.478 20 30 GGEDMM Cc1cc(I)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614357160 567105285 /nfs/dbraw/zinc/10/52/85/567105285.db2.gz AYAUEVRAOFASCU-UHFFFAOYSA-N -1 1 378.169 3.429 20 30 GGEDMM CC#CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000565853470 567106647 /nfs/dbraw/zinc/10/66/47/567106647.db2.gz FUJOUINOQBPNJQ-UHFFFAOYSA-N -1 1 376.865 3.236 20 30 GGEDMM O=S(=O)([N-][C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1cncc(F)c1 ZINC000588904738 567144231 /nfs/dbraw/zinc/14/42/31/567144231.db2.gz FEAQDESPEBZQQW-MBTKJCJQSA-N -1 1 394.312 3.409 20 30 GGEDMM N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906056 567145021 /nfs/dbraw/zinc/14/50/21/567145021.db2.gz GVVADQHFGPSWST-UHFFFAOYSA-N -1 1 379.226 3.177 20 30 GGEDMM N#C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCCCC1 ZINC000588942630 567146474 /nfs/dbraw/zinc/14/64/74/567146474.db2.gz AXIKIJKNAXJLGZ-GFCCVEGCSA-N -1 1 380.363 3.475 20 30 GGEDMM N#C[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C1CCCCC1 ZINC000588942636 567146585 /nfs/dbraw/zinc/14/65/85/567146585.db2.gz AXIKIJKNAXJLGZ-LBPRGKRZSA-N -1 1 380.363 3.475 20 30 GGEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)Oc1ccc(Br)cc1 ZINC000589187601 567163471 /nfs/dbraw/zinc/16/34/71/567163471.db2.gz BXBKADMHJQBGJY-LLVKDONJSA-N -1 1 375.222 3.224 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3c(Br)ccc(F)c3C2)c1 ZINC000589204487 567166015 /nfs/dbraw/zinc/16/60/15/567166015.db2.gz XTLRLZIRWOSEQA-UHFFFAOYSA-N -1 1 375.197 3.364 20 30 GGEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000546918707 567172091 /nfs/dbraw/zinc/17/20/91/567172091.db2.gz VRERPSMLGHODBZ-BONVTDFDSA-N -1 1 384.217 3.199 20 30 GGEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432763051 567186086 /nfs/dbraw/zinc/18/60/86/567186086.db2.gz MTQUNWNZOXWSCP-UHFFFAOYSA-N -1 1 394.250 3.080 20 30 GGEDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)OCO2 ZINC000432775413 567188679 /nfs/dbraw/zinc/18/86/79/567188679.db2.gz IHMGIDWVVVGUPG-UHFFFAOYSA-N -1 1 395.234 3.159 20 30 GGEDMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432779797 567190833 /nfs/dbraw/zinc/19/08/33/567190833.db2.gz LTHRDTINRWUCQB-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(Br)c1 ZINC000475813766 567279226 /nfs/dbraw/zinc/27/92/26/567279226.db2.gz VFRXRBNHOOAGKM-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM COCCN(Cc1cc(Br)cs1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000617419191 567308390 /nfs/dbraw/zinc/30/83/90/567308390.db2.gz SYJSEFMPPWPNED-UHFFFAOYSA-N -1 1 395.278 3.377 20 30 GGEDMM N#CCCSc1ccccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000568573398 567339281 /nfs/dbraw/zinc/33/92/81/567339281.db2.gz CVGVQMJECSHUTD-UHFFFAOYSA-N -1 1 376.459 3.120 20 30 GGEDMM C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435164274 567343170 /nfs/dbraw/zinc/34/31/70/567343170.db2.gz COVGJUVTRNCRDG-XMMPIXPASA-N -1 1 388.392 3.115 20 30 GGEDMM C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000435164273 567344301 /nfs/dbraw/zinc/34/43/01/567344301.db2.gz COVGJUVTRNCRDG-DEOSSOPVSA-N -1 1 388.392 3.115 20 30 GGEDMM Cc1c(NS(=O)(=O)c2cccc(Br)c2C#N)cccc1C(=O)[O-] ZINC000568736432 567352243 /nfs/dbraw/zinc/35/22/43/567352243.db2.gz XEFFNWCZMOKXQM-UHFFFAOYSA-N -1 1 395.234 3.128 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000435437197 567367387 /nfs/dbraw/zinc/36/73/87/567367387.db2.gz IWGFYFZYAIGIBK-SECBINFHSA-N -1 1 394.865 3.363 20 30 GGEDMM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000477227076 567382022 /nfs/dbraw/zinc/38/20/22/567382022.db2.gz YOLUPKPSFAIYST-GFCCVEGCSA-N -1 1 376.459 3.468 20 30 GGEDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000502411160 567432342 /nfs/dbraw/zinc/43/23/42/567432342.db2.gz UZSMUCWGOYFKKB-UHFFFAOYSA-N -1 1 380.298 3.347 20 30 GGEDMM CC#CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1[O-] ZINC000436738006 567447065 /nfs/dbraw/zinc/44/70/65/567447065.db2.gz MNIUORRICQZHLI-UHFFFAOYSA-N -1 1 387.233 3.160 20 30 GGEDMM CCOC(=O)c1sc([N-]C(=O)c2scc3c2OCCO3)c(C#N)c1C ZINC000593942294 567448927 /nfs/dbraw/zinc/44/89/27/567448927.db2.gz GZGXSLRCQCESSU-UHFFFAOYSA-N -1 1 378.431 3.190 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)c1 ZINC000619450265 567454201 /nfs/dbraw/zinc/45/42/01/567454201.db2.gz ZVPSGZWNQVSRIZ-UHFFFAOYSA-N -1 1 399.204 3.006 20 30 GGEDMM C=CCN(CCc1ccco1)C(=O)c1cc(I)ccc1[O-] ZINC000436987664 567471829 /nfs/dbraw/zinc/47/18/29/567471829.db2.gz USNRFSCWZZODIU-UHFFFAOYSA-N -1 1 397.212 3.461 20 30 GGEDMM COC(=O)c1cc(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1F ZINC000478699971 567477292 /nfs/dbraw/zinc/47/72/92/567477292.db2.gz WZBQBZIIBRFYQV-UHFFFAOYSA-N -1 1 386.763 3.077 20 30 GGEDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c1F ZINC000594578562 567488882 /nfs/dbraw/zinc/48/88/82/567488882.db2.gz KPACIPKEVXTNON-ZDUSSCGKSA-N -1 1 388.848 3.016 20 30 GGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)c(Br)c1)C1CCCC1 ZINC000594729062 567504939 /nfs/dbraw/zinc/50/49/39/567504939.db2.gz UOVQZJKDTIRXBS-HNNXBMFYSA-N -1 1 387.299 3.268 20 30 GGEDMM C[C@]([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)(C1CC1)C(F)(F)F ZINC000479140458 567507607 /nfs/dbraw/zinc/50/76/07/567507607.db2.gz CTVOYKOSIBBNBV-LBPRGKRZSA-N -1 1 397.216 3.330 20 30 GGEDMM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Br)CC1 ZINC000594780882 567512289 /nfs/dbraw/zinc/51/22/89/567512289.db2.gz GLWILFMXPVAUGD-UHFFFAOYSA-N -1 1 384.082 3.338 20 30 GGEDMM C[C@@H](C#N)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000438056257 567517942 /nfs/dbraw/zinc/51/79/42/567517942.db2.gz ZZDQSKQMLROKJM-JTQLQIEISA-N -1 1 381.816 3.378 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(Br)cc3)CCC2)o1 ZINC000571590065 567572957 /nfs/dbraw/zinc/57/29/57/567572957.db2.gz IADYTKDPYCFZBP-UHFFFAOYSA-N -1 1 395.278 3.314 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@H]2COc3cc(F)c(Br)cc32)cc1[O-] ZINC000506666623 567636964 /nfs/dbraw/zinc/63/69/64/567636964.db2.gz VFXWLCNIHURMNU-ZDUSSCGKSA-N -1 1 377.169 3.029 20 30 GGEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)ccc1C ZINC000506817159 567644810 /nfs/dbraw/zinc/64/48/10/567644810.db2.gz RRIPXVLJFANEAZ-UHFFFAOYSA-N -1 1 378.837 3.498 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(Br)cc3)CCC2)o1 ZINC000553439032 567655362 /nfs/dbraw/zinc/65/53/62/567655362.db2.gz JJFBFCNRJMZXIZ-UHFFFAOYSA-N -1 1 381.251 3.271 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CCC2)o1 ZINC000553777379 567683889 /nfs/dbraw/zinc/68/38/89/567683889.db2.gz RPJVRRCXZQOAAH-UHFFFAOYSA-N -1 1 381.251 3.271 20 30 GGEDMM CC(C)(Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553812987 567687751 /nfs/dbraw/zinc/68/77/51/567687751.db2.gz DKTYOXZZYRYYSS-UHFFFAOYSA-N -1 1 383.267 3.213 20 30 GGEDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)ccc1F ZINC000507579188 567688136 /nfs/dbraw/zinc/68/81/36/567688136.db2.gz BRQWWEOEAPJGNH-UHFFFAOYSA-N -1 1 397.225 3.463 20 30 GGEDMM O=S(=O)([N-]c1ncc(C(F)(F)F)[nH]1)c1ccc(C(F)(F)F)cc1F ZINC000573146731 567690645 /nfs/dbraw/zinc/69/06/45/567690645.db2.gz WGYGQXSIWPOQGK-UHFFFAOYSA-N -1 1 377.241 3.387 20 30 GGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000507917355 567715733 /nfs/dbraw/zinc/71/57/33/567715733.db2.gz JOCDNVIUAZUSDJ-UHFFFAOYSA-N -1 1 378.841 3.013 20 30 GGEDMM COc1ccc(Br)cc1CN(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442898904 567715836 /nfs/dbraw/zinc/71/58/36/567715836.db2.gz PIXPYTMGASSXND-UHFFFAOYSA-N -1 1 375.222 3.307 20 30 GGEDMM C=CCCS(=O)(=O)Nc1cc([O-])c(Br)cc1Br ZINC000507964356 567720039 /nfs/dbraw/zinc/72/00/39/567720039.db2.gz GYTZWBWYNYJNLS-UHFFFAOYSA-N -1 1 385.077 3.235 20 30 GGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Br)c1C ZINC000507986573 567721138 /nfs/dbraw/zinc/72/11/38/567721138.db2.gz PMHPZLSGIOVOKC-UHFFFAOYSA-N -1 1 380.267 3.472 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1Br ZINC000508071786 567725692 /nfs/dbraw/zinc/72/56/92/567725692.db2.gz BTYWPTXCCBRZIY-UHFFFAOYSA-N -1 1 379.235 3.056 20 30 GGEDMM N#Cc1ccc(C(=O)NCCc2c[nH]c3ccc(Br)cc23)cc1[O-] ZINC000443126135 567733809 /nfs/dbraw/zinc/73/38/09/567733809.db2.gz YHWAXYCZXBXIHP-UHFFFAOYSA-N -1 1 384.233 3.480 20 30 GGEDMM C=C(C)CCc1noc(C[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000508616557 567757141 /nfs/dbraw/zinc/75/71/41/567757141.db2.gz DCUBAPZFTHYOAH-UHFFFAOYSA-N -1 1 375.372 3.076 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)cn1 ZINC000443972099 567783190 /nfs/dbraw/zinc/78/31/90/567783190.db2.gz WODJIPXUCNZJLY-CYBMUJFWSA-N -1 1 393.749 3.328 20 30 GGEDMM COc1ccc(CN=Nc2oc(C(C)C)nc2-c2nn[n-]n2)c(OC(F)F)c1 ZINC000737082224 598926481 /nfs/dbraw/zinc/92/64/81/598926481.db2.gz FXFKRQLHMSFPER-UHFFFAOYSA-N -1 1 393.354 3.034 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(SCC(F)F)cc2)o1 ZINC000735451360 599126964 /nfs/dbraw/zinc/12/69/64/599126964.db2.gz YQRNAFLBWXMZKV-UHFFFAOYSA-N -1 1 379.396 3.356 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2cccc(OCCCC#N)c2)o1 ZINC000735940467 598362811 /nfs/dbraw/zinc/36/28/11/598362811.db2.gz ZYYYOSBFBCTBSP-UHFFFAOYSA-N -1 1 380.412 3.107 20 30 GGEDMM CSc1nc(C2CC2)cc(C(=O)Nc2ccc(F)c(C#N)c2)c1-c1nnn[n-]1 ZINC000737189112 598597942 /nfs/dbraw/zinc/59/79/42/598597942.db2.gz IQGDVAKYFRKPMA-UHFFFAOYSA-N -1 1 395.423 3.124 20 30 GGEDMM CSc1nc(C2CC2)cc(C(=O)Nc2ccc(F)c(C#N)c2)c1-c1nn[n-]n1 ZINC000737189112 598597944 /nfs/dbraw/zinc/59/79/44/598597944.db2.gz IQGDVAKYFRKPMA-UHFFFAOYSA-N -1 1 395.423 3.124 20 30 GGEDMM Cc1nc(-c2nn[n-]n2)c(N=NC(C)c2csc(-c3csc(C)n3)c2)o1 ZINC000735450885 598786968 /nfs/dbraw/zinc/78/69/68/598786968.db2.gz IIXZPNHIXPGBRG-UHFFFAOYSA-N -1 1 386.466 3.493 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000736200981 599838437 /nfs/dbraw/zinc/83/84/37/599838437.db2.gz FEYXMRNUCMKVIY-JTQLQIEISA-N -1 1 382.488 3.499 20 30 GGEDMM Cc1cc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1C(=O)[O-] ZINC000738438234 600016964 /nfs/dbraw/zinc/01/69/64/600016964.db2.gz YVBDGALAFRGJRY-UHFFFAOYSA-N -1 1 392.459 3.305 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)CNC1(C(=O)[O-])CCCCC1 ZINC000736203929 600149951 /nfs/dbraw/zinc/14/99/51/600149951.db2.gz WOFGNXGWEMKARH-AWEZNQCLSA-N -1 1 375.494 3.254 20 30 GGEDMM CS(=O)(=O)c1ccccc1N=NCc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000738175710 600181650 /nfs/dbraw/zinc/18/16/50/600181650.db2.gz DOWFCGXVKLLDPX-UHFFFAOYSA-N -1 1 384.413 3.494 20 30 GGEDMM Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000738364596 600295442 /nfs/dbraw/zinc/29/54/42/600295442.db2.gz XLSLCNCAKXZWQJ-HKUYNNGSSA-N -1 1 383.492 3.125 20 30 GGEDMM Cc1c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cccc1C(=O)[O-] ZINC000154424449 600394934 /nfs/dbraw/zinc/39/49/34/600394934.db2.gz POZZCZHLOXNKIE-UHFFFAOYSA-N -1 1 384.335 3.385 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000739092816 600395182 /nfs/dbraw/zinc/39/51/82/600395182.db2.gz KXCYSHDJUBKVJG-UHFFFAOYSA-N -1 1 399.350 3.145 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000739092777 600395220 /nfs/dbraw/zinc/39/52/20/600395220.db2.gz JSWCJILZKPPUDC-UHFFFAOYSA-N -1 1 385.323 3.468 20 30 GGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 ZINC000739107387 600562975 /nfs/dbraw/zinc/56/29/75/600562975.db2.gz XBIJRHUDRYZYPH-IBGZPJMESA-N -1 1 376.416 3.076 20 30 GGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3cccc4cccnc43)CC2)cc1 ZINC000739107599 600564809 /nfs/dbraw/zinc/56/48/09/600564809.db2.gz YBXOTCFQETYSNE-QFIPXVFZSA-N -1 1 386.455 3.050 20 30 GGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000739107352 600567247 /nfs/dbraw/zinc/56/72/47/600567247.db2.gz WRHRBPKPZCRHEU-IBGZPJMESA-N -1 1 397.862 3.185 20 30 GGEDMM C=CCn1c2ccccc2n(CN(CCC(=O)[O-])C2CCOCC2)c1=S ZINC000825705852 600719505 /nfs/dbraw/zinc/71/95/05/600719505.db2.gz UUUHWOYZHYFLBV-UHFFFAOYSA-N -1 1 375.494 3.271 20 30 GGEDMM N#Cc1ccc([C@H](OC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000739112006 600804135 /nfs/dbraw/zinc/80/41/35/600804135.db2.gz XNYRSIWYLBCEAT-ICSRJNTNSA-N -1 1 396.418 3.278 20 30 GGEDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2cccc(C#Cc3cccs3)c2)CC1 ZINC000827368703 601127386 /nfs/dbraw/zinc/12/73/86/601127386.db2.gz HWHQXXPOKHVPDU-MRXNPFEDSA-N -1 1 397.500 3.161 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000827217293 601132436 /nfs/dbraw/zinc/13/24/36/601132436.db2.gz BCNAWBMZMUHIHD-HUUCEWRRSA-N -1 1 390.509 3.094 20 30 GGEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000833074149 601313230 /nfs/dbraw/zinc/31/32/30/601313230.db2.gz PZMHQXBQKASPSW-IBGZPJMESA-N -1 1 397.862 3.185 20 30 GGEDMM C[C@H](c1ccc(F)cc1F)N1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000827934515 601314744 /nfs/dbraw/zinc/31/47/44/601314744.db2.gz HAFWDIJOXBITHV-JLTOFOAXSA-N -1 1 385.414 3.341 20 30 GGEDMM CCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000759166089 601788119 /nfs/dbraw/zinc/78/81/19/601788119.db2.gz ZZIJKKHHACDGKE-UHFFFAOYSA-N -1 1 379.825 3.142 20 30 GGEDMM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000830060018 601829059 /nfs/dbraw/zinc/82/90/59/601829059.db2.gz XLZHROGBUXINSJ-UHFFFAOYSA-N -1 1 380.809 3.109 20 30 GGEDMM CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751147192 601837385 /nfs/dbraw/zinc/83/73/85/601837385.db2.gz ZPJRUGJLKFLQGK-UHFFFAOYSA-N -1 1 396.371 3.123 20 30 GGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c1C#N ZINC000832849658 601914690 /nfs/dbraw/zinc/91/46/90/601914690.db2.gz OBYMRPOOFUUTEG-OAQYLSRUSA-N -1 1 386.496 3.217 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)ccc1Cl ZINC000832889284 601955736 /nfs/dbraw/zinc/95/57/36/601955736.db2.gz PNTMEZGLWYJETR-AWEZNQCLSA-N -1 1 377.872 3.080 20 30 GGEDMM C=CCOc1c(Br)cc(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000833377529 604668322 /nfs/dbraw/zinc/66/83/22/604668322.db2.gz ADTMRWXGVXWPAQ-DGCLKSJQSA-N -1 1 384.270 3.175 20 30 GGEDMM C=CCOc1c(Br)cc(CN2C[C@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC000833377530 604668429 /nfs/dbraw/zinc/66/84/29/604668429.db2.gz ADTMRWXGVXWPAQ-WCQYABFASA-N -1 1 384.270 3.175 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C[C@H](C)C(=O)[O-])C2CC2)c1C#N ZINC000832850025 604746185 /nfs/dbraw/zinc/74/61/85/604746185.db2.gz XISMMONLSNZDNI-AWEZNQCLSA-N -1 1 394.475 3.089 20 30 GGEDMM C[C@@H](CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CC1)C(=O)[O-] ZINC000827450389 604746246 /nfs/dbraw/zinc/74/62/46/604746246.db2.gz WPGRQQBFMMKTSP-LBPRGKRZSA-N -1 1 375.494 3.012 20 30 GGEDMM C=CCc1ccc(OCC(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c(OC)c1 ZINC000833379907 604865938 /nfs/dbraw/zinc/86/59/38/604865938.db2.gz POSZUQUIVGTUGK-UHFFFAOYSA-N -1 1 381.388 3.016 20 30 GGEDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)Nc2ccccc2SCC#N)C1 ZINC000833421721 604943464 /nfs/dbraw/zinc/94/34/64/604943464.db2.gz ZUKIXGMRSIJHSA-CQSZACIVSA-N -1 1 375.494 3.064 20 30 GGEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833411070 604951012 /nfs/dbraw/zinc/95/10/12/604951012.db2.gz LGZMBHOBGQWNKI-OLZOCXBDSA-N -1 1 389.521 3.258 20 30 GGEDMM CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1C#N ZINC000435138175 605009487 /nfs/dbraw/zinc/00/94/87/605009487.db2.gz IKIBERCPXOLVGA-UHFFFAOYSA-N -1 1 394.836 3.498 20 30 GGEDMM N#Cc1ccc(Nc2cccc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])c2)cc1 ZINC000822832738 606294508 /nfs/dbraw/zinc/29/45/08/606294508.db2.gz FREROJDHRWMMQF-UHFFFAOYSA-N -1 1 397.398 3.440 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000822541385 606355240 /nfs/dbraw/zinc/35/52/40/606355240.db2.gz OBPKLHKDQZKWRY-LBPRGKRZSA-N -1 1 388.387 3.349 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000822541385 606355242 /nfs/dbraw/zinc/35/52/42/606355242.db2.gz OBPKLHKDQZKWRY-LBPRGKRZSA-N -1 1 388.387 3.349 20 30 GGEDMM Cc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4nn[n-]n4)s3)S2)c(C)c1 ZINC000822254543 606387646 /nfs/dbraw/zinc/38/76/46/606387646.db2.gz MQNVSAKDMFPRMK-ZSOIEALJSA-N -1 1 382.474 3.437 20 30 GGEDMM C#CCN(CC#C)C(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000819697877 606459152 /nfs/dbraw/zinc/45/91/52/606459152.db2.gz MYCPKOTWWYKVJI-UHFFFAOYSA-N -1 1 391.818 3.021 20 30 GGEDMM N#Cc1ccc(Oc2cccc(C(=O)OCc3ccnc(-c4nnn[n-]4)c3)c2)cc1 ZINC000822832955 606652007 /nfs/dbraw/zinc/65/20/07/606652007.db2.gz KGKCTWYNQPURFH-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM N#Cc1ccc(Oc2cccc(C(=O)OCc3ccnc(-c4nn[n-]n4)c3)c2)cc1 ZINC000822832955 606652008 /nfs/dbraw/zinc/65/20/08/606652008.db2.gz KGKCTWYNQPURFH-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000820196866 606836762 /nfs/dbraw/zinc/83/67/62/606836762.db2.gz DTWHJYRIXRPIKI-UHFFFAOYSA-N -1 1 396.411 3.307 20 30 GGEDMM CC1CC(C#N)(C(=O)NCc2cccc(-c3ccc(-c4nn[n-]n4)s3)c2)C1 ZINC000820643338 606906941 /nfs/dbraw/zinc/90/69/41/606906941.db2.gz USDJATHBUTYGOG-UHFFFAOYSA-N -1 1 378.461 3.151 20 30 GGEDMM C#CCCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000819693618 606955264 /nfs/dbraw/zinc/95/52/64/606955264.db2.gz ULTKFODZXRSFIW-UHFFFAOYSA-N -1 1 379.395 3.331 20 30 GGEDMM C#CCCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000819693618 606955265 /nfs/dbraw/zinc/95/52/65/606955265.db2.gz ULTKFODZXRSFIW-UHFFFAOYSA-N -1 1 379.395 3.331 20 30 GGEDMM CC(C)(C)c1nc(-c2nn[n-]n2)c(N=NC2CSCCc3ccccc32)o1 ZINC000819966075 607035738 /nfs/dbraw/zinc/03/57/38/607035738.db2.gz VLAWXOVPOZTSLZ-UHFFFAOYSA-N -1 1 383.481 3.258 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000826340570 608184560 /nfs/dbraw/zinc/18/45/60/608184560.db2.gz CXSMAMCLUOUQSY-GFCCVEGCSA-N -1 1 388.387 3.349 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000826340570 608184562 /nfs/dbraw/zinc/18/45/62/608184562.db2.gz CXSMAMCLUOUQSY-GFCCVEGCSA-N -1 1 388.387 3.349 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000826340571 608184849 /nfs/dbraw/zinc/18/48/49/608184849.db2.gz CXSMAMCLUOUQSY-LBPRGKRZSA-N -1 1 388.387 3.349 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000826340571 608184851 /nfs/dbraw/zinc/18/48/51/608184851.db2.gz CXSMAMCLUOUQSY-LBPRGKRZSA-N -1 1 388.387 3.349 20 30 GGEDMM CCCc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2cccc(C)c2C)n1 ZINC000053359434 1406374660 /nfs/dbraw/zinc/37/46/60/1406374660.db2.gz KTLCAFCNOVVHMF-UHFFFAOYSA-N -1 1 384.505 3.378 20 30 GGEDMM CCc1cc2c(COC(=O)[C@@H](C)Oc3ccc(C#N)cc3)cc(=O)oc2cc1[O-] ZINC000006466740 1398554069 /nfs/dbraw/zinc/55/40/69/1398554069.db2.gz UUXIFOUXHIMGLP-CYBMUJFWSA-N -1 1 393.395 3.443 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000008294897 1398821363 /nfs/dbraw/zinc/82/13/63/1398821363.db2.gz FKJSLOBBHDPDSH-UHFFFAOYSA-N -1 1 384.379 3.422 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000055555717 1406999822 /nfs/dbraw/zinc/99/98/22/1406999822.db2.gz IODQTNONZAOMFY-UHFFFAOYSA-N -1 1 384.379 3.422 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)c(Cl)c2)c1 ZINC000055632972 1407032567 /nfs/dbraw/zinc/03/25/67/1407032567.db2.gz DCTYXWVWWXSHKO-UHFFFAOYSA-N -1 1 394.880 3.455 20 30 GGEDMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)cc1 ZINC000055640014 1407037036 /nfs/dbraw/zinc/03/70/36/1407037036.db2.gz YZDHZJMLEIURBI-UHFFFAOYSA-N -1 1 390.461 3.195 20 30 GGEDMM C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000023416583 1399558367 /nfs/dbraw/zinc/55/83/67/1399558367.db2.gz XDOMZODVWQNMRI-JTQLQIEISA-N -1 1 382.800 3.349 20 30 GGEDMM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000055651421 1407042616 /nfs/dbraw/zinc/04/26/16/1407042616.db2.gz OOMSOUUCXKOYJH-HNNXBMFYSA-N -1 1 383.473 3.374 20 30 GGEDMM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000055651420 1407042767 /nfs/dbraw/zinc/04/27/67/1407042767.db2.gz OOMSOUUCXKOYJH-OAHLLOKOSA-N -1 1 383.473 3.374 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)cc2OC(F)F)c(=O)o1 ZINC000024497003 1399637583 /nfs/dbraw/zinc/63/75/83/1399637583.db2.gz XDYUVESKBCVLIM-KQIUPUNMSA-N -1 1 388.269 3.118 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3ccc(C#N)cc3)n2)n[n-]c1=S ZINC000026091373 1399859360 /nfs/dbraw/zinc/85/93/60/1399859360.db2.gz RRTILOPCSSJLBA-UHFFFAOYSA-N -1 1 382.474 3.298 20 30 GGEDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc2C[C@@H]1C ZINC000028680939 1400183827 /nfs/dbraw/zinc/18/38/27/1400183827.db2.gz HZUKLDHMGIUYLO-NSHDSACASA-N -1 1 389.864 3.310 20 30 GGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000029329254 1400283692 /nfs/dbraw/zinc/28/36/92/1400283692.db2.gz LUVUNQWUAPVBLU-UHFFFAOYSA-N -1 1 390.421 3.012 20 30 GGEDMM CCCN(CC#N)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000056484355 1407345685 /nfs/dbraw/zinc/34/56/85/1407345685.db2.gz CUSBYSARMLPYQN-UHFFFAOYSA-N -1 1 375.425 3.002 20 30 GGEDMM CCCN(CC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000056484301 1407346258 /nfs/dbraw/zinc/34/62/58/1407346258.db2.gz YLJKGBTUOTZTHX-UHFFFAOYSA-N -1 1 389.452 3.311 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C[C@H](C)C#N)cc2)cc1C ZINC000045851410 1404224892 /nfs/dbraw/zinc/22/48/92/1404224892.db2.gz RXVHLTTXALGRCR-CQSZACIVSA-N -1 1 385.489 3.336 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C[C@@H](C)C#N)cc2)ccc1F ZINC000045851356 1404225075 /nfs/dbraw/zinc/22/50/75/1404225075.db2.gz UIBZEHAXOOWTOD-ZDUSSCGKSA-N -1 1 389.452 3.167 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C[C@H](C)C#N)cc2)ccc1F ZINC000045851358 1404225329 /nfs/dbraw/zinc/22/53/29/1404225329.db2.gz UIBZEHAXOOWTOD-CYBMUJFWSA-N -1 1 389.452 3.167 20 30 GGEDMM N#C[C@H](C(=O)c1ccc2c(c1)OCO2)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000046707024 1404559724 /nfs/dbraw/zinc/55/97/24/1404559724.db2.gz HOBQYFTZYLVJJW-GFCCVEGCSA-N -1 1 393.424 3.494 20 30 GGEDMM COc1ccc(C=CC(=O)c2cc(OC)c(OC)cc2C)cc1-c1nnn[n-]1 ZINC000737039808 1425698694 /nfs/dbraw/zinc/69/86/94/1425698694.db2.gz KPIZVDZCPGFNKS-FNORWQNLSA-N -1 1 380.404 3.097 20 30 GGEDMM CCCc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n[nH]1 ZINC000047362589 1404817225 /nfs/dbraw/zinc/81/72/25/1404817225.db2.gz HCXFLEFISRZASM-LBPRGKRZSA-N -1 1 381.461 3.029 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OC(F)F)cc2OC(F)F)c(=O)o1 ZINC000048520992 1405214903 /nfs/dbraw/zinc/21/49/03/1405214903.db2.gz XDYUVESKBCVLIM-PKXJPQMGSA-N -1 1 388.269 3.118 20 30 GGEDMM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394085 1405376371 /nfs/dbraw/zinc/37/63/71/1405376371.db2.gz LQCLSARFJSGYAI-CQSZACIVSA-N -1 1 396.357 3.289 20 30 GGEDMM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)cc1OC(F)F ZINC000823953842 1427030208 /nfs/dbraw/zinc/03/02/08/1427030208.db2.gz RZUWPTXNYVCBTB-UHFFFAOYSA-N -1 1 397.748 3.492 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CSc2ccccc21 ZINC000735420969 1427088104 /nfs/dbraw/zinc/08/81/04/1427088104.db2.gz WAOSUQLMDNQIPV-QGZVFWFLSA-N -1 1 392.488 3.411 20 30 GGEDMM C=C1CCN(C(=O)c2cccc(COc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000735403556 1427300129 /nfs/dbraw/zinc/30/01/29/1427300129.db2.gz YSYXFWQZYXPRCQ-UHFFFAOYSA-N -1 1 375.432 3.238 20 30 GGEDMM C=CCc1cc(C[N-]S(=O)(=O)c2c(F)cccc2F)cc(OC)c1OC ZINC000051164477 1405735644 /nfs/dbraw/zinc/73/56/44/1405735644.db2.gz PSDIRYWVKZUQDH-UHFFFAOYSA-N -1 1 383.416 3.189 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3)cc2)c1 ZINC000057124004 1407527801 /nfs/dbraw/zinc/52/78/01/1407527801.db2.gz ZZZFPUMLWJHNTQ-UHFFFAOYSA-N -1 1 391.452 3.289 20 30 GGEDMM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820480519 1428332941 /nfs/dbraw/zinc/33/29/41/1428332941.db2.gz LILDJLWUPRRMPC-ZDUSSCGKSA-N -1 1 377.404 3.200 20 30 GGEDMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000065223553 1408655109 /nfs/dbraw/zinc/65/51/09/1408655109.db2.gz TZJJEJXSEJYKKY-UHFFFAOYSA-N -1 1 383.473 3.340 20 30 GGEDMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(CC#N)C3CC3)c2)cc1 ZINC000065895292 1408749447 /nfs/dbraw/zinc/74/94/47/1408749447.db2.gz MUKKLJUIEBWWHK-UHFFFAOYSA-N -1 1 399.472 3.014 20 30 GGEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(CC#N)C3CC3)c2)cc1 ZINC000065895421 1408749453 /nfs/dbraw/zinc/74/94/53/1408749453.db2.gz WBIURRKVNVMHCZ-UHFFFAOYSA-N -1 1 399.472 3.014 20 30 GGEDMM COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737117233 1428345093 /nfs/dbraw/zinc/34/50/93/1428345093.db2.gz YJFKBISRGCHCSB-CQSZACIVSA-N -1 1 388.431 3.196 20 30 GGEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(N)=O)cc3)n2)cc1 ZINC000066543770 1408855322 /nfs/dbraw/zinc/85/53/22/1408855322.db2.gz ARNDGPIWSJRUDM-INIZCTEOSA-N -1 1 377.425 3.408 20 30 GGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000066587691 1408861764 /nfs/dbraw/zinc/86/17/64/1408861764.db2.gz OGAYBDWAJVDFGA-UHFFFAOYSA-N -1 1 378.406 3.359 20 30 GGEDMM CCn1c(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n[n-]c1=S ZINC000066636567 1408875090 /nfs/dbraw/zinc/87/50/90/1408875090.db2.gz JBPZPETVPHFZAK-UHFFFAOYSA-N -1 1 380.477 3.170 20 30 GGEDMM CC(C)n1c(CNC(=O)c2occc2COc2cccc(C#N)c2)n[n-]c1=S ZINC000066639595 1408875998 /nfs/dbraw/zinc/87/59/98/1408875998.db2.gz GWGAFJCRJVLWIC-UHFFFAOYSA-N -1 1 397.460 3.495 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000067027338 1408985001 /nfs/dbraw/zinc/98/50/01/1408985001.db2.gz FQXQUDGXVMTGHG-GFCCVEGCSA-N -1 1 395.488 3.072 20 30 GGEDMM Cn1c(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n[n-]c1=S ZINC000067051673 1408993477 /nfs/dbraw/zinc/99/34/77/1408993477.db2.gz HQMCWLJGGNOKGA-UHFFFAOYSA-N -1 1 379.445 3.114 20 30 GGEDMM CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000067572791 1409171861 /nfs/dbraw/zinc/17/18/61/1409171861.db2.gz JXOUJMAQXMVLAS-UHFFFAOYSA-N -1 1 377.367 3.449 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cn3cccn3)cc2)n1 ZINC000067895531 1409251134 /nfs/dbraw/zinc/25/11/34/1409251134.db2.gz HRJIWUYIHWNIAH-OAHLLOKOSA-N -1 1 380.429 3.055 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(F)F)c(OC)c2)n1 ZINC000067896596 1409251541 /nfs/dbraw/zinc/25/15/41/1409251541.db2.gz JLHVKHFBUKSKPN-SNVBAGLBSA-N -1 1 396.371 3.420 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC)c(OC(F)F)c2)n1 ZINC000067897807 1409252219 /nfs/dbraw/zinc/25/22/19/1409252219.db2.gz ATLSHFOZUFFQMY-SNVBAGLBSA-N -1 1 396.371 3.420 20 30 GGEDMM CC(C)n1c(C2CCN(C(=O)COc3ccccc3C#N)CC2)n[n-]c1=S ZINC000068435551 1409401974 /nfs/dbraw/zinc/40/19/74/1409401974.db2.gz FARLIBJVVHZRJA-UHFFFAOYSA-N -1 1 385.493 3.178 20 30 GGEDMM CCn1c(C2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000068453571 1409407616 /nfs/dbraw/zinc/40/76/16/1409407616.db2.gz NDMHQUZANIEQEL-ZDUSSCGKSA-N -1 1 385.493 3.006 20 30 GGEDMM CCc1cnc(C=CC(=O)c2cnn(-c3ccc(-c4nnn[n-]4)cc3)c2C)s1 ZINC000825733356 1428403541 /nfs/dbraw/zinc/40/35/41/1428403541.db2.gz DDASGEHZFNYVJU-CMDGGOBGSA-N -1 1 391.460 3.276 20 30 GGEDMM C=CCN(CC1CCCCC1)C(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000069788297 1409700498 /nfs/dbraw/zinc/70/04/98/1409700498.db2.gz ZWONTKHHZQNTKQ-UHFFFAOYSA-N -1 1 380.492 3.278 20 30 GGEDMM Cc1nc(CC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cs1 ZINC000069833446 1409712064 /nfs/dbraw/zinc/71/20/64/1409712064.db2.gz GMLAMKSFWUJARS-LBPRGKRZSA-N -1 1 384.486 3.047 20 30 GGEDMM Cn1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2Cc2ccccc2)c2ccccc21 ZINC000091888530 1410089780 /nfs/dbraw/zinc/08/97/80/1410089780.db2.gz ORFMJIBEDCKGES-LJQANCHMSA-N -1 1 397.500 3.488 20 30 GGEDMM Cc1cccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)nn2)c1 ZINC000102120454 1410566171 /nfs/dbraw/zinc/56/61/71/1410566171.db2.gz MZKHHZUVWAEZBO-AWEZNQCLSA-N -1 1 397.797 3.329 20 30 GGEDMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000102500230 1410639924 /nfs/dbraw/zinc/63/99/24/1410639924.db2.gz ZOHDDIWRQCZMEO-SGQUHAKNSA-N -1 1 398.846 3.430 20 30 GGEDMM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000102500226 1410640619 /nfs/dbraw/zinc/64/06/19/1410640619.db2.gz ZOHDDIWRQCZMEO-CSHXORCISA-N -1 1 398.846 3.430 20 30 GGEDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1F ZINC000103058110 1410823199 /nfs/dbraw/zinc/82/31/99/1410823199.db2.gz QZKZJNRHSUYZJW-UHFFFAOYSA-N -1 1 382.800 3.328 20 30 GGEDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000103442679 1410856980 /nfs/dbraw/zinc/85/69/80/1410856980.db2.gz UXIUMAQDFVRUCZ-CQSZACIVSA-N -1 1 389.452 3.309 20 30 GGEDMM C[C@@H](CC#N)N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000103442634 1410857038 /nfs/dbraw/zinc/85/70/38/1410857038.db2.gz XHSRVFODHBVDAX-ZDUSSCGKSA-N -1 1 375.425 3.001 20 30 GGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)CC#N)cc2)c1 ZINC000103443314 1410857228 /nfs/dbraw/zinc/85/72/28/1410857228.db2.gz HJVALDHXZKZBQD-MRXNPFEDSA-N -1 1 385.489 3.478 20 30 GGEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCC#Cc2ccccc2)cc1 ZINC000105537584 1411080093 /nfs/dbraw/zinc/08/00/93/1411080093.db2.gz OZKXUZAKGSXWSM-UHFFFAOYSA-N -1 1 376.485 3.474 20 30 GGEDMM C#CCOc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000108250547 1411459335 /nfs/dbraw/zinc/45/93/35/1411459335.db2.gz ANQTXMBIXQSMIX-UHFFFAOYSA-N -1 1 378.409 3.218 20 30 GGEDMM C=CCN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000108434901 1411499541 /nfs/dbraw/zinc/49/95/41/1411499541.db2.gz SRSPIGYUKLRFIU-UHFFFAOYSA-N -1 1 394.468 3.324 20 30 GGEDMM C#CCOc1cccc(NC(=O)Cn2c(-c3ccc(OC)cc3)n[n-]c2=S)c1 ZINC000108452501 1411505552 /nfs/dbraw/zinc/50/55/52/1411505552.db2.gz XVXKLKZCAHVUKI-UHFFFAOYSA-N -1 1 394.456 3.267 20 30 GGEDMM C=CCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000110368289 1411847208 /nfs/dbraw/zinc/84/72/08/1411847208.db2.gz AYMUZJWYLKDOTM-UHFFFAOYSA-N -1 1 388.445 3.163 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3(C#N)CCC3)c2)c1 ZINC000110480533 1411852308 /nfs/dbraw/zinc/85/23/08/1411852308.db2.gz PMSNXSKRRFHEQK-UHFFFAOYSA-N -1 1 383.473 3.280 20 30 GGEDMM N#C[C@@H](C(=O)CC[C@@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000111943460 1412060337 /nfs/dbraw/zinc/06/03/37/1412060337.db2.gz JNFAPURMXLHOQP-JSGCOSHPSA-N -1 1 385.489 3.389 20 30 GGEDMM N#C[C@@H](C(=O)CC[C@H]1CCCCO1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000111943465 1412060710 /nfs/dbraw/zinc/06/07/10/1412060710.db2.gz JNFAPURMXLHOQP-OCCSQVGLSA-N -1 1 385.489 3.389 20 30 GGEDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1 ZINC000111995010 1412065142 /nfs/dbraw/zinc/06/51/42/1412065142.db2.gz RYENMLSPMKRSKJ-UHFFFAOYSA-N -1 1 376.437 3.485 20 30 GGEDMM N#C[C@H](C(=O)C=CC1CCOCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000112222438 1412097519 /nfs/dbraw/zinc/09/75/19/1412097519.db2.gz OEPDJDHWPLPUGU-VBROQKIQSA-N -1 1 383.473 3.022 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCC3)cc1 ZINC000114674174 1412493339 /nfs/dbraw/zinc/49/33/39/1412493339.db2.gz KJDGXEPPXMRQAS-UHFFFAOYSA-N -1 1 393.472 3.262 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000114673524 1412493441 /nfs/dbraw/zinc/49/34/41/1412493441.db2.gz OEYYXUZAMWDXOA-UHFFFAOYSA-N -1 1 395.362 3.480 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000114850171 1412541371 /nfs/dbraw/zinc/54/13/71/1412541371.db2.gz WVQHSMBOLMXTJM-HZPDHXFCSA-N -1 1 385.489 3.281 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C#N)CC3)ccc2C)cc1 ZINC000116191795 1412841019 /nfs/dbraw/zinc/84/10/19/1412841019.db2.gz RSSZEIRSCVZXKP-UHFFFAOYSA-N -1 1 397.500 3.480 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000823909998 1428693043 /nfs/dbraw/zinc/69/30/43/1428693043.db2.gz VOMYKXWYITVXPP-VQIMIIECSA-N -1 1 383.496 3.223 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000119055977 1413318960 /nfs/dbraw/zinc/31/89/60/1413318960.db2.gz JXCWVFIVXPVWIK-DNVCBOLYSA-N -1 1 379.460 3.158 20 30 GGEDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000736817708 1428720106 /nfs/dbraw/zinc/72/01/06/1428720106.db2.gz HDPKINFSGLIDAL-UHFFFAOYSA-N -1 1 383.868 3.221 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(OC)ccc1OCOC ZINC000823914323 1428762409 /nfs/dbraw/zinc/76/24/09/1428762409.db2.gz FUZBMICKJRHRSC-UHFFFAOYSA-N -1 1 395.463 3.046 20 30 GGEDMM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cc(F)ccc1F ZINC000121020349 1413979194 /nfs/dbraw/zinc/97/91/94/1413979194.db2.gz SNIOKXSIERWGGB-AWEZNQCLSA-N -1 1 381.360 3.174 20 30 GGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000121191479 1414039584 /nfs/dbraw/zinc/03/95/84/1414039584.db2.gz JLESZBCDTZAYQH-UHFFFAOYSA-N -1 1 390.852 3.320 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)cc1Cl ZINC000121239291 1414054831 /nfs/dbraw/zinc/05/48/31/1414054831.db2.gz TZMHVQFVOBJMPH-UHFFFAOYSA-N -1 1 389.864 3.248 20 30 GGEDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cc(-c2nnn[n-]2)cs1 ZINC000823635515 1428787688 /nfs/dbraw/zinc/78/76/88/1428787688.db2.gz ZOKSGHPCBLEOKF-UHFFFAOYSA-N -1 1 383.315 3.301 20 30 GGEDMM CN(Cc1cccc(-c2nn[n-]n2)c1)c1c(C#N)cnc2c(F)cc(F)cc21 ZINC000736822741 1428788986 /nfs/dbraw/zinc/78/89/86/1428788986.db2.gz SOOJOHYWIPBLQB-UHFFFAOYSA-N -1 1 377.358 3.201 20 30 GGEDMM Cc1csc(-c2cccc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2)n1 ZINC000737448106 1428789310 /nfs/dbraw/zinc/78/93/10/1428789310.db2.gz JWHCBIRLPZUVKT-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM CC[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000122181901 1414381907 /nfs/dbraw/zinc/38/19/07/1414381907.db2.gz BJJFSXQKSYHUTC-MRXNPFEDSA-N -1 1 376.409 3.394 20 30 GGEDMM CC[C@@H](C#N)OC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000122184474 1414382847 /nfs/dbraw/zinc/38/28/47/1414382847.db2.gz JUTWGQPGGQSGJH-INIZCTEOSA-N -1 1 376.409 3.394 20 30 GGEDMM N#Cc1cccc(OCCCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826387423 1428804276 /nfs/dbraw/zinc/80/42/76/1428804276.db2.gz USIHOKVBFBYPCN-UHFFFAOYSA-N -1 1 395.394 3.170 20 30 GGEDMM CC(C)c1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n(C)n1 ZINC000177590192 1428804925 /nfs/dbraw/zinc/80/49/25/1428804925.db2.gz MMTGLTWYZFDJNA-LBPRGKRZSA-N -1 1 395.488 3.210 20 30 GGEDMM CC(C)c1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1C ZINC000177590232 1428805074 /nfs/dbraw/zinc/80/50/74/1428805074.db2.gz JMAVSCXEJZEBAI-GFCCVEGCSA-N -1 1 395.488 3.210 20 30 GGEDMM CC[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736309593 1428811305 /nfs/dbraw/zinc/81/13/05/1428811305.db2.gz QGYRHQFNWFFJMX-ZDUSSCGKSA-N -1 1 382.811 3.344 20 30 GGEDMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177619113 1428812564 /nfs/dbraw/zinc/81/25/64/1428812564.db2.gz WGZAFYCIRIJYMS-UHFFFAOYSA-N -1 1 383.351 3.336 20 30 GGEDMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000177620158 1428813024 /nfs/dbraw/zinc/81/30/24/1428813024.db2.gz LXTJYAXEFMXYQT-UHFFFAOYSA-N -1 1 384.335 3.164 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1C(F)(F)F ZINC000177621329 1428813196 /nfs/dbraw/zinc/81/31/96/1428813196.db2.gz OWCMIPANRFNMRF-UHFFFAOYSA-N -1 1 378.335 3.321 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1C(F)(F)F ZINC000177620905 1428813281 /nfs/dbraw/zinc/81/32/81/1428813281.db2.gz FZZDHOQWQVMHHX-UHFFFAOYSA-N -1 1 395.362 3.263 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1C(F)(F)F ZINC000177622962 1428814058 /nfs/dbraw/zinc/81/40/58/1428814058.db2.gz BMGBMMCLHRKIQB-UHFFFAOYSA-N -1 1 393.350 3.163 20 30 GGEDMM C=CCn1c(-c2sc(NC(=O)CCCn3ccnc3)nc2C)n[n-]c1=S ZINC000122722711 1414548434 /nfs/dbraw/zinc/54/84/34/1414548434.db2.gz ANAMYNJODOAMBN-UHFFFAOYSA-N -1 1 389.510 3.174 20 30 GGEDMM C=CCN(CC=C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735418844 1428821471 /nfs/dbraw/zinc/82/14/71/1428821471.db2.gz JWMSOOAVHMMRNZ-UHFFFAOYSA-N -1 1 375.432 3.260 20 30 GGEDMM C=CCCS(=O)(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000123047728 1414626814 /nfs/dbraw/zinc/62/68/14/1414626814.db2.gz RBWJOKMUVKAIBM-UHFFFAOYSA-N -1 1 394.518 3.422 20 30 GGEDMM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccc(C)o1 ZINC000177668407 1428828398 /nfs/dbraw/zinc/82/83/98/1428828398.db2.gz WNPRGRUYSJWNMJ-AWEZNQCLSA-N -1 1 388.367 3.145 20 30 GGEDMM N#C[C@H](C(=O)CSc1ccncc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123441124 1414732948 /nfs/dbraw/zinc/73/29/48/1414732948.db2.gz OWUNRDZZHRPNLJ-CYBMUJFWSA-N -1 1 396.497 3.227 20 30 GGEDMM N#C[C@H](C(=O)[C@H]1CC1(Cl)Cl)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000123453954 1414736588 /nfs/dbraw/zinc/73/65/88/1414736588.db2.gz ZZFIQUDIMSIFIZ-RKDXNWHRSA-N -1 1 382.272 3.233 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(OC(F)F)cc1 ZINC000124172505 1414899765 /nfs/dbraw/zinc/89/97/65/1414899765.db2.gz ZXCCFMNEUOPZBC-VIFPVBQESA-N -1 1 388.342 3.477 20 30 GGEDMM CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000177742963 1428847614 /nfs/dbraw/zinc/84/76/14/1428847614.db2.gz BOBWXVJPOGUNSJ-LBPRGKRZSA-N -1 1 384.486 3.292 20 30 GGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(N3CCCS3(=O)=O)c2)n1 ZINC000177759374 1428851568 /nfs/dbraw/zinc/85/15/68/1428851568.db2.gz TXSWOTFMQJYCHK-HNNXBMFYSA-N -1 1 389.502 3.296 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2C(C)(C)C)c(=O)o1 ZINC000124876728 1415064575 /nfs/dbraw/zinc/06/45/75/1415064575.db2.gz ICFNXRGHBGTCDC-VYENPZKTSA-N -1 1 378.428 3.398 20 30 GGEDMM COc1ccc(-c2nc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cs2)cc1 ZINC000125063316 1415102066 /nfs/dbraw/zinc/10/20/66/1415102066.db2.gz TZQDAXGFJQKNRM-AWEZNQCLSA-N -1 1 378.413 3.175 20 30 GGEDMM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000125260888 1415144974 /nfs/dbraw/zinc/14/49/74/1415144974.db2.gz AMNPRIOXATUYJI-OAHLLOKOSA-N -1 1 376.441 3.399 20 30 GGEDMM C[C@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000820321952 1428870337 /nfs/dbraw/zinc/87/03/37/1428870337.db2.gz OREROIVLYOOOOE-HNNXBMFYSA-N -1 1 390.447 3.165 20 30 GGEDMM N#Cc1cccc(OCCCCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737730278 1428886080 /nfs/dbraw/zinc/88/60/80/1428886080.db2.gz HWNGRRQAORXOAS-UHFFFAOYSA-N -1 1 380.383 3.065 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)C#N)c2)cc1C ZINC000125799006 1415284589 /nfs/dbraw/zinc/28/45/89/1415284589.db2.gz FKWCYGIHENSXDO-ZDUSSCGKSA-N -1 1 391.880 3.400 20 30 GGEDMM CC[C@@H](C#N)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000825038780 1428904062 /nfs/dbraw/zinc/90/40/62/1428904062.db2.gz IDEGRFUBGIFGQQ-HNNXBMFYSA-N -1 1 378.461 3.191 20 30 GGEDMM COc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC(C)C ZINC000826179103 1428917239 /nfs/dbraw/zinc/91/72/39/1428917239.db2.gz ZIQJKAQODFVRNZ-UHFFFAOYSA-N -1 1 387.831 3.157 20 30 GGEDMM COc1cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC(C)C ZINC000826179103 1428917241 /nfs/dbraw/zinc/91/72/41/1428917241.db2.gz ZIQJKAQODFVRNZ-UHFFFAOYSA-N -1 1 387.831 3.157 20 30 GGEDMM COc1cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OC(C)C ZINC000826179103 1428917244 /nfs/dbraw/zinc/91/72/44/1428917244.db2.gz ZIQJKAQODFVRNZ-UHFFFAOYSA-N -1 1 387.831 3.157 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ncccc1C(F)(F)F ZINC000823914911 1428908178 /nfs/dbraw/zinc/90/81/78/1428908178.db2.gz OKGWMATYNALJAF-UHFFFAOYSA-N -1 1 388.353 3.109 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(N2CCCC2)c1 ZINC000126285818 1415404108 /nfs/dbraw/zinc/40/41/08/1415404108.db2.gz OCZHRNIHQKBWMB-ZDUSSCGKSA-N -1 1 391.443 3.476 20 30 GGEDMM C=C(C)[C@H](CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)OCC ZINC000823874461 1428913356 /nfs/dbraw/zinc/91/33/56/1428913356.db2.gz XEDDUGQVKUJLJL-INIZCTEOSA-N -1 1 398.492 3.224 20 30 GGEDMM C[C@@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819844495 1428934673 /nfs/dbraw/zinc/93/46/73/1428934673.db2.gz ITCPFRRCOVETOF-NSHDSACASA-N -1 1 381.371 3.079 20 30 GGEDMM CC1(OCC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCC1 ZINC000820628622 1428940027 /nfs/dbraw/zinc/94/00/27/1428940027.db2.gz JSWQCSZUNMDBEJ-CQSZACIVSA-N -1 1 394.460 3.126 20 30 GGEDMM Cc1c(C(=O)C=Cc2cccnc2Cl)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737202448 1428951143 /nfs/dbraw/zinc/95/11/43/1428951143.db2.gz MMOGXAOSSCRMBM-TWGQIWQCSA-N -1 1 391.822 3.305 20 30 GGEDMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC#N)ccc2C)cc1 ZINC000126894498 1415597977 /nfs/dbraw/zinc/59/79/77/1415597977.db2.gz MRZWLYIXPKHKGN-UHFFFAOYSA-N -1 1 385.489 3.392 20 30 GGEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1cccc(C(=O)NCC#N)c1 ZINC000126923817 1415610957 /nfs/dbraw/zinc/61/09/57/1415610957.db2.gz GPLFDKNERSVVNS-UHFFFAOYSA-N -1 1 385.489 3.347 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000127540553 1415807394 /nfs/dbraw/zinc/80/73/94/1415807394.db2.gz FVGFUURZWOSTIZ-IBGZPJMESA-N -1 1 389.452 3.357 20 30 GGEDMM COc1ccc(COc2ccc(Br)cc2C#N)cc1-c1nnn[n-]1 ZINC000826207119 1428999194 /nfs/dbraw/zinc/99/91/94/1428999194.db2.gz ATLYHKUPVWGHGO-UHFFFAOYSA-N -1 1 386.209 3.088 20 30 GGEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127687107 1415833013 /nfs/dbraw/zinc/83/30/13/1415833013.db2.gz HRJMPZJWRNYYEA-ZDUSSCGKSA-N -1 1 393.384 3.074 20 30 GGEDMM COCCOc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826162754 1429027916 /nfs/dbraw/zinc/02/79/16/1429027916.db2.gz QWBBCSOXFQHUOV-UHFFFAOYSA-N -1 1 386.843 3.381 20 30 GGEDMM N#Cc1c(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cn2ccccc12 ZINC000826382914 1429019544 /nfs/dbraw/zinc/01/95/44/1429019544.db2.gz AMWOCZZCUASHEF-UHFFFAOYSA-N -1 1 381.443 3.280 20 30 GGEDMM N#C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000822801637 1429048998 /nfs/dbraw/zinc/04/89/98/1429048998.db2.gz LOFBWXHDDQGXEN-OAHLLOKOSA-N -1 1 387.230 3.097 20 30 GGEDMM N#Cc1ccccc1C=CC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826387149 1429081638 /nfs/dbraw/zinc/08/16/38/1429081638.db2.gz INAOXPQPMJTBPD-MDZDMXLPSA-N -1 1 382.427 3.067 20 30 GGEDMM C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccc(C#N)cc1 ZINC000736117861 1429090532 /nfs/dbraw/zinc/09/05/32/1429090532.db2.gz LHKVWHOJHFYSGF-JTQLQIEISA-N -1 1 399.361 3.222 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1OCC1CCOCC1 ZINC000130478672 1416384950 /nfs/dbraw/zinc/38/49/50/1416384950.db2.gz XMXCAPWDYIANEX-UHFFFAOYSA-N -1 1 386.473 3.473 20 30 GGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccn3)n2)c1 ZINC000131192735 1416521617 /nfs/dbraw/zinc/52/16/17/1416521617.db2.gz BVBVHQRAERPMHC-AWEZNQCLSA-N -1 1 378.413 3.175 20 30 GGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccccn3)n2)c1 ZINC000131192942 1416521808 /nfs/dbraw/zinc/52/18/08/1416521808.db2.gz BVBVHQRAERPMHC-CQSZACIVSA-N -1 1 378.413 3.175 20 30 GGEDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000131922974 1416652279 /nfs/dbraw/zinc/65/22/79/1416652279.db2.gz JWYFAQOXGITGDM-UHFFFAOYSA-N -1 1 383.351 3.336 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000134085812 1417020009 /nfs/dbraw/zinc/02/00/09/1417020009.db2.gz WDJIRSRROZORDX-OALUTQOASA-N -1 1 386.473 3.350 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000134086253 1417020099 /nfs/dbraw/zinc/02/00/99/1417020099.db2.gz WDJIRSRROZORDX-MOPGFXCFSA-N -1 1 386.473 3.350 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000134674120 1417110967 /nfs/dbraw/zinc/11/09/67/1417110967.db2.gz VPEHBLULSUYJIR-UHFFFAOYSA-N -1 1 391.452 3.289 20 30 GGEDMM N#C[C@H](C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000826379484 1429159316 /nfs/dbraw/zinc/15/93/16/1429159316.db2.gz SQYOZUZYTGFQKA-SECBINFHSA-N -1 1 397.370 3.087 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(Br)n1 ZINC000135244565 1417195131 /nfs/dbraw/zinc/19/51/31/1417195131.db2.gz QMHGPBZKSJZAFM-UHFFFAOYSA-N -1 1 386.658 3.478 20 30 GGEDMM CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000135367739 1417211754 /nfs/dbraw/zinc/21/17/54/1417211754.db2.gz DQRLDXARQRPOIB-UHFFFAOYSA-N -1 1 389.452 3.370 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4cccs4)[nH]c3c2)cn1 ZINC000135497988 1417229244 /nfs/dbraw/zinc/22/92/44/1417229244.db2.gz GEQGGHTXIFPPOC-UHFFFAOYSA-N -1 1 381.442 3.359 20 30 GGEDMM N#C[C@@H](C(=O)C=Cc1cncc(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136145084 1417295432 /nfs/dbraw/zinc/29/54/32/1417295432.db2.gz NQCDPGJQMIKXPX-GJBLVYBDSA-N -1 1 394.431 3.287 20 30 GGEDMM N#C[C@H](C(=O)C=Cc1cncc(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136145036 1417295506 /nfs/dbraw/zinc/29/55/06/1417295506.db2.gz NQCDPGJQMIKXPX-VBROQKIQSA-N -1 1 394.431 3.287 20 30 GGEDMM C=C(C)COCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000136146982 1417295592 /nfs/dbraw/zinc/29/55/92/1417295592.db2.gz QPHXDNHQGUKBTR-UHFFFAOYSA-N -1 1 388.489 3.118 20 30 GGEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(-c2ccccn2)s1 ZINC000136650377 1417335106 /nfs/dbraw/zinc/33/51/06/1417335106.db2.gz FAZMQUGUDTZHSS-GFCCVEGCSA-N -1 1 378.413 3.175 20 30 GGEDMM COCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)s1 ZINC000136656149 1417335807 /nfs/dbraw/zinc/33/58/07/1417335807.db2.gz KVIFMMRCHCBRTH-JTQLQIEISA-N -1 1 381.816 3.352 20 30 GGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C#N ZINC000137370857 1417382003 /nfs/dbraw/zinc/38/20/03/1417382003.db2.gz XZJIDYHWQRGHJN-IYBDPMFKSA-N -1 1 385.489 3.281 20 30 GGEDMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(C#Cc4ccccc4)c3)ccc2N1 ZINC000138475201 1417418615 /nfs/dbraw/zinc/41/86/15/1417418615.db2.gz OATRWDTXXVMITE-UHFFFAOYSA-N -1 1 388.448 3.382 20 30 GGEDMM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736189071 1429196196 /nfs/dbraw/zinc/19/61/96/1429196196.db2.gz AIPCUDLFNJBCLZ-SNVBAGLBSA-N -1 1 396.501 3.408 20 30 GGEDMM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OCC#N)c(OC)c1 ZINC000825351449 1429207370 /nfs/dbraw/zinc/20/73/70/1429207370.db2.gz FDFAZIGZSPHXJH-UHFFFAOYSA-N -1 1 389.419 3.204 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000150973999 1417846706 /nfs/dbraw/zinc/84/67/06/1417846706.db2.gz AMKFFDCPKNIXRY-UHFFFAOYSA-N -1 1 375.413 3.297 20 30 GGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000178955311 1429228107 /nfs/dbraw/zinc/22/81/07/1429228107.db2.gz JSXRQNMXYASSQI-UHFFFAOYSA-N -1 1 377.425 3.411 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1 ZINC000179064668 1429252912 /nfs/dbraw/zinc/25/29/12/1429252912.db2.gz LNTIKJMCEUKWRV-UHFFFAOYSA-N -1 1 396.222 3.338 20 30 GGEDMM C=CCOc1ccc(OC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)cc1 ZINC000819759233 1429297661 /nfs/dbraw/zinc/29/76/61/1429297661.db2.gz QHWQMQJQUPJRCE-LJQANCHMSA-N -1 1 394.431 3.441 20 30 GGEDMM N#CC(=C([O-])c1ccc(N2CCCC2)nn1)c1nc2ccccc2n1C(F)F ZINC000179224475 1429299626 /nfs/dbraw/zinc/29/96/26/1429299626.db2.gz XYINGKBUBLOLTG-GFCCVEGCSA-N -1 1 382.374 3.312 20 30 GGEDMM C=C(C)Cn1c(SCc2cccc(-c3nnn[n-]3)c2)nnc1-c1ccncc1 ZINC000819722792 1429300053 /nfs/dbraw/zinc/30/00/53/1429300053.db2.gz QVWDZKZTYMWUMC-UHFFFAOYSA-N -1 1 390.476 3.389 20 30 GGEDMM CC[C@H](C#N)Oc1cccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)c1 ZINC000736308179 1429336950 /nfs/dbraw/zinc/33/69/50/1429336950.db2.gz ACGOIOVQEVPZTJ-CQSZACIVSA-N -1 1 386.419 3.103 20 30 GGEDMM N#Cc1cccc(-c2nnc(COc3cc(Cl)ccc3-c3nnn[n-]3)o2)c1 ZINC000822837561 1429339993 /nfs/dbraw/zinc/33/99/93/1429339993.db2.gz NXHPILKFGNSFQI-UHFFFAOYSA-N -1 1 379.767 3.021 20 30 GGEDMM O=C(C=Cc1ccc(O)c(Br)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400607 1429403965 /nfs/dbraw/zinc/40/39/65/1429403965.db2.gz CDHKMVQGUFGSBZ-RQOWECAXSA-N -1 1 377.223 3.292 20 30 GGEDMM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(OC)c(-c4nnn[n-]4)c3)c2c1 ZINC000737115348 1429409994 /nfs/dbraw/zinc/40/99/94/1429409994.db2.gz OTTUJRDQPSEPQX-XVNBXDOJSA-N -1 1 375.388 3.261 20 30 GGEDMM Clc1cc(N=NCc2nccn2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000826351203 1429411140 /nfs/dbraw/zinc/41/11/40/1429411140.db2.gz CAWHFOXFZODTBN-UHFFFAOYSA-N -1 1 378.827 3.211 20 30 GGEDMM Clc1cc(NN=Cc2nccn2Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC000826351203 1429411143 /nfs/dbraw/zinc/41/11/43/1429411143.db2.gz CAWHFOXFZODTBN-UHFFFAOYSA-N -1 1 378.827 3.211 20 30 GGEDMM N#C[C@@H](C(=O)c1sccc1-c1nn[n-]n1)c1nc2ccccc2n1C(F)F ZINC000737674346 1429425164 /nfs/dbraw/zinc/42/51/64/1429425164.db2.gz VRMWOZKMFWUXPB-VIFPVBQESA-N -1 1 385.359 3.163 20 30 GGEDMM C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820455118 1429438680 /nfs/dbraw/zinc/43/86/80/1429438680.db2.gz DKLPHTWLWJPJHF-NSHDSACASA-N -1 1 386.375 3.368 20 30 GGEDMM C=CCN(Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000823919801 1429459756 /nfs/dbraw/zinc/45/97/56/1429459756.db2.gz RHEQQXGNBZBFJN-UHFFFAOYSA-N -1 1 385.475 3.455 20 30 GGEDMM C=CCN(Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000823919801 1429459760 /nfs/dbraw/zinc/45/97/60/1429459760.db2.gz RHEQQXGNBZBFJN-UHFFFAOYSA-N -1 1 385.475 3.455 20 30 GGEDMM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000824713500 1429460204 /nfs/dbraw/zinc/46/02/04/1429460204.db2.gz IUSFEVBHTPJDET-KUHUBIRLSA-N -1 1 388.431 3.012 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000823909419 1429462687 /nfs/dbraw/zinc/46/26/87/1429462687.db2.gz CQKZTGUMQVKDRQ-UHFFFAOYSA-N -1 1 388.435 3.272 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(-c2cccs2)n1 ZINC000826360153 1429466171 /nfs/dbraw/zinc/46/61/71/1429466171.db2.gz ZBUWWOAXPSKUOB-FNORWQNLSA-N -1 1 380.408 3.364 20 30 GGEDMM C[C@@H](CSCc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820292407 1429483866 /nfs/dbraw/zinc/48/38/66/1429483866.db2.gz FIMBOYJFHVQHRH-ZDUSSCGKSA-N -1 1 378.461 3.246 20 30 GGEDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000152648506 1422187398 /nfs/dbraw/zinc/18/73/98/1422187398.db2.gz LOPFRJQWBSQMRU-UHFFFAOYSA-N -1 1 375.406 3.363 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1[N+](=O)[O-] ZINC000152651259 1422189254 /nfs/dbraw/zinc/18/92/54/1422189254.db2.gz IYPMLAXTGKZULU-UHFFFAOYSA-N -1 1 375.406 3.363 20 30 GGEDMM CC(C)C[C@@H](C#N)NC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735756097 1429540967 /nfs/dbraw/zinc/54/09/67/1429540967.db2.gz LELYCHJPDPNNPT-SFHVURJKSA-N -1 1 390.447 3.114 20 30 GGEDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153563272 1422617685 /nfs/dbraw/zinc/61/76/85/1422617685.db2.gz HQFUGOYVLQDMLI-SFHVURJKSA-N -1 1 377.448 3.146 20 30 GGEDMM CCN(Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C[C@H](C)C#N ZINC000825435283 1429584170 /nfs/dbraw/zinc/58/41/70/1429584170.db2.gz SEXPLKSDPOQJPZ-MRXNPFEDSA-N -1 1 376.464 3.427 20 30 GGEDMM C#CCCCCNC(=O)N(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000154855883 1423056693 /nfs/dbraw/zinc/05/66/93/1423056693.db2.gz ZBNHZEBJOUKRAU-UHFFFAOYSA-N -1 1 399.516 3.432 20 30 GGEDMM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccc(Cl)cc1C#N ZINC000824178089 1423219912 /nfs/dbraw/zinc/21/99/12/1423219912.db2.gz MJMZBIDPIJISQP-UHFFFAOYSA-N -1 1 397.822 3.293 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(-c3nnn[n-]3)s2)c1C#N ZINC000826234208 1423248024 /nfs/dbraw/zinc/24/80/24/1423248024.db2.gz MHRFALOISRYVKQ-UHFFFAOYSA-N -1 1 389.444 3.460 20 30 GGEDMM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CSc1ccc(C#N)cc1 ZINC000735904714 1423311278 /nfs/dbraw/zinc/31/12/78/1423311278.db2.gz AGKNHDCTUSZLRV-UHFFFAOYSA-N -1 1 394.460 3.256 20 30 GGEDMM C=CCCOCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000155405139 1423351071 /nfs/dbraw/zinc/35/10/71/1423351071.db2.gz MDCJADWBTASYDO-UHFFFAOYSA-N -1 1 388.489 3.118 20 30 GGEDMM N#C[C@H](C(=O)Nc1ccccc1F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155663139 1423475069 /nfs/dbraw/zinc/47/50/69/1423475069.db2.gz XPLPPYXINQFJIQ-NSHDSACASA-N -1 1 382.420 3.248 20 30 GGEDMM N#C[C@@H](C(=O)Nc1cccc(F)c1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155667533 1423477097 /nfs/dbraw/zinc/47/70/97/1423477097.db2.gz GWBLIQMYCPEEFF-CYBMUJFWSA-N -1 1 382.420 3.248 20 30 GGEDMM Cc1ccc(NC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1 ZINC000155668332 1423477373 /nfs/dbraw/zinc/47/73/73/1423477373.db2.gz YCXABKGAICNMAR-CQSZACIVSA-N -1 1 378.457 3.418 20 30 GGEDMM N#C[C@@H]1CC[C@@H](OC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000179932543 1429648497 /nfs/dbraw/zinc/64/84/97/1429648497.db2.gz NSYMBOOVVLCMRW-CXAGYDPISA-N -1 1 388.420 3.476 20 30 GGEDMM N#C[C@H]1CC[C@H](OC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C1 ZINC000179932525 1429648807 /nfs/dbraw/zinc/64/88/07/1429648807.db2.gz NSYMBOOVVLCMRW-GUYCJALGSA-N -1 1 388.420 3.476 20 30 GGEDMM CC(C)CCN(CCC#N)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000824249767 1423534331 /nfs/dbraw/zinc/53/43/31/1423534331.db2.gz UHYMZDLPPUSPSL-UHFFFAOYSA-N -1 1 378.484 3.029 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2c[nH]nc2-c2c(F)cccc2F)o1 ZINC000824352445 1423596019 /nfs/dbraw/zinc/59/60/19/1423596019.db2.gz DIPMAZCHSRNROB-UHFFFAOYSA-N -1 1 399.365 3.092 20 30 GGEDMM Cn1cc(C=CC(=O)c2cnc3[nH]cccc2-3)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359816 1423656615 /nfs/dbraw/zinc/65/66/15/1423656615.db2.gz RBPRYKBGJLJUGS-HJWRWDBZSA-N -1 1 396.414 3.040 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000735420696 1423665578 /nfs/dbraw/zinc/66/55/78/1423665578.db2.gz QFFSFNFZIWUTOB-UHFFFAOYSA-N -1 1 392.467 3.174 20 30 GGEDMM N#Cc1ccccc1-c1ccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826387042 1423687626 /nfs/dbraw/zinc/68/76/26/1423687626.db2.gz DANFVRUECWEOGT-UHFFFAOYSA-N -1 1 394.438 3.264 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822801603 1429672608 /nfs/dbraw/zinc/67/26/08/1429672608.db2.gz KSAIVWFSYNZXPI-SJLPKXTDSA-N -1 1 391.410 3.309 20 30 GGEDMM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc(C#N)c1 ZINC000820373844 1423811863 /nfs/dbraw/zinc/81/18/63/1423811863.db2.gz JSYOPGHAAPVGQK-GFCCVEGCSA-N -1 1 378.440 3.178 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(C#N)cc2F)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822015839 1423816667 /nfs/dbraw/zinc/81/66/67/1423816667.db2.gz PUSIWTXXUGESKV-RMKNXTFCSA-N -1 1 399.389 3.268 20 30 GGEDMM CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000825631590 1423884803 /nfs/dbraw/zinc/88/48/03/1423884803.db2.gz DHMCRIGGOMLMFG-FNORWQNLSA-N -1 1 383.339 3.209 20 30 GGEDMM N#Cc1ccc2nc(NCc3nc(-c4cccc(-c5nn[n-]n5)c4)c[nH]3)ccc2c1 ZINC000826386745 1429684625 /nfs/dbraw/zinc/68/46/25/1429684625.db2.gz RFZDAYBPYZMNPP-UHFFFAOYSA-N -1 1 393.414 3.289 20 30 GGEDMM CC(C)CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735819779 1423903887 /nfs/dbraw/zinc/90/38/87/1423903887.db2.gz LFCUNXVDBCGPMI-UHFFFAOYSA-N -1 1 376.420 3.416 20 30 GGEDMM C#Cc1cccc(N(CC)C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735390665 1423961899 /nfs/dbraw/zinc/96/18/99/1423961899.db2.gz BCTDTMPXZWXDML-UHFFFAOYSA-N -1 1 377.473 3.134 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1nc(C(C)(C)C)cs1 ZINC000157324937 1423984673 /nfs/dbraw/zinc/98/46/73/1423984673.db2.gz FXSMXZWRNNPPEZ-JTQLQIEISA-N -1 1 394.478 3.260 20 30 GGEDMM Cc1cc(Cl)cc2c1OCCC2=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826267516 1424042376 /nfs/dbraw/zinc/04/23/76/1424042376.db2.gz JFCJUDHRUBPXPM-UHFFFAOYSA-N -1 1 390.234 3.476 20 30 GGEDMM Cc1cc(Cl)cc2c1OCCC2=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826267516 1424042382 /nfs/dbraw/zinc/04/23/82/1424042382.db2.gz JFCJUDHRUBPXPM-UHFFFAOYSA-N -1 1 390.234 3.476 20 30 GGEDMM Cc1cc(Cl)cc2c1OCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826267516 1424042388 /nfs/dbraw/zinc/04/23/88/1424042388.db2.gz JFCJUDHRUBPXPM-UHFFFAOYSA-N -1 1 390.234 3.476 20 30 GGEDMM C[C@@H]1CC(NC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)=NO1 ZINC000824894355 1424133619 /nfs/dbraw/zinc/13/36/19/1424133619.db2.gz YSGMUZOQKNKVKV-SNVBAGLBSA-N -1 1 398.810 3.165 20 30 GGEDMM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000158068881 1424156301 /nfs/dbraw/zinc/15/63/01/1424156301.db2.gz MFMUCXPHMVJSAE-UHFFFAOYSA-N -1 1 395.843 3.290 20 30 GGEDMM C[C@H](C#N)CN(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735506433 1424160836 /nfs/dbraw/zinc/16/08/36/1424160836.db2.gz WSEUGBVUECAAPO-CYBMUJFWSA-N -1 1 377.408 3.282 20 30 GGEDMM N#Cc1cccc(OCc2ccoc2C(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737730103 1424195683 /nfs/dbraw/zinc/19/56/83/1424195683.db2.gz FVTMMNPHDGKEAJ-UHFFFAOYSA-N -1 1 387.355 3.130 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820313166 1429707024 /nfs/dbraw/zinc/70/70/24/1429707024.db2.gz BLBDQKVYNNTECH-LIRRHRJNSA-N -1 1 390.447 3.019 20 30 GGEDMM N#Cc1cccc(CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1 ZINC000822837116 1424249507 /nfs/dbraw/zinc/24/95/07/1424249507.db2.gz FOACZUWLDMEQLZ-UHFFFAOYSA-N -1 1 384.399 3.107 20 30 GGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736482316 1424299201 /nfs/dbraw/zinc/29/92/01/1424299201.db2.gz ZCESKBYBZUCXAT-UHFFFAOYSA-N -1 1 379.399 3.322 20 30 GGEDMM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1cccc(Cl)c1Cl ZINC000822801643 1424413170 /nfs/dbraw/zinc/41/31/70/1424413170.db2.gz LOJZOIXWANBIOI-SNVBAGLBSA-N -1 1 379.232 3.230 20 30 GGEDMM S=c1[nH]nc(-c2cccc(Cl)c2)n1N=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823738377 1424417766 /nfs/dbraw/zinc/41/77/66/1424417766.db2.gz SRMKSFXHERONIG-UHFFFAOYSA-N -1 1 388.869 3.011 20 30 GGEDMM S=c1[nH]nc(-c2cccc(Cl)c2)n1N=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823738377 1424417767 /nfs/dbraw/zinc/41/77/67/1424417767.db2.gz SRMKSFXHERONIG-UHFFFAOYSA-N -1 1 388.869 3.011 20 30 GGEDMM N#Cc1ccc(OC2CCC(Nc3cccc(F)c3-c3nn[n-]n3)CC2)nc1 ZINC000826385878 1424438001 /nfs/dbraw/zinc/43/80/01/1424438001.db2.gz GDBDHWVYGXEFPW-UHFFFAOYSA-N -1 1 379.399 3.075 20 30 GGEDMM Cn1cc(C#N)cc1C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000822664884 1424543521 /nfs/dbraw/zinc/54/35/21/1424543521.db2.gz CGJOCNHDYDTZQJ-UHFFFAOYSA-N -1 1 385.387 3.121 20 30 GGEDMM C=CCc1cc(CN(CC=C)Cc2cccc(-c3nn[n-]n3)c2)cc(OC)c1O ZINC000823937111 1429734457 /nfs/dbraw/zinc/73/44/57/1429734457.db2.gz IJDFQHFHYVURAC-UHFFFAOYSA-N -1 1 391.475 3.498 20 30 GGEDMM C=CCc1cc(CN(CC=C)Cc2cccc(-c3nnn[n-]3)c2)cc(OC)c1O ZINC000823937111 1429734460 /nfs/dbraw/zinc/73/44/60/1429734460.db2.gz IJDFQHFHYVURAC-UHFFFAOYSA-N -1 1 391.475 3.498 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1-c1nnn[n-]1 ZINC000824329399 1424553386 /nfs/dbraw/zinc/55/33/86/1424553386.db2.gz OSMZEGDQQHCTMI-UHFFFAOYSA-N -1 1 388.431 3.461 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)c(OC)c(C)c1 ZINC000823915156 1424735367 /nfs/dbraw/zinc/73/53/67/1424735367.db2.gz SRORFFVBSQBTQH-UHFFFAOYSA-N -1 1 377.448 3.321 20 30 GGEDMM N#CCc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826382805 1424783122 /nfs/dbraw/zinc/78/31/22/1424783122.db2.gz VRRRKHXQOWWVBN-UHFFFAOYSA-N -1 1 387.428 3.309 20 30 GGEDMM CC[C@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000162166532 1424821893 /nfs/dbraw/zinc/82/18/93/1424821893.db2.gz QSJFVFIFOLRYII-GOSISDBHSA-N -1 1 375.425 3.049 20 30 GGEDMM N#C[C@H](C(=O)[C@H]1C[C@@H]1C1CC1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822801730 1424832805 /nfs/dbraw/zinc/83/28/05/1424832805.db2.gz NHJWPUDSKFJMKZ-QLFBSQMISA-N -1 1 376.445 3.213 20 30 GGEDMM Cc1sc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C ZINC000822553686 1424902714 /nfs/dbraw/zinc/90/27/14/1424902714.db2.gz OYWSNDLTQHIVCO-UHFFFAOYSA-N -1 1 382.449 3.213 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1coc(-c2ccccc2)n1 ZINC000735420702 1424913596 /nfs/dbraw/zinc/91/35/96/1424913596.db2.gz QNVNTPAQBOBVEC-UHFFFAOYSA-N -1 1 386.415 3.350 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=S)Nc1ccc(OC)c(F)c1 ZINC000735421392 1424922147 /nfs/dbraw/zinc/92/21/47/1424922147.db2.gz XZIGRCWJEMZDFQ-UHFFFAOYSA-N -1 1 398.467 3.399 20 30 GGEDMM N#C[C@@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C1CC1 ZINC000822801742 1424930349 /nfs/dbraw/zinc/93/03/49/1424930349.db2.gz NOOMFCFBARBZEO-MRXNPFEDSA-N -1 1 379.351 3.257 20 30 GGEDMM C=CCOc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccc(Cl)c(F)c2)cc1 ZINC000681125689 1424941987 /nfs/dbraw/zinc/94/19/87/1424941987.db2.gz PJAGHSCCGXYHJD-MRXNPFEDSA-N -1 1 387.802 3.076 20 30 GGEDMM C#CCCCCNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000163146984 1424949985 /nfs/dbraw/zinc/94/99/85/1424949985.db2.gz XNPYSUQLEVOCAS-UHFFFAOYSA-N -1 1 388.464 3.468 20 30 GGEDMM N#Cc1cccc(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826386631 1429764219 /nfs/dbraw/zinc/76/42/19/1429764219.db2.gz MLEFDVJXIYRZHU-UHFFFAOYSA-N -1 1 376.811 3.190 20 30 GGEDMM CCN(CCC#N)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821206492 1425014348 /nfs/dbraw/zinc/01/43/48/1425014348.db2.gz BTVSFNMSNFTKQO-UHFFFAOYSA-N -1 1 376.420 3.343 20 30 GGEDMM N#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000737673671 1425027436 /nfs/dbraw/zinc/02/74/36/1425027436.db2.gz BYPDOTJRAIIMPS-NSHDSACASA-N -1 1 379.232 3.230 20 30 GGEDMM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1cccc(Cl)c1 ZINC000823060484 1425042675 /nfs/dbraw/zinc/04/26/75/1425042675.db2.gz DHBFVHAOIKNKRA-UHFFFAOYSA-N -1 1 398.875 3.348 20 30 GGEDMM Cc1c(=O)[n-]c(SCC(=O)Nc2ccc(C#N)cc2)nc1-c1ccccc1 ZINC000163902731 1425056337 /nfs/dbraw/zinc/05/63/37/1425056337.db2.gz DRDLBCLLSKANMV-UHFFFAOYSA-N -1 1 376.441 3.348 20 30 GGEDMM N#Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1C(F)(F)F ZINC000822833800 1425061626 /nfs/dbraw/zinc/06/16/26/1425061626.db2.gz VQRRCVYAESDUPK-UHFFFAOYSA-N -1 1 375.289 3.342 20 30 GGEDMM C[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nc(C2CCCCC2)no1 ZINC000164021043 1425069173 /nfs/dbraw/zinc/06/91/73/1425069173.db2.gz MEPGPMDZXIOOJH-GFCCVEGCSA-N -1 1 392.456 3.309 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000735420116 1425073940 /nfs/dbraw/zinc/07/39/40/1425073940.db2.gz MKWNNQURRDKSCS-UHFFFAOYSA-N -1 1 377.383 3.098 20 30 GGEDMM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000826157305 1425097036 /nfs/dbraw/zinc/09/70/36/1425097036.db2.gz QBGDRAHSHRYNFQ-TWGQIWQCSA-N -1 1 382.395 3.317 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)c1 ZINC000164656365 1425132516 /nfs/dbraw/zinc/13/25/16/1425132516.db2.gz ROXWMKLDHJKKRU-UHFFFAOYSA-N -1 1 397.456 3.367 20 30 GGEDMM C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823937450 1425180558 /nfs/dbraw/zinc/18/05/58/1425180558.db2.gz YGUQLYJTLUKVQS-AWEZNQCLSA-N -1 1 394.504 3.434 20 30 GGEDMM C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823937450 1425180565 /nfs/dbraw/zinc/18/05/65/1425180565.db2.gz YGUQLYJTLUKVQS-AWEZNQCLSA-N -1 1 394.504 3.434 20 30 GGEDMM C[C@H]1CC(NC(=O)c2ccc(Oc3ccccc3-c3nnn[n-]3)c(Cl)c2)=NO1 ZINC000824894354 1425181099 /nfs/dbraw/zinc/18/10/99/1425181099.db2.gz YSGMUZOQKNKVKV-JTQLQIEISA-N -1 1 398.810 3.165 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820031143 1425189527 /nfs/dbraw/zinc/18/95/27/1425189527.db2.gz AJIROIFEVXFIMP-GOSISDBHSA-N -1 1 395.394 3.024 20 30 GGEDMM COc1ccc(C=NNCc2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737082594 1425213746 /nfs/dbraw/zinc/21/37/46/1425213746.db2.gz XRZWURHFYLQKSH-UHFFFAOYSA-N -1 1 376.342 3.018 20 30 GGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821110298 1425243151 /nfs/dbraw/zinc/24/31/51/1425243151.db2.gz ZLJAIMKZWGMYJV-HNNXBMFYSA-N -1 1 389.463 3.421 20 30 GGEDMM C[C@H](C#N)CNC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735506279 1425262549 /nfs/dbraw/zinc/26/25/49/1425262549.db2.gz UWWMMEGJLWQDQY-CYBMUJFWSA-N -1 1 378.461 3.048 20 30 GGEDMM CCOC(=O)Nc1ccc(N=Cc2ccc(OCC)cc2O)cc1-c1nnn[n-]1 ZINC000825523095 1425299759 /nfs/dbraw/zinc/29/97/59/1425299759.db2.gz MOJVBERIMPEYGY-UHFFFAOYSA-N -1 1 396.407 3.290 20 30 GGEDMM N#CCC[C@@H](NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826381261 1425310154 /nfs/dbraw/zinc/31/01/54/1425310154.db2.gz DOXBNTLCROOWQO-GOSISDBHSA-N -1 1 392.488 3.261 20 30 GGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cn2cc(Cl)ccc2n1 ZINC000823503100 1425373169 /nfs/dbraw/zinc/37/31/69/1425373169.db2.gz BESMWZZOPZYATH-XYOKQWHBSA-N -1 1 376.807 3.380 20 30 GGEDMM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000820549431 1425374014 /nfs/dbraw/zinc/37/40/14/1425374014.db2.gz MLIXKSPPODPOCM-NSHDSACASA-N -1 1 390.900 3.343 20 30 GGEDMM CC[C@H](C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000171004874 1425433374 /nfs/dbraw/zinc/43/33/74/1425433374.db2.gz MYZZKDBLNNVZCX-GFCCVEGCSA-N -1 1 395.843 3.312 20 30 GGEDMM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2cnc(-c3ccccc3)s2)n1 ZINC000826350405 1425436379 /nfs/dbraw/zinc/43/63/79/1425436379.db2.gz UPSIOLRKUVIOGL-UHFFFAOYSA-N -1 1 382.840 3.485 20 30 GGEDMM Cc1ccc2c(c1)C(=O)C(=Cc1cn(C)nc1-c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000826294719 1425436533 /nfs/dbraw/zinc/43/65/33/1425436533.db2.gz ZTYIOBJVZJJBPG-GZTJUZNOSA-N -1 1 382.427 3.398 20 30 GGEDMM N#CCSCC(=O)N(Cc1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737697537 1425451229 /nfs/dbraw/zinc/45/12/29/1425451229.db2.gz JGWYKIMQHMQPGD-UHFFFAOYSA-N -1 1 398.879 3.310 20 30 GGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819899566 1425473300 /nfs/dbraw/zinc/47/33/00/1425473300.db2.gz XAMWROMEFJGIDC-KRWDZBQOSA-N -1 1 375.436 3.278 20 30 GGEDMM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(OC)c(-c4nnn[n-]4)c3)c2c1 ZINC000737115345 1425512434 /nfs/dbraw/zinc/51/24/34/1425512434.db2.gz OTTUJRDQPSEPQX-CLTKARDFSA-N -1 1 375.388 3.261 20 30 GGEDMM C=CCN(CC(=O)Nc1sc(C)c(C)c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740108 1425546808 /nfs/dbraw/zinc/54/68/08/1425546808.db2.gz PCTDJXAOSLRSDC-UHFFFAOYSA-N -1 1 396.520 3.480 20 30 GGEDMM COc1ccc(-c2nc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000821733079 1425565198 /nfs/dbraw/zinc/56/51/98/1425565198.db2.gz ZSEBTNUUGRQHBQ-UHFFFAOYSA-N -1 1 391.460 3.123 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735501948 1425571093 /nfs/dbraw/zinc/57/10/93/1425571093.db2.gz ASDISIGKHYCNMK-ZDUSSCGKSA-N -1 1 378.461 3.300 20 30 GGEDMM COCCOc1ccc(-c2nnn[n-]2)cc1NCC#Cc1ccccc1Cl ZINC000826162101 1425596654 /nfs/dbraw/zinc/59/66/54/1425596654.db2.gz NHTKBGPIWDJSCZ-UHFFFAOYSA-N -1 1 383.839 3.009 20 30 GGEDMM C[C@H](NC(=O)c1ccc(C#N)nc1)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824516577 1425601434 /nfs/dbraw/zinc/60/14/34/1425601434.db2.gz YEEWZMBYFIWNLA-AWEZNQCLSA-N -1 1 395.426 3.291 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(F)c1OCC ZINC000819745788 1425603375 /nfs/dbraw/zinc/60/33/75/1425603375.db2.gz RSWJSPWXGWGCEL-UHFFFAOYSA-N -1 1 381.411 3.233 20 30 GGEDMM N#Cc1cccc(-c2c[nH]c(CNc3c(F)cc(-c4nnn[n-]4)cc3F)n2)c1 ZINC000826386566 1425695251 /nfs/dbraw/zinc/69/52/51/1425695251.db2.gz JWDGXEKZLCXPEO-UHFFFAOYSA-N -1 1 378.346 3.019 20 30 GGEDMM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1c(Cl)cccc1Cl ZINC000822801415 1425704820 /nfs/dbraw/zinc/70/48/20/1425704820.db2.gz JBABXTWKXHPTDW-SNVBAGLBSA-N -1 1 379.232 3.230 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000823932455 1425712736 /nfs/dbraw/zinc/71/27/36/1425712736.db2.gz ZJGOEVNPKZHQJG-YWEYNIOJSA-N -1 1 380.379 3.475 20 30 GGEDMM Cc1cc(C(=O)O[C@H](C)c2cccc(C#N)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261061 1425726698 /nfs/dbraw/zinc/72/66/98/1425726698.db2.gz PGPYPWKPAOJGRW-CQSZACIVSA-N -1 1 399.414 3.151 20 30 GGEDMM CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821417826 1425745598 /nfs/dbraw/zinc/74/55/98/1425745598.db2.gz SZUYEPOCOUWTLG-LBPRGKRZSA-N -1 1 377.408 3.020 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCCC#N)c2)cc1F ZINC000171594944 1425752652 /nfs/dbraw/zinc/75/26/52/1425752652.db2.gz YCAXJHLTFLISTK-UHFFFAOYSA-N -1 1 389.452 3.359 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CSc1ccccc1OC ZINC000823909568 1425789684 /nfs/dbraw/zinc/78/96/84/1425789684.db2.gz JNJOOOFETYZXKJ-UHFFFAOYSA-N -1 1 395.488 3.182 20 30 GGEDMM Cc1ccc(C(=O)NC[C@@H](C)C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000171847118 1425834090 /nfs/dbraw/zinc/83/40/90/1425834090.db2.gz FKTKGNDFFBHDLB-LBPRGKRZSA-N -1 1 391.880 3.339 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2sccc2C#N)c1-c1nnn[n-]1 ZINC000826233976 1425851760 /nfs/dbraw/zinc/85/17/60/1425851760.db2.gz CDJQHGNVULMOIP-UHFFFAOYSA-N -1 1 389.444 3.460 20 30 GGEDMM N#C[C@@H](C(=O)CCc1cscn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000172019110 1425875795 /nfs/dbraw/zinc/87/57/95/1425875795.db2.gz GYAHTVYTSAMJOQ-LBPRGKRZSA-N -1 1 384.486 3.129 20 30 GGEDMM N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826387404 1425877330 /nfs/dbraw/zinc/87/73/30/1425877330.db2.gz SXYDZAVKTQKLNH-UHFFFAOYSA-N -1 1 386.440 3.397 20 30 GGEDMM N#CCc1ccccc1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826382690 1425892769 /nfs/dbraw/zinc/89/27/69/1425892769.db2.gz QKYSQOADJQKKPS-UHFFFAOYSA-N -1 1 378.461 3.054 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000172123964 1425905029 /nfs/dbraw/zinc/90/50/29/1425905029.db2.gz XWURMJKVPBSUCQ-KRWDZBQOSA-N -1 1 382.445 3.395 20 30 GGEDMM CCCCCCCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821056422 1425919881 /nfs/dbraw/zinc/91/98/81/1425919881.db2.gz RDXKKGYKVWBUHJ-UHFFFAOYSA-N -1 1 392.891 3.325 20 30 GGEDMM COc1cc(OC)c(OC)cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821724058 1425921777 /nfs/dbraw/zinc/92/17/77/1425921777.db2.gz OTHHXIBPRRYQIN-UKTHLTGXSA-N -1 1 392.415 3.105 20 30 GGEDMM Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000822540449 1425970131 /nfs/dbraw/zinc/97/01/31/1425970131.db2.gz BBYBYZVKJKJYHH-GFCCVEGCSA-N -1 1 388.387 3.349 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000824035298 1426025177 /nfs/dbraw/zinc/02/51/77/1426025177.db2.gz WLEIOXPBURUCRT-JTQLQIEISA-N -1 1 399.867 3.419 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000735420200 1426044597 /nfs/dbraw/zinc/04/45/97/1426044597.db2.gz NHCXPLQQIAXDFT-UHFFFAOYSA-N -1 1 399.458 3.096 20 30 GGEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1Cn1cccn1 ZINC000821769711 1426070119 /nfs/dbraw/zinc/07/01/19/1426070119.db2.gz JYOZNDGDOCWDNJ-GQCTYLIASA-N -1 1 392.444 3.078 20 30 GGEDMM CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819899819 1426078225 /nfs/dbraw/zinc/07/82/25/1426078225.db2.gz ZXNBIGNZINXVKS-GOSISDBHSA-N -1 1 390.447 3.114 20 30 GGEDMM C#CCOc1ccc(C(=O)N(CC)[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735380880 1426084764 /nfs/dbraw/zinc/08/47/64/1426084764.db2.gz NFOKXDGQNKISBL-HNNXBMFYSA-N -1 1 375.432 3.102 20 30 GGEDMM C[C@H](C#N)CNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824035529 1426095950 /nfs/dbraw/zinc/09/59/50/1426095950.db2.gz ZGXPHMLDFVNNEZ-LLVKDONJSA-N -1 1 382.811 3.202 20 30 GGEDMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1Cl ZINC000172590890 1426102460 /nfs/dbraw/zinc/10/24/60/1426102460.db2.gz OSAZPAKAADXHQU-UHFFFAOYSA-N -1 1 391.880 3.461 20 30 GGEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1)C(C)C ZINC000172592031 1426103826 /nfs/dbraw/zinc/10/38/26/1426103826.db2.gz WIMVMSJTEOMWAI-UHFFFAOYSA-N -1 1 385.489 3.424 20 30 GGEDMM C=CCc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc(OC)c1OC ZINC000735443638 1426116471 /nfs/dbraw/zinc/11/64/71/1426116471.db2.gz YTSQEQRSDMXUHL-UHFFFAOYSA-N -1 1 386.843 3.273 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826234450 1426128942 /nfs/dbraw/zinc/12/89/42/1426128942.db2.gz XGXYMZSZKRUNJL-UHFFFAOYSA-N -1 1 383.415 3.398 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)nnn1-c1cccc(Cl)c1 ZINC000822016363 1426130633 /nfs/dbraw/zinc/13/06/33/1426130633.db2.gz YOSPJSVHELMHMI-ALCCZGGFSA-N -1 1 397.851 3.367 20 30 GGEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnn(-c2ccc(F)cc2)n1 ZINC000172660887 1426132728 /nfs/dbraw/zinc/13/27/28/1426132728.db2.gz UVJCQTGDVPPLMY-HNNXBMFYSA-N -1 1 383.770 3.021 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000172675143 1426138167 /nfs/dbraw/zinc/13/81/67/1426138167.db2.gz LUSCRVSAQKXLLV-HOTGVXAUSA-N -1 1 385.489 3.281 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2cn3cccnc3n2)cc1 ZINC000172675181 1426138217 /nfs/dbraw/zinc/13/82/17/1426138217.db2.gz ISPWWWUQJYSWKW-UHFFFAOYSA-N -1 1 389.440 3.377 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000820315783 1426139128 /nfs/dbraw/zinc/13/91/28/1426139128.db2.gz PJFIWAZRRAMLOX-IFXJQAMLSA-N -1 1 390.447 3.019 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)cc1-c1nn[n-]n1 ZINC000737715590 1426163283 /nfs/dbraw/zinc/16/32/83/1426163283.db2.gz BSQLASSPIWQUFT-UHFFFAOYSA-N -1 1 391.778 3.299 20 30 GGEDMM C=C[C@@H](CC(=O)N(CCOC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883530 1426175350 /nfs/dbraw/zinc/17/53/50/1426175350.db2.gz SOZLTEYJJQAVQX-INIZCTEOSA-N -1 1 377.448 3.206 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735975573 1426220385 /nfs/dbraw/zinc/22/03/85/1426220385.db2.gz QCVLBXZCQJVLRL-CYBMUJFWSA-N -1 1 378.461 3.442 20 30 GGEDMM N#Cc1ccccc1COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737727671 1426224093 /nfs/dbraw/zinc/22/40/93/1426224093.db2.gz QIFZDBJLYFQYQO-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM C=CCOc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000735436816 1426230800 /nfs/dbraw/zinc/23/08/00/1426230800.db2.gz RENVBQKZHIRMAH-UHFFFAOYSA-N -1 1 394.435 3.152 20 30 GGEDMM CCc1nc2ccccc2c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1C ZINC000736706136 1426242686 /nfs/dbraw/zinc/24/26/86/1426242686.db2.gz QXBJNAKJHVMNPM-UHFFFAOYSA-N -1 1 383.415 3.410 20 30 GGEDMM C#CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000172923085 1426265432 /nfs/dbraw/zinc/26/54/32/1426265432.db2.gz GXGTXLNDDRTQQQ-UHFFFAOYSA-N -1 1 394.855 3.423 20 30 GGEDMM C#CCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC)cc2)cc1 ZINC000172926360 1426266174 /nfs/dbraw/zinc/26/61/74/1426266174.db2.gz RINWDCSYOCKDBQ-UHFFFAOYSA-N -1 1 386.473 3.029 20 30 GGEDMM CCCCCCC[C@H](C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821049250 1426273791 /nfs/dbraw/zinc/27/37/91/1426273791.db2.gz JOLPRJLSRGLNDQ-ZDUSSCGKSA-N -1 1 390.463 3.057 20 30 GGEDMM N#Cc1ccccc1C=CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822836974 1426316027 /nfs/dbraw/zinc/31/60/27/1426316027.db2.gz CMPBZNHDVNNSKT-BQYQJAHWSA-N -1 1 397.341 3.096 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1ccc(F)cc1C#N ZINC000737031541 1426316700 /nfs/dbraw/zinc/31/67/00/1426316700.db2.gz AAWDBBWELWQMPQ-UHFFFAOYSA-N -1 1 385.424 3.198 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccc(F)cc1F ZINC000735418435 1426351871 /nfs/dbraw/zinc/35/18/71/1426351871.db2.gz DZBMCBQZSNZADU-UHFFFAOYSA-N -1 1 398.417 3.085 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(OC)c(OC)cc1C ZINC000819745657 1426371799 /nfs/dbraw/zinc/37/17/99/1426371799.db2.gz OCAIWVVUUHRZSO-UHFFFAOYSA-N -1 1 393.447 3.021 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1 ZINC000826243398 1426419481 /nfs/dbraw/zinc/41/94/81/1426419481.db2.gz HJBCRCSQXLETQB-ZDUSSCGKSA-N -1 1 378.392 3.414 20 30 GGEDMM C#CCOc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735381372 1426433063 /nfs/dbraw/zinc/43/30/63/1426433063.db2.gz VBEMYALBIISJED-UHFFFAOYSA-N -1 1 390.447 3.321 20 30 GGEDMM C=C(C)[C@H](CC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)OCC ZINC000823874390 1426484077 /nfs/dbraw/zinc/48/40/77/1426484077.db2.gz WABJAAFBMFXNHX-KRWDZBQOSA-N -1 1 394.435 3.364 20 30 GGEDMM C=CCn1c(Sc2cccc(-c3nnn[n-]3)n2)nnc1-c1ccccc1C ZINC000823937174 1426515266 /nfs/dbraw/zinc/51/52/66/1426515266.db2.gz KZRWEEYSTUMSAC-UHFFFAOYSA-N -1 1 376.449 3.166 20 30 GGEDMM COc1cc(C)c(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(C)n1 ZINC000826177950 1426529317 /nfs/dbraw/zinc/52/93/17/1426529317.db2.gz CKIDXVYBXUDZCN-UHFFFAOYSA-N -1 1 391.357 3.352 20 30 GGEDMM N#Cc1ccccc1Oc1ccccc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826387212 1426538481 /nfs/dbraw/zinc/53/84/81/1426538481.db2.gz KSPIEZFLBBNGJK-UHFFFAOYSA-N -1 1 396.410 3.461 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822801718 1426547578 /nfs/dbraw/zinc/54/75/78/1426547578.db2.gz NEPUVORMMIOZGC-PMACEKPBSA-N -1 1 386.459 3.098 20 30 GGEDMM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000822218106 1426552065 /nfs/dbraw/zinc/55/20/65/1426552065.db2.gz XGNBARXVGYGGIW-PKOBYXMFSA-N -1 1 387.447 3.479 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000826340898 1426557098 /nfs/dbraw/zinc/55/70/98/1426557098.db2.gz OLAAVWBSVOAGGA-CQSZACIVSA-N -1 1 380.408 3.188 20 30 GGEDMM O=C(C=Cc1c[nH]nc1-c1c(F)cccc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400025 1426584423 /nfs/dbraw/zinc/58/44/23/1426584423.db2.gz NDWQOSWFFBNRKR-SNAWJCMRSA-N -1 1 384.371 3.493 20 30 GGEDMM COc1ccc(CSc2nc3c(cc2C#N)CCCC3)cc1-c1nnn[n-]1 ZINC000826208136 1426608357 /nfs/dbraw/zinc/60/83/57/1426608357.db2.gz VJZQIHHXJBWRQO-UHFFFAOYSA-N -1 1 378.461 3.313 20 30 GGEDMM Cc1c(Cl)cnc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C#N ZINC000826237154 1426628102 /nfs/dbraw/zinc/62/81/02/1426628102.db2.gz PZRFPXUAEDWIPP-UHFFFAOYSA-N -1 1 377.839 3.389 20 30 GGEDMM C=CC1CCN(C(=O)c2cccc(OCc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000735402491 1426653527 /nfs/dbraw/zinc/65/35/27/1426653527.db2.gz CEWKCUUGENAOII-UHFFFAOYSA-N -1 1 389.459 3.484 20 30 GGEDMM CCN(C(=O)Cc1cccc(OCC#N)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377179 1426731602 /nfs/dbraw/zinc/73/16/02/1426731602.db2.gz WGCKAOAGWWHEQD-UHFFFAOYSA-N -1 1 396.838 3.018 20 30 GGEDMM C#Cc1cccc(N(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735390121 1426783218 /nfs/dbraw/zinc/78/32/18/1426783218.db2.gz PAKDIEACFJRDFE-OAHLLOKOSA-N -1 1 375.432 3.057 20 30 GGEDMM CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958666 1426796315 /nfs/dbraw/zinc/79/63/15/1426796315.db2.gz UVKQVYMVQYWZJB-UHFFFAOYSA-N -1 1 375.751 3.404 20 30 GGEDMM CCCOc1ccc2[nH]cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)c2c1 ZINC000825342991 1426819923 /nfs/dbraw/zinc/81/99/23/1426819923.db2.gz ZZMOKQWSRAUZSS-UHFFFAOYSA-N -1 1 375.436 3.261 20 30 GGEDMM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737265573 1426838499 /nfs/dbraw/zinc/83/84/99/1426838499.db2.gz XAILXEOZVVCPNX-NSHDSACASA-N -1 1 382.811 3.106 20 30 GGEDMM C(=NNc1cccc(-c2nnn[n-]2)c1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000735397414 1426860731 /nfs/dbraw/zinc/86/07/31/1426860731.db2.gz BULUNBJYFZHJHV-UHFFFAOYSA-N -1 1 391.416 3.165 20 30 GGEDMM COc1ccc(COc2ccc(Br)cc2-c2nnn[n-]2)cc1C#N ZINC000826207135 1426877080 /nfs/dbraw/zinc/87/70/80/1426877080.db2.gz BLAXOPQURBPIGG-UHFFFAOYSA-N -1 1 386.209 3.088 20 30 GGEDMM C[C@@H]1CC[C@H](CCC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)O1 ZINC000173916427 1426891062 /nfs/dbraw/zinc/89/10/62/1426891062.db2.gz FPGKWOMOEDARSB-YRGRVCCFSA-N -1 1 385.489 3.387 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000823909607 1426929731 /nfs/dbraw/zinc/92/97/31/1426929731.db2.gz KXVDVBMOJNSYCT-LJQANCHMSA-N -1 1 388.475 3.005 20 30 GGEDMM COc1ccc(-c2ncc(C([O-])=C(C#N)C(=O)Nc3ccccn3)s2)cc1 ZINC000174011283 1426942633 /nfs/dbraw/zinc/94/26/33/1426942633.db2.gz IUCGAAJKSFLMRP-CQSZACIVSA-N -1 1 378.413 3.175 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1-c1nnn[n-]1 ZINC000737719677 1426973075 /nfs/dbraw/zinc/97/30/75/1426973075.db2.gz UWQRKCZGIXWKCL-UHFFFAOYSA-N -1 1 396.414 3.054 20 30 GGEDMM Cc1ccc2ncc(C=NNc3ccc(-c4nnn[n-]4)c(C(F)(F)F)c3)n2c1 ZINC000826295552 1426996214 /nfs/dbraw/zinc/99/62/14/1426996214.db2.gz MKDXXCKCZWQSGQ-UHFFFAOYSA-N -1 1 386.341 3.288 20 30 GGEDMM Cn1cc(C=C2Cc3ccc(F)cc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359663 1427007119 /nfs/dbraw/zinc/00/71/19/1427007119.db2.gz NIEAHBBLTNPKJA-DHDCSXOGSA-N -1 1 386.390 3.229 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(C)c1cccc(F)c1 ZINC000735418405 1427029050 /nfs/dbraw/zinc/02/90/50/1427029050.db2.gz CYVARLWUZLFFFI-UHFFFAOYSA-N -1 1 379.439 3.498 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822800911 1427045304 /nfs/dbraw/zinc/04/53/04/1427045304.db2.gz AUMNOTWTLXUQHI-LEWJYISDSA-N -1 1 388.475 3.407 20 30 GGEDMM N#Cc1cc(-c2nnn[n-]2)c(SCCCSCc2ccccc2)nc1N ZINC000826383695 1427047418 /nfs/dbraw/zinc/04/74/18/1427047418.db2.gz LZQQMNOZPOJHGK-UHFFFAOYSA-N -1 1 383.506 3.131 20 30 GGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000174256213 1427072299 /nfs/dbraw/zinc/07/22/99/1427072299.db2.gz CUBFPJUVLSIWNF-UHFFFAOYSA-N -1 1 398.488 3.308 20 30 GGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000174256551 1427072634 /nfs/dbraw/zinc/07/26/34/1427072634.db2.gz RRYQQSDDBUSCPK-UHFFFAOYSA-N -1 1 390.440 3.278 20 30 GGEDMM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C#N ZINC000737082220 1427096798 /nfs/dbraw/zinc/09/67/98/1427096798.db2.gz FTWWGQZXCFFYEE-UHFFFAOYSA-N -1 1 387.325 3.212 20 30 GGEDMM CCNc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)cc1OC(F)F ZINC000825480763 1427102567 /nfs/dbraw/zinc/10/25/67/1427102567.db2.gz JLXUVAWKLWBZRE-UHFFFAOYSA-N -1 1 385.378 3.384 20 30 GGEDMM C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736155108 1427106285 /nfs/dbraw/zinc/10/62/85/1427106285.db2.gz HIJUBOXETUHFPD-CYBMUJFWSA-N -1 1 379.445 3.276 20 30 GGEDMM N#CC1(OC(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000822801155 1427130771 /nfs/dbraw/zinc/13/07/71/1427130771.db2.gz FGVAUXHDSZACNE-UHFFFAOYSA-N -1 1 375.388 3.049 20 30 GGEDMM O=C(C=Cc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826400451 1427142751 /nfs/dbraw/zinc/14/27/51/1427142751.db2.gz ZHXQVTBTNAPCDE-IWQZZHSRSA-N -1 1 393.331 3.334 20 30 GGEDMM CC[C@H](C#N)Oc1cc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)ccc1OC ZINC000736308730 1427160570 /nfs/dbraw/zinc/16/05/70/1427160570.db2.gz HISHBAGKPNDYKT-OAHLLOKOSA-N -1 1 393.451 3.180 20 30 GGEDMM Fc1ccc(NN=Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)nc1 ZINC000737656041 1427163991 /nfs/dbraw/zinc/16/39/91/1427163991.db2.gz GTNPSNKOVJXXQP-UHFFFAOYSA-N -1 1 389.394 3.426 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822801865 1427166901 /nfs/dbraw/zinc/16/69/01/1427166901.db2.gz PTAZDYDIUXRBNJ-NZAJQASQSA-N -1 1 384.443 3.178 20 30 GGEDMM N#Cc1cc(NCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1Cl ZINC000822823644 1427212643 /nfs/dbraw/zinc/21/26/43/1427212643.db2.gz VYZGVOKVLNJSTO-UHFFFAOYSA-N -1 1 378.783 3.054 20 30 GGEDMM COCCOc1ccccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000821693549 1427291293 /nfs/dbraw/zinc/29/12/93/1427291293.db2.gz DFAWYJQFIXWNAK-DTQAZKPQSA-N -1 1 376.416 3.104 20 30 GGEDMM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)CO2 ZINC000736492770 1427345797 /nfs/dbraw/zinc/34/57/97/1427345797.db2.gz PPMNMCPCCPTYSL-NTEUORMPSA-N -1 1 392.415 3.323 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000819743101 1427370778 /nfs/dbraw/zinc/37/07/78/1427370778.db2.gz CNJMOLQFYMTEHG-RBUKOAKNSA-N -1 1 398.511 3.016 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000826244243 1427414959 /nfs/dbraw/zinc/41/49/59/1427414959.db2.gz LHCUTAVAUCMACW-UHFFFAOYSA-N -1 1 384.399 3.487 20 30 GGEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)s3)cn2)c1 ZINC000822837124 1427416634 /nfs/dbraw/zinc/41/66/34/1427416634.db2.gz FWXOQOBBRCPEFB-UHFFFAOYSA-N -1 1 389.400 3.239 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000826245953 1427419120 /nfs/dbraw/zinc/41/91/20/1427419120.db2.gz NJEZNDYCLAXXAI-OAHLLOKOSA-N -1 1 387.230 3.477 20 30 GGEDMM C=CCc1ccc(OCC(=O)O[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000819758998 1427447930 /nfs/dbraw/zinc/44/79/30/1427447930.db2.gz KJQVXJBWMIHJCH-AWEZNQCLSA-N -1 1 394.431 3.287 20 30 GGEDMM COc1cc2c(c(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)c1)O[C@H](C)C2 ZINC000821713441 1427452467 /nfs/dbraw/zinc/45/24/67/1427452467.db2.gz XNLYUMWCHDHDJX-ZMTLZGASSA-N -1 1 388.427 3.411 20 30 GGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1c(Cl)nc2ccccn21 ZINC000823498483 1427498407 /nfs/dbraw/zinc/49/84/07/1427498407.db2.gz RKACLBNYDFEECI-ZRDIBKRKSA-N -1 1 376.807 3.380 20 30 GGEDMM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737317947 1427500020 /nfs/dbraw/zinc/50/00/20/1427500020.db2.gz QTFCXUORSKTEGX-UHFFFAOYSA-N -1 1 376.420 3.188 20 30 GGEDMM C=CCOCC(=O)N(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1C ZINC000735437653 1427529300 /nfs/dbraw/zinc/52/93/00/1427529300.db2.gz NMKMOHYOSQOMKQ-UHFFFAOYSA-N -1 1 381.411 3.050 20 30 GGEDMM CCn1c2ccccc2nc1C(C)N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC000736721031 1427589066 /nfs/dbraw/zinc/58/90/66/1427589066.db2.gz ZZQOETBPFCWISH-UHFFFAOYSA-N -1 1 393.455 3.259 20 30 GGEDMM N#Cc1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000822829854 1427599505 /nfs/dbraw/zinc/59/95/05/1427599505.db2.gz MBIWIDSUPAFWGM-UHFFFAOYSA-N -1 1 387.325 3.079 20 30 GGEDMM N#Cc1ccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737719517 1427604640 /nfs/dbraw/zinc/60/46/40/1427604640.db2.gz RAAIPQPBTPQWHV-UHFFFAOYSA-N -1 1 386.371 3.163 20 30 GGEDMM COc1cc(OC)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000821723948 1427617598 /nfs/dbraw/zinc/61/75/98/1427617598.db2.gz NJGWSAAOJTZOQO-HYXAFXHYSA-N -1 1 376.825 3.495 20 30 GGEDMM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl)C1(C#N)CCCCC1 ZINC000821570848 1427627209 /nfs/dbraw/zinc/62/72/09/1427627209.db2.gz NZLNPSXYTVLLON-UHFFFAOYSA-N -1 1 390.900 3.297 20 30 GGEDMM N#Cc1ccc(F)c(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737718885 1427645386 /nfs/dbraw/zinc/64/53/86/1427645386.db2.gz PTZXLIXSDOFPOX-UHFFFAOYSA-N -1 1 395.394 3.170 20 30 GGEDMM CC(C)(C)n1cc(C#N)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735661516 1427733164 /nfs/dbraw/zinc/73/31/64/1427733164.db2.gz MRFCTITZUDIHEQ-UHFFFAOYSA-N -1 1 381.465 3.026 20 30 GGEDMM N#Cc1cccc(-c2c[nH]c(CNc3cc(-c4nnn[n-]4)nc4ccccc43)n2)c1 ZINC000826386485 1427741458 /nfs/dbraw/zinc/74/14/58/1427741458.db2.gz HCVWOKDJOMKKJP-UHFFFAOYSA-N -1 1 393.414 3.289 20 30 GGEDMM CCOc1ccc(C=NOCc2cn3ccccc3c2-c2nnn[n-]2)cc1OC ZINC000821417778 1427748304 /nfs/dbraw/zinc/74/83/04/1427748304.db2.gz RNVZESJXBHUKGB-UHFFFAOYSA-N -1 1 392.419 3.077 20 30 GGEDMM CC(C)c1ccccc1OCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824353034 1427755257 /nfs/dbraw/zinc/75/52/57/1427755257.db2.gz VBXFVXDAUDJJQG-UHFFFAOYSA-N -1 1 376.420 3.269 20 30 GGEDMM O=C(C=Cc1ccc(O)c(Br)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401354 1427758495 /nfs/dbraw/zinc/75/84/95/1427758495.db2.gz WJTPASXNUZFIRB-KTAJNNJTSA-N -1 1 389.184 3.370 20 30 GGEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(OCC#N)c1 ZINC000735874203 1427811929 /nfs/dbraw/zinc/81/19/29/1427811929.db2.gz OJLJSPKJVFNXDO-UHFFFAOYSA-N -1 1 391.435 3.212 20 30 GGEDMM C#CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC)c1ccccc1 ZINC000823838611 1427821726 /nfs/dbraw/zinc/82/17/26/1427821726.db2.gz RXMFVEHCQBRNCN-MRXNPFEDSA-N -1 1 376.420 3.152 20 30 GGEDMM N#Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822825404 1427826004 /nfs/dbraw/zinc/82/60/04/1427826004.db2.gz DLDZPDMJCITCSM-UHFFFAOYSA-N -1 1 386.337 3.328 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000735418932 1427841317 /nfs/dbraw/zinc/84/13/17/1427841317.db2.gz LTTGEKZYMAXULT-WMZOPIPTSA-N -1 1 395.413 3.463 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)-c2ccccc2CC3)cn1 ZINC000737713308 1427870901 /nfs/dbraw/zinc/87/09/01/1427870901.db2.gz WSINSKZBYODCRT-UHFFFAOYSA-N -1 1 399.439 3.213 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823953794 1427871606 /nfs/dbraw/zinc/87/16/06/1427871606.db2.gz QLFCEAPSIDOBQG-CYBMUJFWSA-N -1 1 379.424 3.119 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc(OC(F)(F)F)c2)o1 ZINC000735938932 1427904381 /nfs/dbraw/zinc/90/43/81/1427904381.db2.gz IQZQKMPSJHNIGG-UHFFFAOYSA-N -1 1 381.318 3.323 20 30 GGEDMM C=CCc1ccc(OCC(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000819758999 1427910805 /nfs/dbraw/zinc/91/08/05/1427910805.db2.gz KJQVXJBWMIHJCH-CQSZACIVSA-N -1 1 394.431 3.287 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000736308432 1427914372 /nfs/dbraw/zinc/91/43/72/1427914372.db2.gz DJSBVWJXDDGYSP-INIZCTEOSA-N -1 1 391.435 3.178 20 30 GGEDMM C=CCN(CC(=O)Nc1c(C)cccc1Cl)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903822 1427948198 /nfs/dbraw/zinc/94/81/98/1427948198.db2.gz LGMJPNZEQDNRKU-UHFFFAOYSA-N -1 1 396.882 3.455 20 30 GGEDMM COc1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)ccc1SC ZINC000737034950 1427953383 /nfs/dbraw/zinc/95/33/83/1427953383.db2.gz NOLAYHMBEGZEHE-AATRIKPKSA-N -1 1 392.444 3.141 20 30 GGEDMM Cc1c(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)sc2nc(C)nc(C)c12 ZINC000826324305 1428004014 /nfs/dbraw/zinc/00/40/14/1428004014.db2.gz LVWZZMJHBWJYHU-UHFFFAOYSA-N -1 1 399.871 3.291 20 30 GGEDMM CC(C)[C@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000176047859 1428048568 /nfs/dbraw/zinc/04/85/68/1428048568.db2.gz ZXVWJPPJILDLEH-KRWDZBQOSA-N -1 1 394.399 3.471 20 30 GGEDMM N#C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)C1CC1 ZINC000176084739 1428073619 /nfs/dbraw/zinc/07/36/19/1428073619.db2.gz CYMJPSBVMGWXBV-QGZVFWFLSA-N -1 1 392.383 3.225 20 30 GGEDMM CC(C)c1csc([C@H](C#N)C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820197901 1428083859 /nfs/dbraw/zinc/08/38/59/1428083859.db2.gz OQGGWIAAYWULIQ-CQSZACIVSA-N -1 1 396.476 3.480 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824713661 1428086381 /nfs/dbraw/zinc/08/63/81/1428086381.db2.gz JNSOAVFCFWJLJJ-IFXJQAMLSA-N -1 1 391.431 3.446 20 30 GGEDMM C#CC[C@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)C ZINC000819692351 1428131108 /nfs/dbraw/zinc/13/11/08/1428131108.db2.gz DLAJSDQGDCZJKS-KRWDZBQOSA-N -1 1 377.404 3.259 20 30 GGEDMM N#C[C@@H](C(=O)[C@@H]1CCCCS1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379669 1428141327 /nfs/dbraw/zinc/14/13/27/1428141327.db2.gz YMCRPBQMSLOKLI-ZFWWWQNUSA-N -1 1 396.501 3.452 20 30 GGEDMM CN(C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C1(C#N)CCC1 ZINC000736742054 1428143815 /nfs/dbraw/zinc/14/38/15/1428143815.db2.gz KSNAVDPSPQNDDD-UHFFFAOYSA-N -1 1 392.394 3.316 20 30 GGEDMM C=CCCOCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823899549 1428147468 /nfs/dbraw/zinc/14/74/68/1428147468.db2.gz YAQDVJLWHFAZSK-OAHLLOKOSA-N -1 1 377.448 3.304 20 30 GGEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000180175949 1429782605 /nfs/dbraw/zinc/78/26/05/1429782605.db2.gz XKYGCSKPCMNUIB-UHFFFAOYSA-N -1 1 391.880 3.494 20 30 GGEDMM CCCNc1ccc(C#N)cc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736487949 1429784131 /nfs/dbraw/zinc/78/41/31/1429784131.db2.gz LDZZZHTVNCLSQG-UHFFFAOYSA-N -1 1 375.436 3.132 20 30 GGEDMM CC(C)(C#N)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000180184446 1429789611 /nfs/dbraw/zinc/78/96/11/1429789611.db2.gz UCZPSPRJWJYVTF-UHFFFAOYSA-N -1 1 376.409 3.333 20 30 GGEDMM C[C@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824491666 1429816541 /nfs/dbraw/zinc/81/65/41/1429816541.db2.gz WHWJQLLCUBAEEK-HNNXBMFYSA-N -1 1 399.458 3.298 20 30 GGEDMM Cc1nc2sc3c(c2c(NN=Cc2ccc(-c4nnn[n-]4)o2)n1)CCCC3 ZINC000822452828 1429833996 /nfs/dbraw/zinc/83/39/96/1429833996.db2.gz AURCTYHRNJARGT-UHFFFAOYSA-N -1 1 380.437 3.098 20 30 GGEDMM Cc1nc2sc3c(c2c(N=NCc2ccc(-c4nn[n-]n4)o2)n1)CCCC3 ZINC000822452828 1429834002 /nfs/dbraw/zinc/83/40/02/1429834002.db2.gz AURCTYHRNJARGT-UHFFFAOYSA-N -1 1 380.437 3.098 20 30 GGEDMM Cc1nc2sc3c(c2c(N=NCc2ccc(-c4nnn[n-]4)o2)n1)CCCC3 ZINC000822452828 1429834007 /nfs/dbraw/zinc/83/40/07/1429834007.db2.gz AURCTYHRNJARGT-UHFFFAOYSA-N -1 1 380.437 3.098 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1sccc1Br ZINC000819773177 1429843489 /nfs/dbraw/zinc/84/34/89/1429843489.db2.gz QVITYVOYRYKUSP-UHFFFAOYSA-N -1 1 377.271 3.205 20 30 GGEDMM CC(C)Oc1ccc(NC(=S)Nc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000820174820 1429908034 /nfs/dbraw/zinc/90/80/34/1429908034.db2.gz YOROPOLRVQPWEH-UHFFFAOYSA-N -1 1 379.449 3.334 20 30 GGEDMM Cc1nn(-c2ccccc2)c(CN(CCC#N)CCC(C)C)c1-c1nnn[n-]1 ZINC000826332571 1429928672 /nfs/dbraw/zinc/92/86/72/1429928672.db2.gz XYVNJJOSENYERC-UHFFFAOYSA-N -1 1 378.484 3.123 20 30 GGEDMM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)c1ccc(C#N)c(Cl)c1 ZINC000825376355 1429933359 /nfs/dbraw/zinc/93/33/59/1429933359.db2.gz FNKJPRCBBPSZCW-UHFFFAOYSA-N -1 1 388.765 3.337 20 30 GGEDMM Cn1ccnc1COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826364454 1429935610 /nfs/dbraw/zinc/93/56/10/1429935610.db2.gz WZLICZMUEMKPHC-DHZHZOJOSA-N -1 1 386.415 3.075 20 30 GGEDMM CN(C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1)C1(C#N)CCCCC1 ZINC000821570994 1429944278 /nfs/dbraw/zinc/94/42/78/1429944278.db2.gz VEQZOHGLZISLHP-UHFFFAOYSA-N -1 1 390.900 3.297 20 30 GGEDMM C[C@H](CCSc1ccccc1)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000820248316 1429948359 /nfs/dbraw/zinc/94/83/59/1429948359.db2.gz FKLLIZWLITWVPC-LLVKDONJSA-N -1 1 383.506 3.379 20 30 GGEDMM CCC[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821009712 1429956158 /nfs/dbraw/zinc/95/61/58/1429956158.db2.gz ZHSSEUAAUUPYFF-CQSZACIVSA-N -1 1 378.461 3.440 20 30 GGEDMM CC(=NNc1ccccc1F)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735451188 1429973455 /nfs/dbraw/zinc/97/34/55/1429973455.db2.gz SBRUHHLKGNTFQP-UHFFFAOYSA-N -1 1 376.399 3.336 20 30 GGEDMM N#Cc1ccc(CNC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737718996 1429988456 /nfs/dbraw/zinc/98/84/56/1429988456.db2.gz RBWXRGRSLHNVJB-UHFFFAOYSA-N -1 1 396.410 3.461 20 30 GGEDMM COc1ccc(CCC(C)=NOCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191810 1429996296 /nfs/dbraw/zinc/99/62/96/1429996296.db2.gz QPLSNODDYQNTJL-UHFFFAOYSA-N -1 1 381.436 3.279 20 30 GGEDMM CCOc1ccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825643339 1430024787 /nfs/dbraw/zinc/02/47/87/1430024787.db2.gz MWSRKMWWFSARML-UHFFFAOYSA-N -1 1 387.494 3.038 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1ccc(C#N)cc1 ZINC000826234138 1430072885 /nfs/dbraw/zinc/07/28/85/1430072885.db2.gz JMIBXLYJZVEJOR-FLIBITNWSA-N -1 1 381.399 3.129 20 30 GGEDMM C#Cc1cccc(N(Cc2ccco2)C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735391132 1430080223 /nfs/dbraw/zinc/08/02/23/1430080223.db2.gz MUMYNTKKYRDAER-UHFFFAOYSA-N -1 1 383.411 3.217 20 30 GGEDMM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cc(Br)c(F)cc1O ZINC000823958827 1430092717 /nfs/dbraw/zinc/09/27/17/1430092717.db2.gz YFIUBRFRKUSZGN-UHFFFAOYSA-N -1 1 391.204 3.310 20 30 GGEDMM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(Br)c(F)cc1O ZINC000823958827 1430092725 /nfs/dbraw/zinc/09/27/25/1430092725.db2.gz YFIUBRFRKUSZGN-UHFFFAOYSA-N -1 1 391.204 3.310 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203451 1430101872 /nfs/dbraw/zinc/10/18/72/1430101872.db2.gz UHGDRNIDPMLJIN-FNORWQNLSA-N -1 1 398.810 3.381 20 30 GGEDMM FC(F)(F)Oc1ccc(C#CCSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC000822718611 1430128687 /nfs/dbraw/zinc/12/86/87/1430128687.db2.gz MRIXMIALUWVDEN-UHFFFAOYSA-N -1 1 377.351 3.304 20 30 GGEDMM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3F)c1)O[C@@H](C)C2 ZINC000826178876 1430140574 /nfs/dbraw/zinc/14/05/74/1430140574.db2.gz PKSQSINZGWLJEC-MALLOTDXSA-N -1 1 380.379 3.234 20 30 GGEDMM N#CCc1ccc(OCc2cccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)cc1 ZINC000826382717 1430146495 /nfs/dbraw/zinc/14/64/95/1430146495.db2.gz RPWDAHBZMWVTTE-UHFFFAOYSA-N -1 1 399.414 3.092 20 30 GGEDMM C#CCCCSc1nc2ccccc2c(=O)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000823840740 1430219714 /nfs/dbraw/zinc/21/97/14/1430219714.db2.gz CXKUJKZDYRDXAX-UHFFFAOYSA-N -1 1 388.456 3.071 20 30 GGEDMM C=CCCCN(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000735412765 1430233232 /nfs/dbraw/zinc/23/32/32/1430233232.db2.gz KNKFOVAHEQSFCW-CYBMUJFWSA-N -1 1 388.541 3.422 20 30 GGEDMM C=CCCCN(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735412765 1430233236 /nfs/dbraw/zinc/23/32/36/1430233236.db2.gz KNKFOVAHEQSFCW-CYBMUJFWSA-N -1 1 388.541 3.422 20 30 GGEDMM Cc1c(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)cnn1C(C)C ZINC000181244890 1430255376 /nfs/dbraw/zinc/25/53/76/1430255376.db2.gz VMMIJYYXSJLMLE-CYBMUJFWSA-N -1 1 395.488 3.439 20 30 GGEDMM CSc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccn1 ZINC000181396263 1430288580 /nfs/dbraw/zinc/28/85/80/1430288580.db2.gz CEENCHOTNKWHQX-GFCCVEGCSA-N -1 1 396.497 3.470 20 30 GGEDMM CC[C@@H](CC#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000183923893 1430813858 /nfs/dbraw/zinc/81/38/58/1430813858.db2.gz LVTKCTVGIWHAGC-ZDUSSCGKSA-N -1 1 393.415 3.188 20 30 GGEDMM COC(=O)[C@@H](C)Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000184038149 1430832776 /nfs/dbraw/zinc/83/27/76/1430832776.db2.gz CENGPPIBOPUMCT-LBPRGKRZSA-N -1 1 392.864 3.364 20 30 GGEDMM C=C(C)[C@H](NC(=O)CCc1c(C)nc(SC)[n-]c1=O)c1ccc(F)c(F)c1 ZINC000184850643 1431002864 /nfs/dbraw/zinc/00/28/64/1431002864.db2.gz NFJWOMUMLGMZOA-KRWDZBQOSA-N -1 1 393.459 3.445 20 30 GGEDMM Cc1c(=O)[n-]c(SCC(=O)N(CC#N)c2ccccc2)nc1-c1ccccc1 ZINC000185051096 1431049462 /nfs/dbraw/zinc/04/94/62/1431049462.db2.gz CTXPPVOKVKPDFO-UHFFFAOYSA-N -1 1 390.468 3.394 20 30 GGEDMM C#Cc1cccc(N(C)C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])c1 ZINC000185847197 1431251070 /nfs/dbraw/zinc/25/10/70/1431251070.db2.gz AGOMQCOBKRXKRP-UHFFFAOYSA-N -1 1 375.384 3.199 20 30 GGEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3ncoc3-c3ccc(F)cc3)n2)cc1 ZINC000186261127 1431365307 /nfs/dbraw/zinc/36/53/07/1431365307.db2.gz YKINIKNFLXGGNI-UHFFFAOYSA-N -1 1 388.362 3.244 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000187074875 1431606720 /nfs/dbraw/zinc/60/67/20/1431606720.db2.gz MNQPPDIZEDARQJ-UHFFFAOYSA-N -1 1 395.484 3.357 20 30 GGEDMM CSc1nc(C)c(CCC(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c(=O)[n-]1 ZINC000187297359 1431686263 /nfs/dbraw/zinc/68/62/63/1431686263.db2.gz DIOOEPCEYNCWSR-UHFFFAOYSA-N -1 1 390.553 3.348 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1[O-] ZINC000187700880 1431801670 /nfs/dbraw/zinc/80/16/70/1431801670.db2.gz PNFFYIWNXJSDHH-UHFFFAOYSA-N -1 1 398.850 3.297 20 30 GGEDMM Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000187983504 1431833334 /nfs/dbraw/zinc/83/33/34/1431833334.db2.gz RGVPMWKYPVZXDA-MRXNPFEDSA-N -1 1 392.459 3.246 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1[O-] ZINC000187986080 1431833628 /nfs/dbraw/zinc/83/36/28/1431833628.db2.gz OITOEPYFZPQDHX-CQSZACIVSA-N -1 1 396.422 3.077 20 30 GGEDMM CCc1cc(=O)[n-]c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)n1 ZINC000188116907 1431848929 /nfs/dbraw/zinc/84/89/29/1431848929.db2.gz UNNVOAJLWXKWOR-UHFFFAOYSA-N -1 1 390.896 3.333 20 30 GGEDMM CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000188298403 1431870653 /nfs/dbraw/zinc/87/06/53/1431870653.db2.gz ADOPHUMWTOJKPS-IBGZPJMESA-N -1 1 378.428 3.043 20 30 GGEDMM COC(=O)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000189180218 1432059257 /nfs/dbraw/zinc/05/92/57/1432059257.db2.gz KUWVVJAAWUSRDX-OAHLLOKOSA-N -1 1 392.333 3.317 20 30 GGEDMM C#CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000191082907 1432563762 /nfs/dbraw/zinc/56/37/62/1432563762.db2.gz JQMAKBKDFSIMET-UHFFFAOYSA-N -1 1 396.390 3.211 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)c([N+](=O)[O-])c1 ZINC000191226547 1432597055 /nfs/dbraw/zinc/59/70/55/1432597055.db2.gz USSFWABBGONCSD-UHFFFAOYSA-N -1 1 391.792 3.050 20 30 GGEDMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 ZINC000192128199 1432802715 /nfs/dbraw/zinc/80/27/15/1432802715.db2.gz IJOUFBPPTYOYEX-AWEZNQCLSA-N -1 1 392.502 3.297 20 30 GGEDMM Cc1nc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1C#N ZINC000193354390 1432984828 /nfs/dbraw/zinc/98/48/28/1432984828.db2.gz AZAHMJGUVUOFNV-UHFFFAOYSA-N -1 1 392.440 3.315 20 30 GGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000193356811 1432985079 /nfs/dbraw/zinc/98/50/79/1432985079.db2.gz ZMHIYEXNJUUHKU-CQSZACIVSA-N -1 1 390.436 3.108 20 30 GGEDMM C=CCSCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000194502910 1433188540 /nfs/dbraw/zinc/18/85/40/1433188540.db2.gz DHKQSVWDUAJCFS-UHFFFAOYSA-N -1 1 390.530 3.445 20 30 GGEDMM C=CCSCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000194505232 1433189082 /nfs/dbraw/zinc/18/90/82/1433189082.db2.gz AVZLHZDMHBYXSR-UHFFFAOYSA-N -1 1 390.530 3.445 20 30 GGEDMM C=CCSCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000194509203 1433190150 /nfs/dbraw/zinc/19/01/50/1433190150.db2.gz XJFWSXQAIPXNQV-UHFFFAOYSA-N -1 1 394.493 3.276 20 30 GGEDMM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(Br)cs1 ZINC000194589206 1433202428 /nfs/dbraw/zinc/20/24/28/1433202428.db2.gz HDFQFRGMTBPTAL-SNVBAGLBSA-N -1 1 379.235 3.480 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C)CC#N)c2)c1 ZINC000194669722 1433213559 /nfs/dbraw/zinc/21/35/59/1433213559.db2.gz GBMZNGPVOLKROD-ZDUSSCGKSA-N -1 1 391.880 3.481 20 30 GGEDMM Cc1cc(C(=O)NC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000194725674 1433220630 /nfs/dbraw/zinc/22/06/30/1433220630.db2.gz GICACHARTGBZLV-UHFFFAOYSA-N -1 1 391.880 3.459 20 30 GGEDMM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCC#N)cc1 ZINC000195454531 1433331760 /nfs/dbraw/zinc/33/17/60/1433331760.db2.gz JHGALRXUKGZSAO-UHFFFAOYSA-N -1 1 385.489 3.347 20 30 GGEDMM CCNC(=O)COc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1OC ZINC000206821632 1433353904 /nfs/dbraw/zinc/35/39/04/1433353904.db2.gz RKXWMMOSJRWMPL-YBEGLDIGSA-N -1 1 381.428 3.128 20 30 GGEDMM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)[C@@H](C#N)c1ccccn1 ZINC000248768172 1433821379 /nfs/dbraw/zinc/82/13/79/1433821379.db2.gz OTBVURDMBYGXNQ-APWZRJJASA-N -1 1 397.500 3.443 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(=O)o1 ZINC000255503668 1433883804 /nfs/dbraw/zinc/88/38/04/1433883804.db2.gz QCFYZEWRRJRIAN-VFCOFNOGSA-N -1 1 399.406 3.163 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(=O)o1 ZINC000255503669 1433883839 /nfs/dbraw/zinc/88/38/39/1433883839.db2.gz QCFYZEWRRJRIAN-YUQDSPFASA-N -1 1 399.406 3.163 20 30 GGEDMM Cc1cc([O-])c(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccncc2)c(=O)o1 ZINC000255684286 1433887942 /nfs/dbraw/zinc/88/79/42/1433887942.db2.gz HYBOIXDDKKYXEI-GIWCCYDRSA-N -1 1 399.406 3.163 20 30 GGEDMM C=CCCO[C@@H](C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000263756286 1434029797 /nfs/dbraw/zinc/02/97/97/1434029797.db2.gz FYHZXHYXYGYBKW-INIZCTEOSA-N -1 1 388.489 3.085 20 30 GGEDMM N#CCCN(CC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000264112334 1434072740 /nfs/dbraw/zinc/07/27/40/1434072740.db2.gz VTSRXLCZIGYOQS-UHFFFAOYSA-N -1 1 383.473 3.253 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc(S(=O)(=O)N(C)C)o1 ZINC000264503387 1434121032 /nfs/dbraw/zinc/12/10/32/1434121032.db2.gz NQUUZDFBNMSORU-GFCCVEGCSA-N -1 1 393.490 3.176 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N[C@H](C#N)C(C)C ZINC000264635228 1434137898 /nfs/dbraw/zinc/13/78/98/1434137898.db2.gz OUTXRABYCIEFKZ-GOSISDBHSA-N -1 1 389.452 3.213 20 30 GGEDMM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccc(C)o1 ZINC000267084121 1434406439 /nfs/dbraw/zinc/40/64/39/1434406439.db2.gz SSVZXNSZRUSRJA-CYBMUJFWSA-N -1 1 388.367 3.145 20 30 GGEDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CC#N)cc2)cc1 ZINC000276439698 1435211663 /nfs/dbraw/zinc/21/16/63/1435211663.db2.gz IZXIDDJWVBQKAM-UHFFFAOYSA-N -1 1 392.502 3.082 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2C)ccc1C#N ZINC000277491576 1435308027 /nfs/dbraw/zinc/30/80/27/1435308027.db2.gz CIQDIGAHMMADKL-UHFFFAOYSA-N -1 1 383.473 3.212 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3=O)c2)ccc1C#N ZINC000277586966 1435314491 /nfs/dbraw/zinc/31/44/91/1435314491.db2.gz LEWNZKONUJLKHC-UHFFFAOYSA-N -1 1 383.473 3.180 20 30 GGEDMM CCCCCCCCOCc1cccc(NC(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000277621275 1435317039 /nfs/dbraw/zinc/31/70/39/1435317039.db2.gz CCIUTKICYNAIRI-UHFFFAOYSA-N -1 1 376.457 3.152 20 30 GGEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1)C1CC1 ZINC000277625798 1435317419 /nfs/dbraw/zinc/31/74/19/1435317419.db2.gz OONRTFZCBYYKKQ-UHFFFAOYSA-N -1 1 383.473 3.178 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)N3CCCC3)cc2)ccc1C#N ZINC000277677803 1435321416 /nfs/dbraw/zinc/32/14/16/1435321416.db2.gz UBKMDAUOJYZIJW-UHFFFAOYSA-N -1 1 397.500 3.223 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@@H]4CCCO4)nc3c2)ccc1C#N ZINC000277710661 1435323679 /nfs/dbraw/zinc/32/36/79/1435323679.db2.gz WNHVUGVQNYSCLC-SFHVURJKSA-N -1 1 382.445 3.395 20 30 GGEDMM C=CCC[C@H](C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1)c1ccccc1 ZINC000277794009 1435330984 /nfs/dbraw/zinc/33/09/84/1435330984.db2.gz SUWIGHZUQVCNED-SFHVURJKSA-N -1 1 396.491 3.437 20 30 GGEDMM C=CC[C@@H](C(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1)c1ccccc1 ZINC000277855336 1435336520 /nfs/dbraw/zinc/33/65/20/1435336520.db2.gz XSOAGMVFSUJSOJ-QGZVFWFLSA-N -1 1 382.464 3.047 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1C(=O)N1CCCCC1 ZINC000279821793 1435547372 /nfs/dbraw/zinc/54/73/72/1435547372.db2.gz BASRUPCVRKOINO-UHFFFAOYSA-N -1 1 397.500 3.488 20 30 GGEDMM CC(C)OCCOCc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000279821893 1435547539 /nfs/dbraw/zinc/54/75/39/1435547539.db2.gz BDSWVYBTJQFKNI-UHFFFAOYSA-N -1 1 388.489 3.495 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000279898977 1435559939 /nfs/dbraw/zinc/55/99/39/1435559939.db2.gz ISYHSYHWHRVMTJ-MOPGFXCFSA-N -1 1 386.473 3.236 20 30 GGEDMM Cc1ccc(N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000281973881 1435829193 /nfs/dbraw/zinc/82/91/93/1435829193.db2.gz LXCOKYSDVKDLDX-UHFFFAOYSA-N -1 1 391.880 3.158 20 30 GGEDMM CCOc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821418176 1441431174 /nfs/dbraw/zinc/43/11/74/1441431174.db2.gz XDEUKOSFXUTGDK-UHFFFAOYSA-N -1 1 386.362 3.351 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822801719 1441453269 /nfs/dbraw/zinc/45/32/69/1441453269.db2.gz NEPUVORMMIOZGC-UXHICEINSA-N -1 1 386.459 3.098 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)s1 ZINC000822823472 1441470701 /nfs/dbraw/zinc/47/07/01/1441470701.db2.gz RNMAPLBBEWWUDO-UHFFFAOYSA-N -1 1 393.457 3.099 20 30 GGEDMM C#CCOc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000735381272 1441471847 /nfs/dbraw/zinc/47/18/47/1441471847.db2.gz SDROZVYSQQVJER-UHFFFAOYSA-N -1 1 388.431 3.075 20 30 GGEDMM CCOc1ccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825642861 1441493244 /nfs/dbraw/zinc/49/32/44/1441493244.db2.gz CJWHRIPFIRPBSV-UHFFFAOYSA-N -1 1 399.455 3.115 20 30 GGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ncc(Br)s1 ZINC000826400244 1441495819 /nfs/dbraw/zinc/49/58/19/1441495819.db2.gz SVKZPGQAXMHFAR-ONEGZZNKSA-N -1 1 380.202 3.121 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820313164 1441501943 /nfs/dbraw/zinc/50/19/43/1441501943.db2.gz BLBDQKVYNNTECH-IFXJQAMLSA-N -1 1 390.447 3.019 20 30 GGEDMM N#Cc1ccc(NC(=S)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1Cl ZINC000826385688 1441537013 /nfs/dbraw/zinc/53/70/13/1441537013.db2.gz XBZQMNJWOWAQIR-UHFFFAOYSA-N -1 1 395.879 3.367 20 30 GGEDMM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nnn[n-]2)s1 ZINC000826399833 1441537411 /nfs/dbraw/zinc/53/74/11/1441537411.db2.gz HISOYHBVUDGLPI-DAFODLJHSA-N -1 1 377.223 3.292 20 30 GGEDMM N#Cc1ccc(Cl)cc1NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826385180 1441537520 /nfs/dbraw/zinc/53/75/20/1441537520.db2.gz AJXJYXUVIJKTQO-UHFFFAOYSA-N -1 1 376.811 3.394 20 30 GGEDMM N#CC1CCN(C(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000822806440 1441538520 /nfs/dbraw/zinc/53/85/20/1441538520.db2.gz MTPIRWAUHGYZKC-UHFFFAOYSA-N -1 1 390.472 3.394 20 30 GGEDMM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C1(C#N)CCC1 ZINC000737278552 1441552839 /nfs/dbraw/zinc/55/28/39/1441552839.db2.gz BLEDPWFQELHQBJ-UHFFFAOYSA-N -1 1 388.431 3.387 20 30 GGEDMM C#CC[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000735375696 1441579757 /nfs/dbraw/zinc/57/97/57/1441579757.db2.gz PCRVEXIBBARLHP-IBGZPJMESA-N -1 1 391.431 3.119 20 30 GGEDMM C[C@](C#N)(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735505688 1441587999 /nfs/dbraw/zinc/58/79/99/1441587999.db2.gz VAMIXCMNWNOBMZ-OAQYLSRUSA-N -1 1 396.495 3.395 20 30 GGEDMM CCc1noc(C2CCC(N=Nc3oc(C(C)C)nc3-c3nnn[n-]3)CC2)n1 ZINC000825775952 1441596887 /nfs/dbraw/zinc/59/68/87/1441596887.db2.gz AKHTZGISSIFYDP-UHFFFAOYSA-N -1 1 385.432 3.049 20 30 GGEDMM CCc1ccc(C=NOCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821482851 1441611618 /nfs/dbraw/zinc/61/16/18/1441611618.db2.gz VTTGDXRUHANJAE-UHFFFAOYSA-N -1 1 375.392 3.030 20 30 GGEDMM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1NC(=O)c1cc(C#N)c[nH]1 ZINC000822211978 1441611792 /nfs/dbraw/zinc/61/17/92/1441611792.db2.gz WNLWZAXRFOIJCC-UHFFFAOYSA-N -1 1 385.387 3.420 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820313165 1441618045 /nfs/dbraw/zinc/61/80/45/1441618045.db2.gz BLBDQKVYNNTECH-KUHUBIRLSA-N -1 1 390.447 3.019 20 30 GGEDMM N#Cc1ccc(NC(=O)CCOc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737715630 1441634501 /nfs/dbraw/zinc/63/45/01/1441634501.db2.gz CJMCMZZXEOZCIG-UHFFFAOYSA-N -1 1 384.399 3.299 20 30 GGEDMM C=CCCC[C@H](C)NC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823894094 1441641887 /nfs/dbraw/zinc/64/18/87/1441641887.db2.gz HGZCDBAKVICNSS-LBPRGKRZSA-N -1 1 387.444 3.301 20 30 GGEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112458 1441644171 /nfs/dbraw/zinc/64/41/71/1441644171.db2.gz RSUIZPXKIMFVFX-HNNXBMFYSA-N -1 1 389.463 3.420 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cnn1-c1ccc(C#N)cc1 ZINC000826234463 1441672369 /nfs/dbraw/zinc/67/23/69/1441672369.db2.gz XSODYVVSLAUSFE-UITAMQMPSA-N -1 1 399.389 3.268 20 30 GGEDMM Cc1c(C(=O)C=Cc2cccc(OC(F)F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202950 1441676792 /nfs/dbraw/zinc/67/67/92/1441676792.db2.gz QEFKUPQEGKVBTC-BQYQJAHWSA-N -1 1 385.374 3.420 20 30 GGEDMM CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cn1 ZINC000736844252 1441681530 /nfs/dbraw/zinc/68/15/30/1441681530.db2.gz UHLIWXVUNKCAQM-UHFFFAOYSA-N -1 1 396.414 3.154 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)nc1 ZINC000737712441 1441708421 /nfs/dbraw/zinc/70/84/21/1441708421.db2.gz QAFKOVBNKODGRB-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM N#Cc1ccc(CCC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822825759 1441763457 /nfs/dbraw/zinc/76/34/57/1441763457.db2.gz OEGDPWASCVLDFE-UHFFFAOYSA-N -1 1 399.357 3.016 20 30 GGEDMM N#Cc1c2c(sc1NC(=O)CSc1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000737706780 1441774720 /nfs/dbraw/zinc/77/47/20/1441774720.db2.gz ZTORDOXSIJHYNE-UHFFFAOYSA-N -1 1 396.501 3.409 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000826340897 1441784108 /nfs/dbraw/zinc/78/41/08/1441784108.db2.gz OLAAVWBSVOAGGA-AWEZNQCLSA-N -1 1 380.408 3.188 20 30 GGEDMM C=CCN(Cc1cccs1)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819745416 1441819477 /nfs/dbraw/zinc/81/94/77/1441819477.db2.gz BTRGMSIRHIJORQ-UHFFFAOYSA-N -1 1 379.449 3.166 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1C1CCCCC1 ZINC000826260387 1441840654 /nfs/dbraw/zinc/84/06/54/1441840654.db2.gz LQFQXBFZQXEDHT-UHFFFAOYSA-N -1 1 376.424 3.001 20 30 GGEDMM C#Cc1cccc(N2C(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)SC2=S)c1 ZINC000819710008 1441845361 /nfs/dbraw/zinc/84/53/61/1441845361.db2.gz VLHXLQKZGRQHOX-ZSOIEALJSA-N -1 1 395.494 3.315 20 30 GGEDMM Clc1ccc(Br)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822574186 1441902881 /nfs/dbraw/zinc/90/28/81/1441902881.db2.gz PPKQSFMKOYQVIJ-UHFFFAOYSA-N -1 1 391.660 3.406 20 30 GGEDMM C=CCN(C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C1CC1 ZINC000823904279 1441902998 /nfs/dbraw/zinc/90/29/98/1441902998.db2.gz ZGRQSNNXSCLFME-UHFFFAOYSA-N -1 1 377.408 3.236 20 30 GGEDMM C=CCc1ccc(OCC(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000735443380 1441908830 /nfs/dbraw/zinc/90/88/30/1441908830.db2.gz UCQLQYQVQFQPTK-UHFFFAOYSA-N -1 1 393.447 3.036 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000824280096 1441915082 /nfs/dbraw/zinc/91/50/82/1441915082.db2.gz CQDUTZXFKRAQCW-UHFFFAOYSA-N -1 1 390.791 3.061 20 30 GGEDMM CC(C)C[C@@H](C#N)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735757095 1441923674 /nfs/dbraw/zinc/92/36/74/1441923674.db2.gz SXQRQIRSKCEROX-KRWDZBQOSA-N -1 1 390.447 3.114 20 30 GGEDMM C[C@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)C1 ZINC000824776855 1441933704 /nfs/dbraw/zinc/93/37/04/1441933704.db2.gz DXOCOFZMKYHVOZ-GOSISDBHSA-N -1 1 385.378 3.146 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000735420393 1441957244 /nfs/dbraw/zinc/95/72/44/1441957244.db2.gz PGWYSSPTMORUHX-DLBZAZTESA-N -1 1 386.525 3.239 20 30 GGEDMM N#Cc1ccc(N2CC[C@H](Sc3cccc(Cl)c3-c3nnn[n-]3)C2=O)cc1 ZINC000826385499 1441986662 /nfs/dbraw/zinc/98/66/62/1441986662.db2.gz PEBRVLOQKFAHOB-HNNXBMFYSA-N -1 1 396.863 3.289 20 30 GGEDMM N#Cc1c(-c2nnn[n-]2)nc(N)n1Cc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000822814489 1441995455 /nfs/dbraw/zinc/99/54/55/1441995455.db2.gz FRSILEHAOHLJCP-UHFFFAOYSA-N -1 1 392.810 3.011 20 30 GGEDMM CC(C)(C#N)CCOC(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824059434 1442024047 /nfs/dbraw/zinc/02/40/47/1442024047.db2.gz VAVUNJQTFZHVDF-UHFFFAOYSA-N -1 1 381.392 3.135 20 30 GGEDMM COCCOc1ccc(-c2nnn[n-]2)cc1NCC#Cc1cccc(Cl)c1 ZINC000826161990 1442097977 /nfs/dbraw/zinc/09/79/77/1442097977.db2.gz IRDGHQJNHONMLS-UHFFFAOYSA-N -1 1 383.839 3.009 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1-c1nnn[n-]1 ZINC000737718847 1442141540 /nfs/dbraw/zinc/14/15/40/1442141540.db2.gz NLHVSEWSMSHMQV-UHFFFAOYSA-N -1 1 391.372 3.114 20 30 GGEDMM Cc1cc(C#N)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826256960 1442168311 /nfs/dbraw/zinc/16/83/11/1442168311.db2.gz IDFQOBGFNZSTET-UHFFFAOYSA-N -1 1 398.220 3.166 20 30 GGEDMM CC(C)[C@](C)(C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735690737 1442214659 /nfs/dbraw/zinc/21/46/59/1442214659.db2.gz MKYKCIXXCCMUPP-FQEVSTJZSA-N -1 1 394.410 3.466 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2nc3c(s2)CCCC3)o1 ZINC000823963054 1442261935 /nfs/dbraw/zinc/26/19/35/1442261935.db2.gz UKTBZMRQHGOTNE-UHFFFAOYSA-N -1 1 386.485 3.225 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nc2ccccc2n1C(F)F ZINC000819773120 1442336132 /nfs/dbraw/zinc/33/61/32/1442336132.db2.gz OIYAZWTUHQOIJD-UHFFFAOYSA-N -1 1 382.378 3.125 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)COc1ccc(-c2nnn[n-]2)cc1 ZINC000735973328 1442365768 /nfs/dbraw/zinc/36/57/68/1442365768.db2.gz GECCKBVCZADSHO-ZDUSSCGKSA-N -1 1 394.460 3.278 20 30 GGEDMM N#Cc1ccc(CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000737712814 1442368789 /nfs/dbraw/zinc/36/87/89/1442368789.db2.gz UWVBBZUPSGEJOU-UHFFFAOYSA-N -1 1 385.353 3.321 20 30 GGEDMM Fc1ccc(-c2nc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cs2)cc1 ZINC000822753312 1442382027 /nfs/dbraw/zinc/38/20/27/1442382027.db2.gz MQSPZISKYVGKDM-UHFFFAOYSA-N -1 1 379.424 3.253 20 30 GGEDMM N#CC1(OC(=O)c2ccc(Oc3cccc(F)c3-c3nnn[n-]3)cc2)CCC1 ZINC000822801811 1442429870 /nfs/dbraw/zinc/42/98/70/1442429870.db2.gz PBXVZTKKMRXRPF-UHFFFAOYSA-N -1 1 379.351 3.401 20 30 GGEDMM COc1cccc(OC)c1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826217473 1442445544 /nfs/dbraw/zinc/44/55/44/1442445544.db2.gz NTMAEVYFEFGHDT-UHFFFAOYSA-N -1 1 392.341 3.349 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc(Cl)ccc2OC(F)F)ccc1-c1nnn[n-]1 ZINC000822822704 1442489274 /nfs/dbraw/zinc/48/92/74/1442489274.db2.gz CHYQNMAYPFETNZ-UHFFFAOYSA-N -1 1 390.737 3.245 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cc(F)ccc2Br)o1 ZINC000824352553 1443074458 /nfs/dbraw/zinc/07/44/58/1443074458.db2.gz IGMVMYRMEATMNV-UHFFFAOYSA-N -1 1 394.208 3.326 20 30 GGEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822936952 1443111886 /nfs/dbraw/zinc/11/18/86/1443111886.db2.gz YDVNFNWWGZQOCR-XFXZXTDPSA-N -1 1 398.344 3.494 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1-c1nnn[n-]1 ZINC000737720090 1443143278 /nfs/dbraw/zinc/14/32/78/1443143278.db2.gz YHBITBTWEDHKJJ-UHFFFAOYSA-N -1 1 396.414 3.054 20 30 GGEDMM C=C1CCN(C(=O)c2cccc(COc3ccccc3-c3nnn[n-]3)c2)CC1 ZINC000735403133 1443176926 /nfs/dbraw/zinc/17/69/26/1443176926.db2.gz PYGHTTALFKWYJP-UHFFFAOYSA-N -1 1 375.432 3.238 20 30 GGEDMM C#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000735390358 1443182708 /nfs/dbraw/zinc/18/27/08/1443182708.db2.gz YAAZRJIBPHBVNQ-UHFFFAOYSA-N -1 1 382.383 3.288 20 30 GGEDMM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000826249956 1443192402 /nfs/dbraw/zinc/19/24/02/1443192402.db2.gz CTHLBIHRQUPTQX-UHFFFAOYSA-N -1 1 397.398 3.486 20 30 GGEDMM C=CC1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)CC1 ZINC000823887941 1443217914 /nfs/dbraw/zinc/21/79/14/1443217914.db2.gz BHLFRPLDHRZOIX-UHFFFAOYSA-N -1 1 398.858 3.136 20 30 GGEDMM N#CCCSc1ccccc1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737693157 1443221654 /nfs/dbraw/zinc/22/16/54/1443221654.db2.gz DAZBJIFBDOHWKD-UHFFFAOYSA-N -1 1 378.461 3.444 20 30 GGEDMM CCN(CCC#N)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000825420033 1443234374 /nfs/dbraw/zinc/23/43/74/1443234374.db2.gz YSYKVAPIQYTKHD-UHFFFAOYSA-N -1 1 378.461 3.394 20 30 GGEDMM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1sccc1-c1nnn[n-]1 ZINC000823397070 1443263432 /nfs/dbraw/zinc/26/34/32/1443263432.db2.gz RKWOVAYJUQVDPN-UHFFFAOYSA-N -1 1 378.335 3.156 20 30 GGEDMM Cc1ccccc1NC(=S)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000822361969 1443351650 /nfs/dbraw/zinc/35/16/50/1443351650.db2.gz LVOJJBAFMMNYEE-UHFFFAOYSA-N -1 1 377.477 3.202 20 30 GGEDMM O=C1c2ccc(Br)cc2OC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823504459 1443355837 /nfs/dbraw/zinc/35/58/37/1443355837.db2.gz QIOJCCVSZHOVJD-XGICHPGQSA-N -1 1 375.207 3.307 20 30 GGEDMM CN(Cc1ccc(C#N)cc1)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736816448 1443391875 /nfs/dbraw/zinc/39/18/75/1443391875.db2.gz HSNMNFUJZDSWFP-UHFFFAOYSA-N -1 1 383.868 3.221 20 30 GGEDMM N#Cc1cccc(Cl)c1N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737731056 1443397709 /nfs/dbraw/zinc/39/77/09/1443397709.db2.gz XBQKUDFNTCRAPC-UHFFFAOYSA-N -1 1 393.882 3.104 20 30 GGEDMM N#Cc1cccc(Cl)c1N1CCCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737731056 1443397713 /nfs/dbraw/zinc/39/77/13/1443397713.db2.gz XBQKUDFNTCRAPC-UHFFFAOYSA-N -1 1 393.882 3.104 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820166218 1443402194 /nfs/dbraw/zinc/40/21/94/1443402194.db2.gz ULEIAGFZUMAQIT-CYBMUJFWSA-N -1 1 391.435 3.408 20 30 GGEDMM C=CCOCCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823925312 1443415288 /nfs/dbraw/zinc/41/52/88/1443415288.db2.gz HRLYMXFBNXEHPE-UHFFFAOYSA-N -1 1 399.838 3.245 20 30 GGEDMM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400227 1443436598 /nfs/dbraw/zinc/43/65/98/1443436598.db2.gz SNSYOIYQEZOVGQ-KXFIGUGUSA-N -1 1 389.184 3.370 20 30 GGEDMM CCCOc1ccc(C=NOCc2cc(-c3nnn[n-]3)ccc2OC)cc1OC ZINC000825338528 1443441754 /nfs/dbraw/zinc/44/17/54/1443441754.db2.gz BVLUKVCMVVHVJM-UHFFFAOYSA-N -1 1 397.435 3.223 20 30 GGEDMM O=C(NCC#Cc1ccccc1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826432807 1443448339 /nfs/dbraw/zinc/44/83/39/1443448339.db2.gz LUKCARGTBLXMOD-UHFFFAOYSA-N -1 1 395.422 3.441 20 30 GGEDMM N#CCc1ccnc(NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)c1 ZINC000826382616 1443454771 /nfs/dbraw/zinc/45/47/71/1443454771.db2.gz NFLMCXADECTZJD-UHFFFAOYSA-N -1 1 397.398 3.372 20 30 GGEDMM C=CCOc1cccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735436127 1443462633 /nfs/dbraw/zinc/46/26/33/1443462633.db2.gz GGTOQHDGIJEBIB-IBGZPJMESA-N -1 1 390.447 3.039 20 30 GGEDMM C[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccc(CNc2ncccc2C#N)cc1 ZINC000824671081 1443472293 /nfs/dbraw/zinc/47/22/93/1443472293.db2.gz WOFVFLWCMOFXCV-AWEZNQCLSA-N -1 1 397.446 3.314 20 30 GGEDMM CC(C)(C)OC(=O)Nc1ncccc1C=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000824114306 1443474843 /nfs/dbraw/zinc/47/48/43/1443474843.db2.gz NSZDQPSUFJVNTE-UHFFFAOYSA-N -1 1 380.412 3.055 20 30 GGEDMM CC(=NNc1nc(-c2ccccn2)nc2c1CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450866 1443478405 /nfs/dbraw/zinc/47/84/05/1443478405.db2.gz HFKJSVPDEDEFBZ-UHFFFAOYSA-N -1 1 397.446 3.044 20 30 GGEDMM N#Cc1cc(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737704108 1443482267 /nfs/dbraw/zinc/48/22/67/1443482267.db2.gz HCCSHXFWKBTHOO-HNNXBMFYSA-N -1 1 386.337 3.413 20 30 GGEDMM N#Cc1cc(NC(=O)Cc2coc3cc4c(cc23)CCC4)ccc1-c1nnn[n-]1 ZINC000737707570 1443495000 /nfs/dbraw/zinc/49/50/00/1443495000.db2.gz ADFFDWSFTUOJAD-UHFFFAOYSA-N -1 1 384.399 3.154 20 30 GGEDMM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1O ZINC000737084168 1443496518 /nfs/dbraw/zinc/49/65/18/1443496518.db2.gz YQGYFXCTYNBEGN-UHFFFAOYSA-N -1 1 378.314 3.046 20 30 GGEDMM C=CCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735431659 1443503149 /nfs/dbraw/zinc/50/31/49/1443503149.db2.gz HVSILVUDEQJJSW-UHFFFAOYSA-N -1 1 384.440 3.057 20 30 GGEDMM Clc1cccc(-c2n[nH]cc2C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826352866 1443525576 /nfs/dbraw/zinc/52/55/76/1443525576.db2.gz QTVJBBURQHCEKC-UHFFFAOYSA-N -1 1 378.827 3.034 20 30 GGEDMM N#Cc1ccc(C(=O)Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)cn1 ZINC000822825747 1443528432 /nfs/dbraw/zinc/52/84/32/1443528432.db2.gz NUBBYZVGBYPZLX-UHFFFAOYSA-N -1 1 384.355 3.145 20 30 GGEDMM Cn1cc(C=C2Cc3cc(F)ccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359544 1443554296 /nfs/dbraw/zinc/55/42/96/1443554296.db2.gz KGFQOWZWHFFMCB-DHDCSXOGSA-N -1 1 386.390 3.229 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(-c2ccncc2)cc1 ZINC000822935424 1443560093 /nfs/dbraw/zinc/56/00/93/1443560093.db2.gz KMZPAJRTCWOVOC-VOTSOKGWSA-N -1 1 393.410 3.473 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1ccc(F)cc1F ZINC000823909415 1443581671 /nfs/dbraw/zinc/58/16/71/1443581671.db2.gz CDKYAPJPXAUQKY-UHFFFAOYSA-N -1 1 383.402 3.292 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnn(-c2ccc(F)cc2)c1C ZINC000819773557 1443582626 /nfs/dbraw/zinc/58/26/26/1443582626.db2.gz ULJOMCISJXKNFG-UHFFFAOYSA-N -1 1 390.426 3.014 20 30 GGEDMM Brc1ccc2c(c1)OCCC2=NNc1cccc(-c2nnn[n-]2)c1 ZINC000823832737 1443619719 /nfs/dbraw/zinc/61/97/19/1443619719.db2.gz UZAFVWXRYSAYFF-UHFFFAOYSA-N -1 1 385.225 3.228 20 30 GGEDMM N#Cc1cc(Cl)ccc1-n1ccc(NCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000826383455 1443626242 /nfs/dbraw/zinc/62/62/42/1443626242.db2.gz BGCVLQPDLLMUDW-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM C[C@H](C#N)CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819844492 1443639104 /nfs/dbraw/zinc/63/91/04/1443639104.db2.gz ITCPFRRCOVETOF-LLVKDONJSA-N -1 1 381.371 3.079 20 30 GGEDMM C=CC[C@@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccncc1 ZINC000735410048 1443660047 /nfs/dbraw/zinc/66/00/47/1443660047.db2.gz SCHDAVTVVSPTDF-LJQANCHMSA-N -1 1 391.479 3.499 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826233673 1443661426 /nfs/dbraw/zinc/66/14/26/1443661426.db2.gz QWGFYLNLTHQLQR-UHFFFAOYSA-N -1 1 397.442 3.327 20 30 GGEDMM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000825972242 1443666887 /nfs/dbraw/zinc/66/68/87/1443666887.db2.gz XNFMOZBOGBFDIN-UHFFFAOYSA-N -1 1 387.230 3.317 20 30 GGEDMM COc1cccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826213989 1443670800 /nfs/dbraw/zinc/67/08/00/1443670800.db2.gz VUIBEEABJCIHIF-ZHACJKMWSA-N -1 1 386.415 3.172 20 30 GGEDMM COc1cccc(NN=C(C)c2cnn(-c3ccc(-c4nnn[n-]4)cc3)c2C)c1 ZINC000737142536 1443697996 /nfs/dbraw/zinc/69/79/96/1443697996.db2.gz XXXHUNXABFQRCG-UHFFFAOYSA-N -1 1 388.435 3.206 20 30 GGEDMM COCCC(Cc1cccc(F)c1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826154736 1443710584 /nfs/dbraw/zinc/71/05/84/1443710584.db2.gz WSMHCNGPNRZEQM-UHFFFAOYSA-N -1 1 389.822 3.101 20 30 GGEDMM C#CCOc1ccc(C(=O)N(CC)[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735380882 1443732635 /nfs/dbraw/zinc/73/26/35/1443732635.db2.gz NFOKXDGQNKISBL-OAHLLOKOSA-N -1 1 375.432 3.102 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822801373 1443762269 /nfs/dbraw/zinc/76/22/69/1443762269.db2.gz HXUSEBGHTOCSOK-SFTDATJTSA-N -1 1 388.475 3.407 20 30 GGEDMM C=C[C@H](C)NC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000819729167 1443784118 /nfs/dbraw/zinc/78/41/18/1443784118.db2.gz DUIFLNXUIUXDMY-AWEZNQCLSA-N -1 1 378.436 3.450 20 30 GGEDMM COc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1OC(F)F ZINC000826215237 1443789672 /nfs/dbraw/zinc/78/96/72/1443789672.db2.gz JVWTXERIKAMYHU-WAYWQWQTSA-N -1 1 378.360 3.434 20 30 GGEDMM N#Cc1csc(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)c1 ZINC000822846352 1443806323 /nfs/dbraw/zinc/80/63/23/1443806323.db2.gz YMUPOSMTESOHQK-UHFFFAOYSA-N -1 1 393.457 3.099 20 30 GGEDMM Cn1cc(C=C2CCc3c(O)cccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359423 1443813755 /nfs/dbraw/zinc/81/37/55/1443813755.db2.gz GPZTXAZGMMEFNF-RVDMUPIBSA-N -1 1 398.426 3.185 20 30 GGEDMM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c(O)c1 ZINC000826281197 1443819608 /nfs/dbraw/zinc/81/96/08/1443819608.db2.gz IGBBMZNMOOIDPN-CSKARUKUSA-N -1 1 386.415 3.177 20 30 GGEDMM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c(O)c1 ZINC000826281197 1443819610 /nfs/dbraw/zinc/81/96/10/1443819610.db2.gz IGBBMZNMOOIDPN-CSKARUKUSA-N -1 1 386.415 3.177 20 30 GGEDMM N#Cc1cc(F)ccc1COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737705644 1443849080 /nfs/dbraw/zinc/84/90/80/1443849080.db2.gz QQDHRUNVPRNHPE-UHFFFAOYSA-N -1 1 395.394 3.170 20 30 GGEDMM C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819742859 1443852294 /nfs/dbraw/zinc/85/22/94/1443852294.db2.gz AVXGPDRYDARFHJ-OAHLLOKOSA-N -1 1 375.885 3.303 20 30 GGEDMM C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819742859 1443852301 /nfs/dbraw/zinc/85/23/01/1443852301.db2.gz AVXGPDRYDARFHJ-OAHLLOKOSA-N -1 1 375.885 3.303 20 30 GGEDMM N#C[C@@H](C(=O)CCc1ccc(-c2nnn[n-]2)cc1)c1nc2cc(F)ccc2s1 ZINC000737672455 1443866076 /nfs/dbraw/zinc/86/60/76/1443866076.db2.gz IDHPJIIUWNVZMR-AWEZNQCLSA-N -1 1 392.419 3.425 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1Br ZINC000826260487 1443880544 /nfs/dbraw/zinc/88/05/44/1443880544.db2.gz QPYGFMJGNQDPDQ-UHFFFAOYSA-N -1 1 383.209 3.062 20 30 GGEDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000824513935 1443909751 /nfs/dbraw/zinc/90/97/51/1443909751.db2.gz KJRMSHKULDJKQA-CQSZACIVSA-N -1 1 395.426 3.291 20 30 GGEDMM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CO2 ZINC000825342710 1443922746 /nfs/dbraw/zinc/92/27/46/1443922746.db2.gz WUKMNVZHBZTPMA-JYRVWZFOSA-N -1 1 380.379 3.453 20 30 GGEDMM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1Cn1cccn1 ZINC000821769854 1443936735 /nfs/dbraw/zinc/93/67/35/1443936735.db2.gz LLNWQCQVSVOUOZ-SNAWJCMRSA-N -1 1 392.444 3.078 20 30 GGEDMM C=CCOCCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000819750976 1443962435 /nfs/dbraw/zinc/96/24/35/1443962435.db2.gz LFGUFNUOLOYEJG-HNNXBMFYSA-N -1 1 394.460 3.149 20 30 GGEDMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736237310 1443969126 /nfs/dbraw/zinc/96/91/26/1443969126.db2.gz PDLQWWAOPXEWEC-RPVQJOFSSA-N -1 1 382.468 3.154 20 30 GGEDMM CC[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(=O)c1ccc(Cl)cc1 ZINC000820938292 1443989062 /nfs/dbraw/zinc/98/90/62/1443989062.db2.gz IAYQDSIFTPJBRK-CYBMUJFWSA-N -1 1 399.867 3.123 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(Cl)c(Br)c2)o1 ZINC000826322848 1443996598 /nfs/dbraw/zinc/99/65/98/1443996598.db2.gz DMAMLDGHLLVIPJ-UHFFFAOYSA-N -1 1 382.609 3.025 20 30 GGEDMM C=CCCCN(C)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735412682 1443999166 /nfs/dbraw/zinc/99/91/66/1443999166.db2.gz IQQFRBJABUIVHC-UHFFFAOYSA-N -1 1 377.448 3.484 20 30 GGEDMM N#Cc1ccc(COC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737719431 1444026986 /nfs/dbraw/zinc/02/69/86/1444026986.db2.gz UPTORCHXWJMLEB-UHFFFAOYSA-N -1 1 398.382 3.283 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1cccc(F)c1F ZINC000735420271 1446174880 /nfs/dbraw/zinc/17/48/80/1446174880.db2.gz NYEJADPPBLJBTQ-UHFFFAOYSA-N -1 1 398.417 3.085 20 30 GGEDMM Cc1nnc(NCc2cccc(-c3ccc(C#N)s3)c2)c(-c2nnn[n-]2)c1C ZINC000737534063 1446223449 /nfs/dbraw/zinc/22/34/49/1446223449.db2.gz RZRGKQSAMFKYGR-UHFFFAOYSA-N -1 1 388.460 3.486 20 30 GGEDMM C=CCOCCCC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000823925998 1446240694 /nfs/dbraw/zinc/24/06/94/1446240694.db2.gz VCCDQNDSLYLLIJ-UHFFFAOYSA-N -1 1 380.452 3.196 20 30 GGEDMM N#Cc1ccc(N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(C(F)(F)F)c1 ZINC000737717400 1446261158 /nfs/dbraw/zinc/26/11/58/1446261158.db2.gz CUWHPYKSZCYZSH-UHFFFAOYSA-N -1 1 399.380 3.084 20 30 GGEDMM O=C1c2ccc(Br)cc2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475806 1446267484 /nfs/dbraw/zinc/26/74/84/1446267484.db2.gz RDVKCEFEKZZSOR-YRNVUSSQSA-N -1 1 383.205 3.288 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(OC(F)F)c(F)c2)o1 ZINC000824280404 1446268201 /nfs/dbraw/zinc/26/82/01/1446268201.db2.gz MDGGWQWSWQOAEA-UHFFFAOYSA-N -1 1 395.345 3.240 20 30 GGEDMM C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735391370 1446285773 /nfs/dbraw/zinc/28/57/73/1446285773.db2.gz RBDDRHAEACUVRX-UHFFFAOYSA-N -1 1 386.440 3.152 20 30 GGEDMM Cc1sc(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C ZINC000737560820 1446289867 /nfs/dbraw/zinc/28/98/67/1446289867.db2.gz HQPCNXHLGJZLGC-OAHLLOKOSA-N -1 1 393.476 3.024 20 30 GGEDMM N#Cc1ccc(NC(=S)NCc2cc(-c3nnn[n-]3)ccc2F)cc1Cl ZINC000822829676 1446334529 /nfs/dbraw/zinc/33/45/29/1446334529.db2.gz DCYFILHOSJFAHY-UHFFFAOYSA-N -1 1 387.831 3.017 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)nnn1-c1cccc(Cl)c1 ZINC000822016364 1446341371 /nfs/dbraw/zinc/34/13/71/1446341371.db2.gz YOSPJSVHELMHMI-FNORWQNLSA-N -1 1 397.851 3.367 20 30 GGEDMM N#CCc1ccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826382842 1446349773 /nfs/dbraw/zinc/34/97/73/1446349773.db2.gz XNAWQHJVZFWBAC-UHFFFAOYSA-N -1 1 391.431 3.225 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822802052 1446361127 /nfs/dbraw/zinc/36/11/27/1446361127.db2.gz UOQUCRNCJKNDDN-FUHWJXTLSA-N -1 1 389.488 3.335 20 30 GGEDMM N#Cc1ccc(CNC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000826384992 1446391406 /nfs/dbraw/zinc/39/14/06/1446391406.db2.gz SGJUFJQRCFODHS-UHFFFAOYSA-N -1 1 396.410 3.461 20 30 GGEDMM Clc1cc(NN=Cc2cnc(-c3ccncc3)s2)ccc1-c1nnn[n-]1 ZINC000826351568 1446394817 /nfs/dbraw/zinc/39/48/17/1446394817.db2.gz RKAKEDIVHNCAMI-UHFFFAOYSA-N -1 1 382.840 3.485 20 30 GGEDMM N#CCCCCOC(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737688753 1446416907 /nfs/dbraw/zinc/41/69/07/1446416907.db2.gz XRJRMXZFIHDUQG-UHFFFAOYSA-N -1 1 377.404 3.296 20 30 GGEDMM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000820555055 1446442189 /nfs/dbraw/zinc/44/21/89/1446442189.db2.gz FQAMIQZOGBUQDD-JTQLQIEISA-N -1 1 396.501 3.408 20 30 GGEDMM N#CCCCOc1cccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826381641 1446472079 /nfs/dbraw/zinc/47/20/79/1446472079.db2.gz SQSFVVORBCAKHS-UHFFFAOYSA-N -1 1 382.811 3.455 20 30 GGEDMM C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820374207 1446482606 /nfs/dbraw/zinc/48/26/06/1446482606.db2.gz MWPJZYKCEQODHR-LBPRGKRZSA-N -1 1 378.440 3.178 20 30 GGEDMM N#CC1CCN(C(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)CC1 ZINC000737677430 1446484210 /nfs/dbraw/zinc/48/42/10/1446484210.db2.gz CLYZJFHTAGHYHX-UHFFFAOYSA-N -1 1 393.476 3.040 20 30 GGEDMM N#CCc1ccc(Oc2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737698478 1446489472 /nfs/dbraw/zinc/48/94/72/1446489472.db2.gz ZIHKPNZEHDTHCU-UHFFFAOYSA-N -1 1 397.398 3.372 20 30 GGEDMM O=C(C=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1)c1cnccn1 ZINC000737801802 1446516588 /nfs/dbraw/zinc/51/65/88/1446516588.db2.gz UMYKRGDQQOEHJW-CMDGGOBGSA-N -1 1 384.399 3.132 20 30 GGEDMM C#Cc1cccc(N(C)C(=O)c2ccc(COc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000735391593 1446526181 /nfs/dbraw/zinc/52/61/81/1446526181.db2.gz UGJIRHKKCOXXLA-UHFFFAOYSA-N -1 1 399.410 3.297 20 30 GGEDMM CCO[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C12CCCCC2 ZINC000825577284 1446547535 /nfs/dbraw/zinc/54/75/35/1446547535.db2.gz UZKJNZXPLYDIBI-CYBMUJFWSA-N -1 1 375.864 3.442 20 30 GGEDMM CCc1oc2ccccc2c1C=NOCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736714313 1446564129 /nfs/dbraw/zinc/56/41/29/1446564129.db2.gz WZYHFHHUXCHTRR-UHFFFAOYSA-N -1 1 390.403 3.165 20 30 GGEDMM Cc1ncsc1C=CC(=O)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822481869 1446619766 /nfs/dbraw/zinc/61/97/66/1446619766.db2.gz GIWNZEDECMQDLW-FPLPWBNLSA-N -1 1 377.433 3.022 20 30 GGEDMM C#Cc1cccc(N(CC)C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735391744 1446642286 /nfs/dbraw/zinc/64/22/86/1446642286.db2.gz XGIWVSUYWWCIAM-UHFFFAOYSA-N -1 1 389.459 3.450 20 30 GGEDMM Cc1c(C(=O)C=Cc2cn(C)nc2-c2ccccc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826234222 1446653532 /nfs/dbraw/zinc/65/35/32/1446653532.db2.gz MVTSPVMDBWOQHQ-ZHACJKMWSA-N -1 1 399.458 3.219 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822802263 1446727085 /nfs/dbraw/zinc/72/70/85/1446727085.db2.gz YFZWIHQXJWLXBM-RTBURBONSA-N -1 1 383.459 3.391 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822802263 1446727091 /nfs/dbraw/zinc/72/70/91/1446727091.db2.gz YFZWIHQXJWLXBM-RTBURBONSA-N -1 1 383.459 3.391 20 30 GGEDMM C#CCCCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000819692778 1446727484 /nfs/dbraw/zinc/72/74/84/1446727484.db2.gz KXHYVQNAJVESFF-UHFFFAOYSA-N -1 1 390.447 3.289 20 30 GGEDMM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1c(F)cc(C#N)cc1F ZINC000820151465 1446734179 /nfs/dbraw/zinc/73/41/79/1446734179.db2.gz IFZWWSZFWLMVER-UHFFFAOYSA-N -1 1 384.346 3.056 20 30 GGEDMM CC(C)CCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735820810 1446743859 /nfs/dbraw/zinc/74/38/59/1446743859.db2.gz WYSCNGXYUZFLMA-UHFFFAOYSA-N -1 1 376.420 3.416 20 30 GGEDMM C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824715982 1446751890 /nfs/dbraw/zinc/75/18/90/1446751890.db2.gz VXSFYEPJMKAFJU-LIRRHRJNSA-N -1 1 388.431 3.012 20 30 GGEDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc(C#N)cc1Br ZINC000825961493 1446762150 /nfs/dbraw/zinc/76/21/50/1446762150.db2.gz GWXKNUFFPHHGQS-UHFFFAOYSA-N -1 1 383.253 3.133 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc2ccsc2c1 ZINC000735421401 1446789280 /nfs/dbraw/zinc/78/92/80/1446789280.db2.gz YMYHSFJRBDVEST-UHFFFAOYSA-N -1 1 376.445 3.305 20 30 GGEDMM N#Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)SC1=S ZINC000822842364 1446838575 /nfs/dbraw/zinc/83/85/75/1446838575.db2.gz FAPAWECDKBLNKJ-NTUHNPAUSA-N -1 1 396.482 3.206 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000822823097 1446856361 /nfs/dbraw/zinc/85/63/61/1446856361.db2.gz KYXPUFGTJWCVPI-UHFFFAOYSA-N -1 1 376.273 3.149 20 30 GGEDMM C=CCCC(=O)COC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823888548 1446869128 /nfs/dbraw/zinc/86/91/28/1446869128.db2.gz PYQWKLHYBSEWBL-UHFFFAOYSA-N -1 1 392.415 3.138 20 30 GGEDMM N#Cc1ccc(F)c(CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822829971 1446871624 /nfs/dbraw/zinc/87/16/24/1446871624.db2.gz ROONOBUHFFEMNW-UHFFFAOYSA-N -1 1 387.831 3.017 20 30 GGEDMM N#Cc1ccc(CNC2(c3cccc(-c4nnn[n-]4)c3)CC2)c(OC(F)F)c1 ZINC000826384893 1446871755 /nfs/dbraw/zinc/87/17/55/1446871755.db2.gz OADIHSHUWBVFLD-UHFFFAOYSA-N -1 1 382.374 3.119 20 30 GGEDMM C=CCN(C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)C(C)C ZINC000823903791 1446876655 /nfs/dbraw/zinc/87/66/55/1446876655.db2.gz KZSVWPWNCYPUNX-UHFFFAOYSA-N -1 1 386.847 3.134 20 30 GGEDMM COCCCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821688428 1446903685 /nfs/dbraw/zinc/90/36/85/1446903685.db2.gz KRRDZQGGQDBRRR-ATVHPVEESA-N -1 1 390.443 3.495 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(OCC(F)F)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201309 1446909478 /nfs/dbraw/zinc/90/94/78/1446909478.db2.gz CBSPRLCFTZAEIG-RMKNXTFCSA-N -1 1 399.401 3.463 20 30 GGEDMM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCCSC1=Nc1ccccc1 ZINC000823087318 1446923541 /nfs/dbraw/zinc/92/35/41/1446923541.db2.gz OMFLEFDXRMKNSJ-UHFFFAOYSA-N -1 1 378.461 3.062 20 30 GGEDMM CC(=NNc1ccc(F)cc1)c1cnn(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000735451005 1446926756 /nfs/dbraw/zinc/92/67/56/1446926756.db2.gz MMFXNJJIXRTFJC-UHFFFAOYSA-N -1 1 376.399 3.336 20 30 GGEDMM COc1nc2ccccc2cc1CN=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1 ZINC000826221792 1446937287 /nfs/dbraw/zinc/93/72/87/1446937287.db2.gz VJUVNCLKQUZMCP-UHFFFAOYSA-N -1 1 392.423 3.155 20 30 GGEDMM N#Cc1cnc2c(F)cc(F)cc2c1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822842503 1446942665 /nfs/dbraw/zinc/94/26/65/1446942665.db2.gz LHMQBOQFAFFDJC-UHFFFAOYSA-N -1 1 381.321 3.316 20 30 GGEDMM N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826380653 1446944081 /nfs/dbraw/zinc/94/40/81/1446944081.db2.gz IROSDMPIMXLYDS-RDTXWAMCSA-N -1 1 389.419 3.473 20 30 GGEDMM C#Cc1cccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735390705 1446966857 /nfs/dbraw/zinc/96/68/57/1446966857.db2.gz CQKOEHWMAWTTQE-UHFFFAOYSA-N -1 1 385.383 3.272 20 30 GGEDMM N#C[C@@H](C(=O)c1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2n1C(F)F ZINC000822801336 1446970355 /nfs/dbraw/zinc/97/03/55/1446970355.db2.gz HAVGJFFRZUHJQI-QMMMGPOBSA-N -1 1 385.359 3.163 20 30 GGEDMM N#Cc1ccsc1C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737728452 1446973572 /nfs/dbraw/zinc/97/35/72/1446973572.db2.gz OMENZLAUQICIEX-UHFFFAOYSA-N -1 1 392.469 3.458 20 30 GGEDMM CC[C@H](C#N)Oc1cccc(CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000736309308 1446992787 /nfs/dbraw/zinc/99/27/87/1446992787.db2.gz NJOHNJXDSQGEDN-SNVBAGLBSA-N -1 1 375.845 3.270 20 30 GGEDMM CC(C)CO[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C1(C)C ZINC000735839340 1447023650 /nfs/dbraw/zinc/02/36/50/1447023650.db2.gz PPTVVHRZBOVVRV-GFCCVEGCSA-N -1 1 375.477 3.391 20 30 GGEDMM C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736097643 1447043898 /nfs/dbraw/zinc/04/38/98/1447043898.db2.gz CMVMQCHXEPVHME-HNNXBMFYSA-N -1 1 390.447 3.165 20 30 GGEDMM CC(C)COc1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1Cl ZINC000824272142 1447047464 /nfs/dbraw/zinc/04/74/64/1447047464.db2.gz URNYIEIWZWYGKB-UHFFFAOYSA-N -1 1 397.826 3.074 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(C(=O)CC)c1 ZINC000823915089 1447066863 /nfs/dbraw/zinc/06/68/63/1447066863.db2.gz RWAWHKQQNYJUBG-UHFFFAOYSA-N -1 1 393.422 3.427 20 30 GGEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(OC(F)F)cc1 ZINC000823958317 1447077688 /nfs/dbraw/zinc/07/76/88/1447077688.db2.gz ISOZHWCCKSRWON-UHFFFAOYSA-N -1 1 379.758 3.353 20 30 GGEDMM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(OC(F)F)cc1 ZINC000823958317 1447077693 /nfs/dbraw/zinc/07/76/93/1447077693.db2.gz ISOZHWCCKSRWON-UHFFFAOYSA-N -1 1 379.758 3.353 20 30 GGEDMM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(OC(F)F)cc1 ZINC000823958317 1447077695 /nfs/dbraw/zinc/07/76/95/1447077695.db2.gz ISOZHWCCKSRWON-UHFFFAOYSA-N -1 1 379.758 3.353 20 30 GGEDMM N#C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000737674714 1447126760 /nfs/dbraw/zinc/12/67/60/1447126760.db2.gz LHOJGGPPKHIGGH-AWEZNQCLSA-N -1 1 387.230 3.097 20 30 GGEDMM C=C(C)CN(CC)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735397759 1447155902 /nfs/dbraw/zinc/15/59/02/1447155902.db2.gz DHPYFHFRFUGKJR-UHFFFAOYSA-N -1 1 383.481 3.344 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000735419543 1447184786 /nfs/dbraw/zinc/18/47/86/1447184786.db2.gz UXKNKCWGLMRZOO-IRXDYDNUSA-N -1 1 395.413 3.463 20 30 GGEDMM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)n1-c1nccs1 ZINC000826266604 1447243943 /nfs/dbraw/zinc/24/39/43/1447243943.db2.gz VHGKBJLWDQTEOY-UHFFFAOYSA-N -1 1 399.871 3.225 20 30 GGEDMM N#CCCCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826381299 1447254315 /nfs/dbraw/zinc/25/43/15/1447254315.db2.gz GEDDYNDDZJDEIC-UHFFFAOYSA-N -1 1 382.811 3.346 20 30 GGEDMM CCn1nc(C)c(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1C ZINC000825807305 1447284351 /nfs/dbraw/zinc/28/43/51/1447284351.db2.gz PTMLFYZMYOKIGT-UHFFFAOYSA-N -1 1 378.362 3.165 20 30 GGEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2cc(Br)ccc21 ZINC000826475696 1447325242 /nfs/dbraw/zinc/32/52/42/1447325242.db2.gz NRGBBJLYGLUQGY-YVMONPNESA-N -1 1 389.234 3.349 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000819773551 1447344482 /nfs/dbraw/zinc/34/44/82/1447344482.db2.gz UFLQTRRTBODMFY-UHFFFAOYSA-N -1 1 397.870 3.193 20 30 GGEDMM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1Cl ZINC000737081662 1449015114 /nfs/dbraw/zinc/01/51/14/1449015114.db2.gz QZKCXJRZMNHGMT-FNORWQNLSA-N -1 1 383.839 3.481 20 30 GGEDMM COCCC[C@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826155183 1449024850 /nfs/dbraw/zinc/02/48/50/1449024850.db2.gz JFOHWRIBQXLULQ-SWLSCSKDSA-N -1 1 396.476 3.229 20 30 GGEDMM COc1cc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1OC ZINC000821708467 1449044573 /nfs/dbraw/zinc/04/45/73/1449044573.db2.gz QKANWCLCLGUPRD-FPLPWBNLSA-N -1 1 393.447 3.145 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(N2CCCCC2)cc1 ZINC000737806004 1449045272 /nfs/dbraw/zinc/04/52/72/1449045272.db2.gz KKNOKNRSVBSBBL-MDZDMXLPSA-N -1 1 399.458 3.401 20 30 GGEDMM CC1CC(C#N)(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)C1 ZINC000820643288 1449136328 /nfs/dbraw/zinc/13/63/28/1449136328.db2.gz TWSLHKFXMDQSCP-UHFFFAOYSA-N -1 1 388.431 3.324 20 30 GGEDMM C=CCN(CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1C1CCCCC1)C1CC1 ZINC000823903724 1449140013 /nfs/dbraw/zinc/14/00/13/1449140013.db2.gz IQTGXQZGOQGXFG-UHFFFAOYSA-N -1 1 397.527 3.379 20 30 GGEDMM N#C[C@H](C(=O)[C@@H]1C[C@H]1C1CC1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822801732 1449165519 /nfs/dbraw/zinc/16/55/19/1449165519.db2.gz NHJWPUDSKFJMKZ-RRFJBIMHSA-N -1 1 376.445 3.213 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccccc2OC(F)F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201988 1449194761 /nfs/dbraw/zinc/19/47/61/1449194761.db2.gz IIXFWCABDPPZJK-CMDGGOBGSA-N -1 1 385.374 3.420 20 30 GGEDMM N#Cc1ccc(NC(=O)[C@H](Oc2ccccc2)c2ccccc2)cc1-c1nnn[n-]1 ZINC000737717181 1449207530 /nfs/dbraw/zinc/20/75/30/1449207530.db2.gz AOBVUGPKVMMFQA-HXUWFJFHSA-N -1 1 396.410 3.497 20 30 GGEDMM COc1cc2c(cc1C=C1CCc3cc(-c4nnn[n-]4)ccc3C1=O)O[C@H](C)C2 ZINC000821728370 1449311155 /nfs/dbraw/zinc/31/11/55/1449311155.db2.gz VGAWPEYLDWAEJP-ZMTLZGASSA-N -1 1 388.427 3.411 20 30 GGEDMM Cc1csc([C@@H](C#N)C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826319958 1449319744 /nfs/dbraw/zinc/31/97/44/1449319744.db2.gz APABPVUHKHDQSF-JTQLQIEISA-N -1 1 390.881 3.254 20 30 GGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(F)(F)F)[nH]c1=O ZINC000822922825 1449348222 /nfs/dbraw/zinc/34/82/22/1449348222.db2.gz KILLLYAMTKOBEQ-HWKANZROSA-N -1 1 379.273 3.021 20 30 GGEDMM Cn1cc(C(=O)C=Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)cn1 ZINC000737603399 1449355171 /nfs/dbraw/zinc/35/51/71/1449355171.db2.gz PVGGLBHLYPZCTR-KTKRTIGZSA-N -1 1 386.415 3.075 20 30 GGEDMM C#CCN(CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1CCCC1 ZINC000819698365 1449382291 /nfs/dbraw/zinc/38/22/91/1449382291.db2.gz XTNWVUMQTQUECJ-UHFFFAOYSA-N -1 1 398.536 3.013 20 30 GGEDMM Cc1cc(C(=O)N(CCC#N)CC2CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737226461 1449387165 /nfs/dbraw/zinc/38/71/65/1449387165.db2.gz ABHMKLPWGBKNQD-UHFFFAOYSA-N -1 1 389.463 3.040 20 30 GGEDMM C=CCn1c(SCc2ccc(F)c(-c3nnn[n-]3)c2)nnc1-c1cccnc1 ZINC000819765796 1449411420 /nfs/dbraw/zinc/41/14/20/1449411420.db2.gz ROXWUKNUKWKRAD-UHFFFAOYSA-N -1 1 394.439 3.138 20 30 GGEDMM S=c1[nH]nc(-c2cccc(Cl)c2)n1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823737161 1449418603 /nfs/dbraw/zinc/41/86/03/1449418603.db2.gz BEFMBZXCWRSFMT-UHFFFAOYSA-N -1 1 388.869 3.011 20 30 GGEDMM S=c1[nH]nc(-c2cccc(Cl)c2)n1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823737161 1449418608 /nfs/dbraw/zinc/41/86/08/1449418608.db2.gz BEFMBZXCWRSFMT-UHFFFAOYSA-N -1 1 388.869 3.011 20 30 GGEDMM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000822233679 1449436929 /nfs/dbraw/zinc/43/69/29/1449436929.db2.gz SSNGMACDGDFCEW-OALUTQOASA-N -1 1 388.431 3.153 20 30 GGEDMM N#Cc1ccc(F)c(CNc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)c1 ZINC000826385395 1449456778 /nfs/dbraw/zinc/45/67/78/1449456778.db2.gz KCJTXFFCANEDGT-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM Cc1cccnc1CC(N=Nc1oc(C(C)C)nc1-c1nnn[n-]1)C(F)(F)F ZINC000822370009 1449466457 /nfs/dbraw/zinc/46/64/57/1449466457.db2.gz RFBBDTYEXATSAB-UHFFFAOYSA-N -1 1 394.361 3.254 20 30 GGEDMM C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498351 1449505493 /nfs/dbraw/zinc/50/54/93/1449505493.db2.gz FLOUANALYDPYRM-RDTXWAMCSA-N -1 1 375.436 3.272 20 30 GGEDMM C=CC[C@]1(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCN1C(=O)OC(C)(C)C ZINC000790245295 1449515233 /nfs/dbraw/zinc/51/52/33/1449515233.db2.gz KSDQYDOYHKOYOD-HXUWFJFHSA-N -1 1 398.467 3.151 20 30 GGEDMM N#Cc1cccc(NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737731205 1449517104 /nfs/dbraw/zinc/51/71/04/1449517104.db2.gz ZJNCIOFXPJKYPU-UHFFFAOYSA-N -1 1 386.371 3.163 20 30 GGEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400435 1449521822 /nfs/dbraw/zinc/52/18/22/1449521822.db2.gz ZADQXAASVRLPFH-VURMDHGXSA-N -1 1 378.342 3.431 20 30 GGEDMM C[C@H](CC#N)N(C)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820219148 1449521968 /nfs/dbraw/zinc/52/19/68/1449521968.db2.gz CRZOEUAWVKPYJP-CYBMUJFWSA-N -1 1 377.408 3.425 20 30 GGEDMM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)OCC1(C#N)CCCCC1 ZINC000826341033 1449524348 /nfs/dbraw/zinc/52/43/48/1449524348.db2.gz UJGOHKDDJWCKQK-UHFFFAOYSA-N -1 1 380.408 3.190 20 30 GGEDMM Cc1ccc(OCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000822263052 1449527215 /nfs/dbraw/zinc/52/72/15/1449527215.db2.gz IDWGQEXTINJUNA-UHFFFAOYSA-N -1 1 376.420 3.153 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000735420881 1449539084 /nfs/dbraw/zinc/53/90/84/1449539084.db2.gz VHNIGKFVVFCWHA-UHFFFAOYSA-N -1 1 398.810 3.257 20 30 GGEDMM FC(F)(F)c1cc(NN=Cc2cnc3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000737632594 1449583757 /nfs/dbraw/zinc/58/37/57/1449583757.db2.gz LOEPHSKAUFALFI-UHFFFAOYSA-N -1 1 384.325 3.275 20 30 GGEDMM COc1cc(C#N)ccc1Oc1ccc(Nc2nccnc2-c2nn[n-]n2)cc1 ZINC000737034298 1449613627 /nfs/dbraw/zinc/61/36/27/1449613627.db2.gz ICPXWHODPNIWQY-UHFFFAOYSA-N -1 1 386.375 3.073 20 30 GGEDMM CC(C)(C)c1n[nH]cc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735656066 1449617864 /nfs/dbraw/zinc/61/78/64/1449617864.db2.gz IEDPHSYPKBXTGZ-UHFFFAOYSA-N -1 1 378.362 3.352 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc(N3CCCCC3)cc2)n1 ZINC000826350152 1449620161 /nfs/dbraw/zinc/62/01/61/1449620161.db2.gz KDTIEQBDDZLREI-UHFFFAOYSA-N -1 1 382.859 3.351 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC(Cc2ccccc2)C(F)F)o1 ZINC000824135807 1449628978 /nfs/dbraw/zinc/62/89/78/1449628978.db2.gz IWRGXARDMRHXJX-UHFFFAOYSA-N -1 1 375.383 3.428 20 30 GGEDMM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)NC[C@@H](C)C#N ZINC000822211943 1449631694 /nfs/dbraw/zinc/63/16/94/1449631694.db2.gz UXEMCMKXIBLZAX-ZDUSSCGKSA-N -1 1 391.435 3.035 20 30 GGEDMM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000822801076 1449638820 /nfs/dbraw/zinc/63/88/20/1449638820.db2.gz DONQOGUQFWSQLB-BBRMVZONSA-N -1 1 392.394 3.220 20 30 GGEDMM COc1ccc2c(c1)CC(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)CC2 ZINC000826212115 1449658264 /nfs/dbraw/zinc/65/82/64/1449658264.db2.gz HCZFQFSFBQTNNW-UHFFFAOYSA-N -1 1 381.440 3.019 20 30 GGEDMM C#Cc1ccc(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000735389702 1449664011 /nfs/dbraw/zinc/66/40/11/1449664011.db2.gz GYVTWQRQCQKAEB-UHFFFAOYSA-N -1 1 381.395 3.267 20 30 GGEDMM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000822649631 1449691475 /nfs/dbraw/zinc/69/14/75/1449691475.db2.gz GKPQSXAXGYCNKL-GOSISDBHSA-N -1 1 383.415 3.113 20 30 GGEDMM C#CCCCCCC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000823840992 1449700686 /nfs/dbraw/zinc/70/06/86/1449700686.db2.gz HKTHHCZBIZRVEZ-UHFFFAOYSA-N -1 1 377.452 3.191 20 30 GGEDMM N#Cc1cc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)ccc1-c1nnn[n-]1 ZINC000737709258 1449703519 /nfs/dbraw/zinc/70/35/19/1449703519.db2.gz MBXUZQGMJWKRNK-UHFFFAOYSA-N -1 1 377.795 3.054 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820847803 1449723749 /nfs/dbraw/zinc/72/37/49/1449723749.db2.gz MLTCCMHMDOFTAU-FQEVSTJZSA-N -1 1 376.420 3.390 20 30 GGEDMM C=CCCOCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000823899439 1449743628 /nfs/dbraw/zinc/74/36/28/1449743628.db2.gz WFAJLPOCYOGQML-UHFFFAOYSA-N -1 1 395.488 3.340 20 30 GGEDMM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)sc2nccc(C)c12 ZINC000737446318 1449744810 /nfs/dbraw/zinc/74/48/10/1449744810.db2.gz VNUAVJGAAZCMHP-UHFFFAOYSA-N -1 1 375.417 3.217 20 30 GGEDMM N#Cc1cc(NC(=O)CCCOc2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC000737706790 1449752782 /nfs/dbraw/zinc/75/27/82/1449752782.db2.gz ZRKUYFPUBKTFOJ-UHFFFAOYSA-N -1 1 382.811 3.189 20 30 GGEDMM N#C[C@H](C(=O)Nc1ccccc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826378975 1449794783 /nfs/dbraw/zinc/79/47/83/1449794783.db2.gz GEICAVWIHRZDDS-OAHLLOKOSA-N -1 1 387.428 3.236 20 30 GGEDMM C[C@](C#N)(NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735505091 1449845688 /nfs/dbraw/zinc/84/56/88/1449845688.db2.gz SCBSDFXVUNSOJX-LJQANCHMSA-N -1 1 384.509 3.079 20 30 GGEDMM COCCOc1cccc(F)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821693496 1449887088 /nfs/dbraw/zinc/88/70/88/1449887088.db2.gz BASCUEBZHXNZFI-BQYQJAHWSA-N -1 1 386.358 3.066 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1-c1ccc(C#N)cc1 ZINC000822015092 1449887234 /nfs/dbraw/zinc/88/72/34/1449887234.db2.gz CCYIYPOLXZDBMH-VOTSOKGWSA-N -1 1 387.428 3.190 20 30 GGEDMM COCCC[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826155182 1449890891 /nfs/dbraw/zinc/89/08/91/1449890891.db2.gz JFOHWRIBQXLULQ-IUODEOHRSA-N -1 1 396.476 3.229 20 30 GGEDMM N#Cc1cccc(COc2cccc(NCc3ccnc(-c4nnn[n-]4)c3)c2)c1 ZINC000826386818 1449972754 /nfs/dbraw/zinc/97/27/54/1449972754.db2.gz UEZKEFSQVKFWEB-UHFFFAOYSA-N -1 1 383.415 3.324 20 30 GGEDMM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819765022 1449994985 /nfs/dbraw/zinc/99/49/85/1449994985.db2.gz MGPHKCPACSCQKJ-FLIBITNWSA-N -1 1 396.357 3.382 20 30 GGEDMM CCN(C(=O)c1ncc(C#N)cc1Cl)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160699 1450133849 /nfs/dbraw/zinc/13/38/49/1450133849.db2.gz OURAFDPHNJHRDG-NSHDSACASA-N -1 1 381.827 3.010 20 30 GGEDMM C=CCN(CCc1ccccc1)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000819743907 1450143103 /nfs/dbraw/zinc/14/31/03/1450143103.db2.gz SHSSVYSAAKDFLL-UHFFFAOYSA-N -1 1 396.520 3.214 20 30 GGEDMM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)S1 ZINC000826307869 1450143470 /nfs/dbraw/zinc/14/34/70/1450143470.db2.gz ZJNRYPRZUVAJOP-DHDCSXOGSA-N -1 1 380.408 3.206 20 30 GGEDMM N#Cc1ccc(OC2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)cc1 ZINC000822832504 1450224484 /nfs/dbraw/zinc/22/44/84/1450224484.db2.gz BUAAOTLJWQLKLN-UHFFFAOYSA-N -1 1 397.442 3.334 20 30 GGEDMM C#Cc1cccc(N(Cc2ccccc2)C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000819709921 1450248062 /nfs/dbraw/zinc/24/80/62/1450248062.db2.gz UHJMSFITAYZHLM-UHFFFAOYSA-N -1 1 382.427 3.034 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000826359817 1450263034 /nfs/dbraw/zinc/26/30/34/1450263034.db2.gz RCBFSFIVABEROZ-CLFYSBASSA-N -1 1 399.389 3.174 20 30 GGEDMM C=CCc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(OC)c1 ZINC000819759160 1450270604 /nfs/dbraw/zinc/27/06/04/1450270604.db2.gz PGWCSCLRZOEVQG-UHFFFAOYSA-N -1 1 390.403 3.233 20 30 GGEDMM Cc1c(C(=O)C=Cc2cccc(-n3cccn3)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822014883 1450310455 /nfs/dbraw/zinc/31/04/55/1450310455.db2.gz AWBTZHVYHQIQRB-HJWRWDBZSA-N -1 1 385.431 3.005 20 30 GGEDMM C=C(C)COCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819722519 1450323263 /nfs/dbraw/zinc/32/32/63/1450323263.db2.gz LIFHYKWYZKWXKA-UHFFFAOYSA-N -1 1 395.488 3.340 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2cn(C)nc2C2CCCCC2)o1 ZINC000824280198 1450335975 /nfs/dbraw/zinc/33/59/75/1450335975.db2.gz GMSORVQPQDTQDC-UHFFFAOYSA-N -1 1 397.487 3.280 20 30 GGEDMM C[C@@H](NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824491669 1450339334 /nfs/dbraw/zinc/33/93/34/1450339334.db2.gz WHWJQLLCUBAEEK-OAHLLOKOSA-N -1 1 399.458 3.298 20 30 GGEDMM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CO2 ZINC000821134582 1450340022 /nfs/dbraw/zinc/34/00/22/1450340022.db2.gz ZAHKPDTXGRDPSC-ZSOIEALJSA-N -1 1 380.379 3.453 20 30 GGEDMM N#CCOc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822813967 1450343483 /nfs/dbraw/zinc/34/34/83/1450343483.db2.gz AAVMFHMLODHPAV-UHFFFAOYSA-N -1 1 388.309 3.040 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000737203320 1450361526 /nfs/dbraw/zinc/36/15/26/1450361526.db2.gz SYQCPSCSAGPYQY-VMPITWQZSA-N -1 1 394.347 3.196 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(Br)cn1 ZINC000735426034 1450384027 /nfs/dbraw/zinc/38/40/27/1450384027.db2.gz JGEZKKOJPGRPDO-UHFFFAOYSA-N -1 1 385.269 3.212 20 30 GGEDMM N#Cc1ccc(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)cc1-c1nnn[n-]1 ZINC000826385546 1450413259 /nfs/dbraw/zinc/41/32/59/1450413259.db2.gz QKUAZIVCROXWHD-UHFFFAOYSA-N -1 1 378.823 3.353 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cncnc1-c1ccccc1 ZINC000823915412 1450421952 /nfs/dbraw/zinc/42/19/52/1450421952.db2.gz XFZGQXFOWZDRLS-UHFFFAOYSA-N -1 1 397.442 3.152 20 30 GGEDMM Cc1ccc(OC(F)F)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000822259228 1450438844 /nfs/dbraw/zinc/43/88/44/1450438844.db2.gz QFQFGULOTHBGSR-SNAWJCMRSA-N -1 1 396.357 3.320 20 30 GGEDMM N#Cc1ccccc1N1CCCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000737727297 1450446699 /nfs/dbraw/zinc/44/66/99/1450446699.db2.gz IVVFYEYEDJJSQE-UHFFFAOYSA-N -1 1 379.855 3.108 20 30 GGEDMM C=CCCC(=O)COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823888359 1450458582 /nfs/dbraw/zinc/45/85/82/1450458582.db2.gz KELWZMKWJWLYFN-UHFFFAOYSA-N -1 1 392.415 3.138 20 30 GGEDMM C=CCc1cc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OC ZINC000735443457 1450463267 /nfs/dbraw/zinc/46/32/67/1450463267.db2.gz VXBFBZKKJVDOOR-UHFFFAOYSA-N -1 1 393.447 3.279 20 30 GGEDMM CCC(CC)CN(CCC#N)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736338591 1450520873 /nfs/dbraw/zinc/52/08/73/1450520873.db2.gz YKZGRCMFJSAAST-UHFFFAOYSA-N -1 1 393.499 3.043 20 30 GGEDMM COC(=O)CCCC[C@@H](C)C(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000821660051 945783446 /nfs/dbraw/zinc/78/34/46/945783446.db2.gz DPCAVNKWTYKJGS-LLVKDONJSA-N -1 1 377.449 3.135 20 30 GGEDMM C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-c3nnn[n-]3)o2)CC1 ZINC001573316016 947262369 /nfs/dbraw/zinc/26/23/69/947262369.db2.gz RVCJEENGFGFNJV-UHFFFAOYSA-N -1 1 396.499 3.091 20 30 GGEDMM C=CC1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-c3nn[n-]n3)o2)CC1 ZINC001573316016 947262374 /nfs/dbraw/zinc/26/23/74/947262374.db2.gz RVCJEENGFGFNJV-UHFFFAOYSA-N -1 1 396.499 3.091 20 30 GGEDMM C=CCC[C@H]1CCCN1CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)[O-] ZINC001602719179 971382839 /nfs/dbraw/zinc/38/28/39/971382839.db2.gz UUSUGZWBXRIMKI-ZDUSSCGKSA-N -1 1 394.493 3.301 20 30 GGEDMM C=CCN(CC1CCCCC1)S(=O)(=O)c1c(C)cc(F)cc1-c1nn[n-]n1 ZINC001573342496 947540711 /nfs/dbraw/zinc/54/07/11/947540711.db2.gz ZRPCZOMOFYNNDA-UHFFFAOYSA-N -1 1 393.488 3.071 20 30 GGEDMM Cc1cc(CN=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc2cccnc12 ZINC000826266239 947767644 /nfs/dbraw/zinc/76/76/44/947767644.db2.gz IDVUHKOEXVNENX-UHFFFAOYSA-N -1 1 376.424 3.455 20 30 GGEDMM N#Cc1ccc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C(F)(F)F ZINC000826386100 948188816 /nfs/dbraw/zinc/18/88/16/948188816.db2.gz OXIVBJVPOFIUQF-UHFFFAOYSA-N -1 1 393.310 3.212 20 30 GGEDMM N#Cc1ccc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1C(F)(F)F ZINC000826386100 948188822 /nfs/dbraw/zinc/18/88/22/948188822.db2.gz OXIVBJVPOFIUQF-UHFFFAOYSA-N -1 1 393.310 3.212 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H](CCC(=O)[O-])C2)ccc1Cl ZINC001594311977 958040506 /nfs/dbraw/zinc/04/05/06/958040506.db2.gz SDAZHWWZVTZREL-MRXNPFEDSA-N -1 1 391.899 3.472 20 30 GGEDMM C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588544998 958990852 /nfs/dbraw/zinc/99/08/52/958990852.db2.gz GDRKAGZUFWSUDH-HOTGVXAUSA-N -1 1 375.444 3.038 20 30 GGEDMM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C#N ZINC001594253140 959629493 /nfs/dbraw/zinc/62/94/93/959629493.db2.gz QURGISPLWMVRRN-RBUKOAKNSA-N -1 1 398.507 3.073 20 30 GGEDMM N#Cc1c(NC(=O)CN[C@@H](Cc2ccccc2)C(=O)[O-])sc2c1CCCCC2 ZINC001605591348 973887613 /nfs/dbraw/zinc/88/76/13/973887613.db2.gz XMTDNBJWGDVYLU-KRWDZBQOSA-N -1 1 397.500 3.113 20 30 GGEDMM CC(C)Oc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1C#N ZINC001591788465 975974351 /nfs/dbraw/zinc/97/43/51/975974351.db2.gz JZJNXGHSIWFUAM-UHFFFAOYSA-N -1 1 394.836 3.498 20 30 GGEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000766363289 978724484 /nfs/dbraw/zinc/72/44/84/978724484.db2.gz XWUPEAWKKQFQMX-UHFFFAOYSA-N -1 1 382.397 3.219 20 30 GGEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000832935307 979057203 /nfs/dbraw/zinc/05/72/03/979057203.db2.gz ZNMWLLGENPGXGE-DYESRHJHSA-N -1 1 380.444 3.198 20 30 GGEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@H]2CCOC2)c1 ZINC000832935114 979057403 /nfs/dbraw/zinc/05/74/03/979057403.db2.gz VGGLSQVGALSRAO-LAUBAEHRSA-N -1 1 380.444 3.198 20 30 GGEDMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@H]2CCOC2)c1 ZINC000832935312 979057617 /nfs/dbraw/zinc/05/76/17/979057617.db2.gz ZNMWLLGENPGXGE-UWJYYQICSA-N -1 1 380.444 3.198 20 30 GGEDMM C#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc1 ZINC001588516905 983563241 /nfs/dbraw/zinc/56/32/41/983563241.db2.gz HLRYXAPKWGKKNX-MRXNPFEDSA-N -1 1 383.473 3.297 20 30 GGEDMM C=C(C)C[C@@H](NCc1csc(N(C(C)=O)c2ccc(F)cc2)n1)C(=O)[O-] ZINC001588553661 983628476 /nfs/dbraw/zinc/62/84/76/983628476.db2.gz PCQCYBKJDITECF-MRXNPFEDSA-N -1 1 377.441 3.476 20 30 GGEDMM C=C(C)C[C@@H](NCc1ccc(N2CCC(C(=O)OC(C)(C)C)CC2)o1)C(=O)[O-] ZINC001588553912 983629055 /nfs/dbraw/zinc/62/90/55/983629055.db2.gz VAHJZWOOPYZFBH-QGZVFWFLSA-N -1 1 392.496 3.347 20 30 GGEDMM C=CCN(CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1ccc(Cl)s1 ZINC001588828904 984310207 /nfs/dbraw/zinc/31/02/07/984310207.db2.gz SMSCOASIEZNCEY-DHDCSXOGSA-N -1 1 386.926 3.281 20 30 GGEDMM C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3C)[nH]n2)c1C ZINC001588912681 984552357 /nfs/dbraw/zinc/55/23/57/984552357.db2.gz MSWXCNJXAPDCPG-UHFFFAOYSA-N -1 1 379.420 3.335 20 30 GGEDMM C[C@@H](C(=O)[O-])n1cccc1C=NNc1ccc([N+](=O)[O-])cc1Br ZINC001589539692 987237087 /nfs/dbraw/zinc/23/70/87/987237087.db2.gz KHDPPYYGOXLZPW-VIFPVBQESA-N -1 1 381.186 3.250 20 30 GGEDMM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC001597785538 989304338 /nfs/dbraw/zinc/30/43/38/989304338.db2.gz KMJWNYZKIFYDPU-UHFFFAOYSA-N -1 1 388.323 3.231 20 30 GGEDMM CC(C)(C)OC(=O)NC[C@@H](NCc1cccc(C(=O)[O-])c1C#N)C1CCCC1 ZINC001590155053 989462634 /nfs/dbraw/zinc/46/26/34/989462634.db2.gz WOBSVWSOXUJTHX-GOSISDBHSA-N -1 1 387.480 3.430 20 30 GGEDMM CN(Cc1cnc2ccc(C#N)cn12)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001598532782 992804420 /nfs/dbraw/zinc/80/44/20/992804420.db2.gz GXVWHZLBWQYDAV-QGZVFWFLSA-N -1 1 399.248 3.226 20 30 GGEDMM COc1cccc([C@H](C(=O)[O-])N(C)CC[C@](C#N)(C(C)=O)c2ccccc2)c1 ZINC001599646741 994436090 /nfs/dbraw/zinc/43/60/90/994436090.db2.gz FMHYXICTGAGPSD-IRLDBZIGSA-N -1 1 380.444 3.193 20 30 GGEDMM CNc1ccc(C#N)cc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001598678059 994880188 /nfs/dbraw/zinc/88/01/88/994880188.db2.gz NEWJKVUTCSZCLS-UHFFFAOYSA-N -1 1 387.442 3.314 20 30 GGEDMM COC(=O)c1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc(C(=O)[O-])c1 ZINC001598932609 997794927 /nfs/dbraw/zinc/79/49/27/997794927.db2.gz WRJFDYBGQOBEQH-UHFFFAOYSA-N -1 1 394.427 3.086 20 30 GGEDMM COc1ccc(-c2n[nH]c(S[C@H](C(=O)[O-])c3ccc(C#N)cc3)n2)c(OC)c1 ZINC001599471867 998464753 /nfs/dbraw/zinc/46/47/53/998464753.db2.gz HEAUKUQNYCEDTC-INIZCTEOSA-N -1 1 396.428 3.279 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3ccc[nH]c3=S)n2)n[n-]c1=S ZINC000030689152 212109440 /nfs/dbraw/zinc/10/94/40/212109440.db2.gz JHJTWMUXTCWMPK-UHFFFAOYSA-N -1 1 390.519 3.484 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000008294910 221035147 /nfs/dbraw/zinc/03/51/47/221035147.db2.gz NFIMZQASSXJFAE-UHFFFAOYSA-N -1 1 395.278 3.166 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1I ZINC000006315394 564222453 /nfs/dbraw/zinc/22/24/53/564222453.db2.gz HUAJTCINJSIKET-UHFFFAOYSA-N -1 1 398.225 3.272 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1Br ZINC000120330741 564315994 /nfs/dbraw/zinc/31/59/94/564315994.db2.gz XEYLCMWNTWAVNX-UHFFFAOYSA-N -1 1 396.222 3.338 20 30 GGEDMM CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000121936790 564393447 /nfs/dbraw/zinc/39/34/47/564393447.db2.gz IETLTLCGWWKQEI-UHFFFAOYSA-N -1 1 377.853 3.071 20 30 GGEDMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000121932461 564393508 /nfs/dbraw/zinc/39/35/08/564393508.db2.gz QLQHOZSXPJUYFP-UHFFFAOYSA-N -1 1 377.853 3.151 20 30 GGEDMM N#CCSCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000032647868 564404261 /nfs/dbraw/zinc/40/42/61/564404261.db2.gz JIMWYJRUFPYGSU-UHFFFAOYSA-N -1 1 395.893 3.336 20 30 GGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(I)cc2)cc1 ZINC000033906259 564414121 /nfs/dbraw/zinc/41/41/21/564414121.db2.gz NIWJVMCBBKGCOF-UHFFFAOYSA-N -1 1 398.225 3.158 20 30 GGEDMM O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1n[n-]c(C(F)(F)F)n1 ZINC000045572162 564486289 /nfs/dbraw/zinc/48/62/89/564486289.db2.gz MAHOGDXUAVTTPC-UHFFFAOYSA-N -1 1 382.129 3.148 20 30 GGEDMM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000126270292 564542961 /nfs/dbraw/zinc/54/29/61/564542961.db2.gz PNSQEDVIUVFHPJ-SNVBAGLBSA-N -1 1 383.670 3.458 20 30 GGEDMM CCc1cc(C#N)c([N-]C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)s1 ZINC000126816073 564563955 /nfs/dbraw/zinc/56/39/55/564563955.db2.gz PROYBZGORJHKQJ-UHFFFAOYSA-N -1 1 381.479 3.104 20 30 GGEDMM C[C@@H](C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000068926093 564829688 /nfs/dbraw/zinc/82/96/88/564829688.db2.gz GGPPLVMLBSFZGT-JTQLQIEISA-N -1 1 398.271 3.436 20 30 GGEDMM COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000135374171 564829829 /nfs/dbraw/zinc/82/98/29/564829829.db2.gz OOJNIEKPQPIOTA-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM CCc1nnsc1C(=O)[N-]c1nnc(SCc2ccc(C#N)cc2)s1 ZINC000079289822 564867115 /nfs/dbraw/zinc/86/71/15/564867115.db2.gz UAXHZHUWMQXPJR-UHFFFAOYSA-N -1 1 388.503 3.368 20 30 GGEDMM CCOc1cc(-c2noc(-c3ccc(C#N)[nH]3)n2)cc(Br)c1[O-] ZINC000151536129 564925536 /nfs/dbraw/zinc/92/55/36/564925536.db2.gz FEYONMKMKGMPMH-UHFFFAOYSA-N -1 1 375.182 3.470 20 30 GGEDMM CC[C@H](C#N)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000102351783 564928480 /nfs/dbraw/zinc/92/84/80/564928480.db2.gz RSTCONINSDTUIQ-CQSZACIVSA-N -1 1 377.853 3.173 20 30 GGEDMM CC[C@H](C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000102351207 564928527 /nfs/dbraw/zinc/92/85/27/564928527.db2.gz ZPFNOYSYSVUZOY-CQSZACIVSA-N -1 1 377.853 3.173 20 30 GGEDMM C=C[C@H](C)[N-]S(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000152741012 564969770 /nfs/dbraw/zinc/96/97/70/564969770.db2.gz WXZXBNWAWJMORU-LURJTMIESA-N -1 1 387.068 3.204 20 30 GGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000153962959 565019315 /nfs/dbraw/zinc/01/93/15/565019315.db2.gz OBYIWEVKXGIJOG-UHFFFAOYSA-N -1 1 394.250 3.080 20 30 GGEDMM N#CCc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1 ZINC000153972793 565020520 /nfs/dbraw/zinc/02/05/20/565020520.db2.gz COITUSFCWRNGAU-UHFFFAOYSA-N -1 1 376.235 3.188 20 30 GGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000184852712 565161573 /nfs/dbraw/zinc/16/15/73/565161573.db2.gz YSFYRYVLYVBNIA-UHFFFAOYSA-N -1 1 385.214 3.269 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(F)cc1F ZINC000186930186 565296522 /nfs/dbraw/zinc/29/65/22/565296522.db2.gz KUBRFMRELKXULF-UHFFFAOYSA-N -1 1 386.763 3.077 20 30 GGEDMM N#Cc1cccc([C@H]2CN(C(=O)c3ccc(Br)cc3[O-])CCO2)c1 ZINC000374357810 565333667 /nfs/dbraw/zinc/33/36/67/565333667.db2.gz LFZHTMHLHMKCNZ-QGZVFWFLSA-N -1 1 387.233 3.240 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(Br)c3)C2)cc1[O-] ZINC000187785836 565354962 /nfs/dbraw/zinc/35/49/62/565354962.db2.gz TUQLEPJVQBMQHK-QGZVFWFLSA-N -1 1 387.233 3.240 20 30 GGEDMM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)o1 ZINC000297627350 565380226 /nfs/dbraw/zinc/38/02/26/565380226.db2.gz BUZPQWJDZBDAHG-UHFFFAOYSA-N -1 1 381.479 3.013 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cc1[O-] ZINC000188387062 565399104 /nfs/dbraw/zinc/39/91/04/565399104.db2.gz DFQVRCQATAEIBU-CQSZACIVSA-N -1 1 386.249 3.035 20 30 GGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(Br)c1 ZINC000318989062 565598130 /nfs/dbraw/zinc/59/81/30/565598130.db2.gz HATKHHGORIFQRN-UHFFFAOYSA-N -1 1 376.235 3.302 20 30 GGEDMM COc1cc(Br)cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000319147739 565598565 /nfs/dbraw/zinc/59/85/65/565598565.db2.gz VTHSUKKLZCOZLN-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM Cc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1I ZINC000410029055 565659302 /nfs/dbraw/zinc/65/93/02/565659302.db2.gz KVJFVDGVCOKOSF-UHFFFAOYSA-N -1 1 392.196 3.107 20 30 GGEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000192128622 565661479 /nfs/dbraw/zinc/66/14/79/565661479.db2.gz MTASBTXXJLKWQQ-GFCCVEGCSA-N -1 1 398.893 3.135 20 30 GGEDMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)[C@@H]1CCCOC1 ZINC000330854553 565725989 /nfs/dbraw/zinc/72/59/89/565725989.db2.gz HFLAZKYMWWZLDJ-GXSJLCMTSA-N -1 1 375.206 3.117 20 30 GGEDMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)[C@H]1CCCOC1 ZINC000330854554 565726460 /nfs/dbraw/zinc/72/64/60/565726460.db2.gz HFLAZKYMWWZLDJ-ONGXEEELSA-N -1 1 375.206 3.117 20 30 GGEDMM NC(=O)C1(CNC(=O)c2ccc(I)c([O-])c2)CCCC1 ZINC000330875994 565727579 /nfs/dbraw/zinc/72/75/79/565727579.db2.gz UXCNOFMVHHCPBO-UHFFFAOYSA-N -1 1 388.205 3.397 20 30 GGEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1 ZINC000175915615 565733034 /nfs/dbraw/zinc/73/30/34/565733034.db2.gz KSNDQLFYKNZDPP-UHFFFAOYSA-N -1 1 379.235 3.056 20 30 GGEDMM N#CCc1ccc(NC(=O)c2cc(I)ccc2[O-])cc1 ZINC000176334177 565766094 /nfs/dbraw/zinc/76/60/94/565766094.db2.gz QZMRNVCPPAMPKO-UHFFFAOYSA-N -1 1 378.169 3.315 20 30 GGEDMM COc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1Br ZINC000176683587 565794294 /nfs/dbraw/zinc/79/42/94/565794294.db2.gz ZXMGFXKIAHBGSX-UHFFFAOYSA-N -1 1 381.251 3.325 20 30 GGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(Br)c1 ZINC000229583396 565926104 /nfs/dbraw/zinc/92/61/04/565926104.db2.gz CJODVVJXFNHYGU-QMMMGPOBSA-N -1 1 387.177 3.392 20 30 GGEDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000180175454 566040130 /nfs/dbraw/zinc/04/01/30/566040130.db2.gz YCHATHPJCJRQLR-UHFFFAOYSA-N -1 1 380.853 3.428 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1Cl ZINC000180176128 566040435 /nfs/dbraw/zinc/04/04/35/566040435.db2.gz VSFBLNBJPJNGER-UHFFFAOYSA-N -1 1 375.837 3.287 20 30 GGEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(Br)ccc3[O-])CCO2)c1 ZINC000367168768 566188506 /nfs/dbraw/zinc/18/85/06/566188506.db2.gz WNEOAJDNSLMDEY-KRWDZBQOSA-N -1 1 387.233 3.240 20 30 GGEDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(F)cc1F ZINC000183004293 566234215 /nfs/dbraw/zinc/23/42/15/566234215.db2.gz ZXKWYQPRYWGDBG-UHFFFAOYSA-N -1 1 386.763 3.077 20 30 GGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(F)c(C(=O)OC(C)(C)C)c1Cl ZINC000600664697 566356285 /nfs/dbraw/zinc/35/62/85/566356285.db2.gz FWKVQYVOJSVIAS-VIFPVBQESA-N -1 1 376.837 3.478 20 30 GGEDMM COc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)ccc(Cl)c1C(=O)[O-] ZINC000463800752 566434971 /nfs/dbraw/zinc/43/49/71/566434971.db2.gz QOMYWGQKMGLKAX-UHFFFAOYSA-N -1 1 380.809 3.028 20 30 GGEDMM N#Cc1cccc([N-]S(=O)(=O)c2cnn(C3CCCC3)c2)c1Br ZINC000601977099 566435769 /nfs/dbraw/zinc/43/57/69/566435769.db2.gz LGAAPXOXGBGWSC-UHFFFAOYSA-N -1 1 395.282 3.433 20 30 GGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](C1CCCCC1)C(F)(F)F ZINC000464214924 566456238 /nfs/dbraw/zinc/45/62/38/566456238.db2.gz YRDWLKQIFIUQKZ-OAHLLOKOSA-N -1 1 376.400 3.356 20 30 GGEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000558436843 566473014 /nfs/dbraw/zinc/47/30/14/566473014.db2.gz UCSSPLLKYDVKHY-ZDUSSCGKSA-N -1 1 393.292 3.067 20 30 GGEDMM COC(=O)[C@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1ccc(Cl)cc1Cl ZINC000558436842 566473580 /nfs/dbraw/zinc/47/35/80/566473580.db2.gz UCSSPLLKYDVKHY-CYBMUJFWSA-N -1 1 393.292 3.067 20 30 GGEDMM N#Cc1ccc(OC2CCC([N-]S(=O)(=O)c3sccc3Cl)CC2)nc1 ZINC000578715931 566547447 /nfs/dbraw/zinc/54/74/47/566547447.db2.gz TYLQOUFMCBDVOD-UHFFFAOYSA-N -1 1 397.909 3.337 20 30 GGEDMM Cc1cccc(S(=O)(=O)Nc2cc(Br)cc(C(=O)[O-])c2)c1C#N ZINC000512724216 566553681 /nfs/dbraw/zinc/55/36/81/566553681.db2.gz ADSUDIGUTKYFOV-UHFFFAOYSA-N -1 1 395.234 3.128 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CSc3ccc(Br)cc32)o1 ZINC000579038760 566575109 /nfs/dbraw/zinc/57/51/09/566575109.db2.gz SFZGRFUZSLIASR-NSHDSACASA-N -1 1 385.264 3.039 20 30 GGEDMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000486502716 566594755 /nfs/dbraw/zinc/59/47/55/566594755.db2.gz WDXIYFBWSAOUIT-UHFFFAOYSA-N -1 1 385.228 3.452 20 30 GGEDMM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Br)C1 ZINC000425188039 566612932 /nfs/dbraw/zinc/61/29/32/566612932.db2.gz HVGNVAQMVWHILD-IONNQARKSA-N -1 1 381.654 3.212 20 30 GGEDMM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(Br)cc1 ZINC000561485401 566709598 /nfs/dbraw/zinc/70/95/98/566709598.db2.gz XYZCBBLJSDJIEF-UHFFFAOYSA-N -1 1 383.267 3.170 20 30 GGEDMM N#Cc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1[O-] ZINC000468620002 566715556 /nfs/dbraw/zinc/71/55/56/566715556.db2.gz QYDAFCGGWVYLFQ-UHFFFAOYSA-N -1 1 399.204 3.006 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1F ZINC000427196944 566755739 /nfs/dbraw/zinc/75/57/39/566755739.db2.gz NZUNCXYIQIIMFM-UHFFFAOYSA-N -1 1 376.800 3.337 20 30 GGEDMM COC(=O)c1c(F)ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1F ZINC000562231205 566771530 /nfs/dbraw/zinc/77/15/30/566771530.db2.gz LONPRRWWHJPRLJ-UHFFFAOYSA-N -1 1 386.763 3.077 20 30 GGEDMM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(CC#N)cc2Cl)o1 ZINC000451242143 566781895 /nfs/dbraw/zinc/78/18/95/566781895.db2.gz MPOPFXSFJIQNNM-OAHLLOKOSA-N -1 1 382.869 3.227 20 30 GGEDMM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 ZINC000562385998 566786818 /nfs/dbraw/zinc/78/68/18/566786818.db2.gz YKEBDCUIDKDGNC-UHFFFAOYSA-N -1 1 384.082 3.338 20 30 GGEDMM C=CCCC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F ZINC000451371734 566805594 /nfs/dbraw/zinc/80/55/94/566805594.db2.gz WPPWHUZIJXEOOU-CYBMUJFWSA-N -1 1 392.518 3.001 20 30 GGEDMM N#CCCSc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000489734008 566806873 /nfs/dbraw/zinc/80/68/73/566806873.db2.gz HNFCVYBVYSXTAS-UHFFFAOYSA-N -1 1 380.422 3.330 20 30 GGEDMM COC(=O)[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)c1ccc(Cl)cc1Cl ZINC000451391070 566809776 /nfs/dbraw/zinc/80/97/76/566809776.db2.gz FCLBQUYHIVHHLC-ZDUSSCGKSA-N -1 1 393.292 3.067 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)cc1Br ZINC000451496845 566828777 /nfs/dbraw/zinc/82/87/77/566828777.db2.gz KNLBCTGKMWZLJT-QMMMGPOBSA-N -1 1 397.216 3.174 20 30 GGEDMM Cc1cc(NS(=O)(=O)c2cccc(Br)c2C#N)ccc1C(=O)[O-] ZINC000563498083 566889060 /nfs/dbraw/zinc/88/90/60/566889060.db2.gz LXFGTFFOUKLRGU-UHFFFAOYSA-N -1 1 395.234 3.128 20 30 GGEDMM C=C(CC)C[N-]S(=O)(=O)c1c(Br)cc2[nH]c(=O)oc2c1Cl ZINC000452046085 566926494 /nfs/dbraw/zinc/92/64/94/566926494.db2.gz VDCIOMLRUHJCGM-UHFFFAOYSA-N -1 1 395.662 3.194 20 30 GGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)c1 ZINC000519673239 566958324 /nfs/dbraw/zinc/95/83/24/566958324.db2.gz LOCUCUNXHBYELS-UHFFFAOYSA-N -1 1 381.837 3.492 20 30 GGEDMM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3occc32)cc1Br ZINC000564244396 566958435 /nfs/dbraw/zinc/95/84/35/566958435.db2.gz JGMGFJBNNVHMOX-CYBMUJFWSA-N -1 1 399.241 3.409 20 30 GGEDMM C=CCCOCC[N-]S(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471658089 566969203 /nfs/dbraw/zinc/96/92/03/566969203.db2.gz KCHWMBAIFABKMD-UHFFFAOYSA-N -1 1 386.670 3.113 20 30 GGEDMM N#Cc1cc(Br)cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)c1 ZINC000544841900 567001217 /nfs/dbraw/zinc/00/12/17/567001217.db2.gz UIUCSAWHAPAYKX-UHFFFAOYSA-N -1 1 383.189 3.084 20 30 GGEDMM CC(C)(C)CN(CCC#N)C(=O)c1ccc(I)c([O-])c1 ZINC000544895728 567004315 /nfs/dbraw/zinc/00/43/15/567004315.db2.gz NMQRRLBFZHYRDN-UHFFFAOYSA-N -1 1 386.233 3.399 20 30 GGEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2Cl)o1 ZINC000430348341 567010964 /nfs/dbraw/zinc/01/09/64/567010964.db2.gz AAOZRIGWKBLROK-UHFFFAOYSA-N -1 1 381.841 3.134 20 30 GGEDMM C[C@@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000584855426 567075418 /nfs/dbraw/zinc/07/54/18/567075418.db2.gz BUOSPQFEZDBDFX-NSHDSACASA-N -1 1 383.267 3.213 20 30 GGEDMM C[C@H](CCc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000584855425 567076325 /nfs/dbraw/zinc/07/63/25/567076325.db2.gz BUOSPQFEZDBDFX-LLVKDONJSA-N -1 1 383.267 3.213 20 30 GGEDMM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000522030315 567094997 /nfs/dbraw/zinc/09/49/97/567094997.db2.gz HTUSJULYCVXPJC-IINYFYTJSA-N -1 1 380.363 3.475 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N2CCO[C@H](c3ccc(Br)cc3)C2)c1 ZINC000614298110 567101928 /nfs/dbraw/zinc/10/19/28/567101928.db2.gz MOEKNGWJIRYALV-KRWDZBQOSA-N -1 1 387.233 3.240 20 30 GGEDMM CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293397 567102062 /nfs/dbraw/zinc/10/20/62/567102062.db2.gz NDVLHBZKFCDGDK-UHFFFAOYSA-N -1 1 378.215 3.281 20 30 GGEDMM C=C(C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000588138676 567117205 /nfs/dbraw/zinc/11/72/05/567117205.db2.gz PZLIPZXYNIFYDR-UHFFFAOYSA-N -1 1 397.250 3.349 20 30 GGEDMM C=C(CNC(=O)c1ccc(I)c([O-])c1)c1ccccc1 ZINC000588776798 567138091 /nfs/dbraw/zinc/13/80/91/567138091.db2.gz HOZDEAQAMADHCV-UHFFFAOYSA-N -1 1 379.197 3.440 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3c(F)cc(Br)cc3C2)c1 ZINC000589190799 567165179 /nfs/dbraw/zinc/16/51/79/567165179.db2.gz SDUNJVTXYZDDJA-UHFFFAOYSA-N -1 1 375.197 3.364 20 30 GGEDMM CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(Br)c([O-])c1 ZINC000589527433 567182157 /nfs/dbraw/zinc/18/21/57/567182157.db2.gz ABESPJFNIAMUEE-UHFFFAOYSA-N -1 1 389.249 3.315 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1[N+](=O)[O-] ZINC000432760736 567186471 /nfs/dbraw/zinc/18/64/71/567186471.db2.gz WXBQRUKAJFYPPC-UHFFFAOYSA-N -1 1 396.222 3.338 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c(C)c1 ZINC000432766885 567186660 /nfs/dbraw/zinc/18/66/60/567186660.db2.gz FKVUNNDYWUGSTQ-UHFFFAOYSA-N -1 1 381.251 3.439 20 30 GGEDMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)c1 ZINC000432765369 567186853 /nfs/dbraw/zinc/18/68/53/567186853.db2.gz BRHNECKSCFBBFJ-UHFFFAOYSA-N -1 1 379.235 3.324 20 30 GGEDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432772961 567188260 /nfs/dbraw/zinc/18/82/60/567188260.db2.gz BGVHSDAJBXQDHT-UHFFFAOYSA-N -1 1 394.250 3.080 20 30 GGEDMM CC#CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000498574077 567188940 /nfs/dbraw/zinc/18/89/40/567188940.db2.gz IHHYZAWGYJNSNX-UHFFFAOYSA-N -1 1 376.865 3.284 20 30 GGEDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)cc1 ZINC000432776004 567189358 /nfs/dbraw/zinc/18/93/58/567189358.db2.gz LGVAOLMZGHFOAX-UHFFFAOYSA-N -1 1 379.235 3.324 20 30 GGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432778526 567190808 /nfs/dbraw/zinc/19/08/08/567190808.db2.gz ZEEPJMFMUXKBOW-UHFFFAOYSA-N -1 1 376.235 3.302 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nccnc3c2)cc1Br ZINC000432776661 567191264 /nfs/dbraw/zinc/19/12/64/567191264.db2.gz ADCNJCYCRAAFCH-UHFFFAOYSA-N -1 1 389.234 3.065 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1Br ZINC000432950634 567208134 /nfs/dbraw/zinc/20/81/34/567208134.db2.gz TTZHJOUEXYKWNV-UHFFFAOYSA-N -1 1 383.189 3.084 20 30 GGEDMM C[C@]([N-]S(=O)(=O)c1ccc(C#N)c(Br)c1)(C1CC1)C(F)(F)F ZINC000432964864 567208865 /nfs/dbraw/zinc/20/88/65/567208865.db2.gz JTJHWWFYFBHZDS-LBPRGKRZSA-N -1 1 397.216 3.330 20 30 GGEDMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000432968603 567210759 /nfs/dbraw/zinc/21/07/59/567210759.db2.gz APDCPBHCVAIREY-UHFFFAOYSA-N -1 1 391.250 3.306 20 30 GGEDMM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)[nH]n1 ZINC000432966818 567210839 /nfs/dbraw/zinc/21/08/39/567210839.db2.gz VJCSGPYRGDNUJY-UHFFFAOYSA-N -1 1 397.298 3.433 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000590518565 567230267 /nfs/dbraw/zinc/23/02/67/567230267.db2.gz JMLJNXZFRLBHBY-UHFFFAOYSA-N -1 1 378.215 3.329 20 30 GGEDMM COC(=O)c1cc(NC(=O)c2cc([O-])cc(C#N)c2)cc(Br)c1F ZINC000617799693 567337041 /nfs/dbraw/zinc/33/70/41/567337041.db2.gz CDMYTCFPIIHWJW-UHFFFAOYSA-N -1 1 393.168 3.204 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)s1 ZINC000435486159 567372070 /nfs/dbraw/zinc/37/20/70/567372070.db2.gz FAYQRQATAQDGRA-UHFFFAOYSA-N -1 1 379.207 3.461 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000477227077 567381533 /nfs/dbraw/zinc/38/15/33/567381533.db2.gz YOLUPKPSFAIYST-LBPRGKRZSA-N -1 1 376.459 3.468 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000618881720 567420739 /nfs/dbraw/zinc/42/07/39/567420739.db2.gz MRZSNVWEBBBSCU-HNNXBMFYSA-N -1 1 386.249 3.035 20 30 GGEDMM C=CCC1(NC(=O)C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000619107001 567435141 /nfs/dbraw/zinc/43/51/41/567435141.db2.gz XVFCDGDVBAFDBU-UHFFFAOYSA-N -1 1 391.320 3.277 20 30 GGEDMM N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccc(Br)cc3[O-])n2)c1 ZINC000436595935 567436341 /nfs/dbraw/zinc/43/63/41/567436341.db2.gz OAXTWQPMORLNIV-UHFFFAOYSA-N -1 1 397.232 3.346 20 30 GGEDMM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000569846600 567437240 /nfs/dbraw/zinc/43/72/40/567437240.db2.gz UOOYLANPWNAWTL-QLJPJBMISA-N -1 1 393.262 3.121 20 30 GGEDMM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000569846598 567437765 /nfs/dbraw/zinc/43/77/65/567437765.db2.gz UOOYLANPWNAWTL-MGPLVRAMSA-N -1 1 393.262 3.121 20 30 GGEDMM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(Br)ccc1[O-] ZINC000436628914 567438913 /nfs/dbraw/zinc/43/89/13/567438913.db2.gz HVFUMTDLXVIYDU-UHFFFAOYSA-N -1 1 380.238 3.459 20 30 GGEDMM N#Cc1cc([O-])cc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 ZINC000619243796 567441208 /nfs/dbraw/zinc/44/12/08/567441208.db2.gz GGXWVLBBDUXWLG-UHFFFAOYSA-N -1 1 399.204 3.006 20 30 GGEDMM C[C@@H](NC(=O)c1cc(I)ccc1[O-])c1ccc(C#N)cc1 ZINC000436725847 567445865 /nfs/dbraw/zinc/44/58/65/567445865.db2.gz VKBSNOLIYBRHQN-SNVBAGLBSA-N -1 1 392.196 3.359 20 30 GGEDMM C[S@@](=O)Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000550795442 567461646 /nfs/dbraw/zinc/46/16/46/567461646.db2.gz SNUFQILEHGKTED-HSZRJFAPSA-N -1 1 386.857 3.030 20 30 GGEDMM Cc1cc(CNC(=O)c2cc([O-])cc(C#N)c2)ccc1I ZINC000619617631 567469695 /nfs/dbraw/zinc/46/96/95/567469695.db2.gz VTLQITWHKGSDDV-UHFFFAOYSA-N -1 1 392.196 3.107 20 30 GGEDMM N#C[C@H](NC(=O)c1cc(I)ccc1[O-])c1ccccc1F ZINC000436972830 567470202 /nfs/dbraw/zinc/47/02/02/567470202.db2.gz QDIPIDWNVXBEHB-ZDUSSCGKSA-N -1 1 396.159 3.131 20 30 GGEDMM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000479168516 567511258 /nfs/dbraw/zinc/51/12/58/567511258.db2.gz YOFXHKMHJCWBLI-YGRLFVJLSA-N -1 1 375.263 3.339 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]CCCOc2ccc(Cl)cc2Cl)o1 ZINC000570835011 567516943 /nfs/dbraw/zinc/51/69/43/567516943.db2.gz RBMXTFLHKADEEK-UHFFFAOYSA-N -1 1 375.233 3.205 20 30 GGEDMM CSc1nc(C)c(CCC(=O)Nc2nc(C)c(SCC#N)s2)c(=O)[n-]1 ZINC000504724513 567545489 /nfs/dbraw/zinc/54/54/89/567545489.db2.gz HBYDOAUJFVKRNX-UHFFFAOYSA-N -1 1 395.535 3.164 20 30 GGEDMM C=CCCC(C)(C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000620863767 567547980 /nfs/dbraw/zinc/54/79/80/567547980.db2.gz BELMEGXERLDSSW-UHFFFAOYSA-N -1 1 379.309 3.133 20 30 GGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000439248055 567576219 /nfs/dbraw/zinc/57/62/19/567576219.db2.gz OGRJIOCLWAROSA-UHFFFAOYSA-N -1 1 380.267 3.472 20 30 GGEDMM C[C@@H](C#N)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000530642683 567616542 /nfs/dbraw/zinc/61/65/42/567616542.db2.gz QAJSCZMLOUIAKL-LBPRGKRZSA-N -1 1 377.853 3.030 20 30 GGEDMM CC[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000553766074 567681994 /nfs/dbraw/zinc/68/19/94/567681994.db2.gz UDFWYEPAFQIDNV-LBPRGKRZSA-N -1 1 383.267 3.213 20 30 GGEDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(Br)c2)ccc1F ZINC000507595010 567689500 /nfs/dbraw/zinc/68/95/00/567689500.db2.gz GLLUUCATOYSJHA-UHFFFAOYSA-N -1 1 397.225 3.463 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)cc(Br)c2)C2CC2)o1 ZINC000553861714 567692099 /nfs/dbraw/zinc/69/20/99/567692099.db2.gz RVXFIJILTIONEK-OAHLLOKOSA-N -1 1 399.241 3.482 20 30 GGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000507922306 567715646 /nfs/dbraw/zinc/71/56/46/567715646.db2.gz PNKGKPWHTKFSFC-JTQLQIEISA-N -1 1 377.853 3.378 20 30 GGEDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)c(Br)c1 ZINC000508071125 567725223 /nfs/dbraw/zinc/72/52/23/567725223.db2.gz XPNCJMBJSLYTMM-UHFFFAOYSA-N -1 1 381.251 3.268 20 30 GGEDMM N#Cc1sccc1N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000597937580 567727266 /nfs/dbraw/zinc/72/72/66/567727266.db2.gz YKEXTYWXEVKBCF-UHFFFAOYSA-N -1 1 392.278 3.050 20 30 GGEDMM COC(=O)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1Cl ZINC000443129718 567735714 /nfs/dbraw/zinc/73/57/14/567735714.db2.gz OBPOVVUVJGPHLG-OAHLLOKOSA-N -1 1 379.199 3.215 20 30 GGEDMM C[S@](=O)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000443403320 567755428 /nfs/dbraw/zinc/75/54/28/567755428.db2.gz OLBWVMOAMWPAJE-DEOSSOPVSA-N -1 1 388.392 3.115 20 30 GGEDMM O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2(N3CCOCC3)CCCCC2)c1[O-] ZINC000006509884 570461822 /nfs/dbraw/zinc/46/18/22/570461822.db2.gz RJGDSWGJEFYOCX-UDWIEESQSA-N -1 1 381.860 3.408 20 30 GGEDMM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 ZINC000819856702 598224698 /nfs/dbraw/zinc/22/46/98/598224698.db2.gz MAZABYRJTDQGSH-IBGZPJMESA-N -1 1 384.342 3.451 20 30 GGEDMM Cc1cc(C)n(N=Cc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1-c1nn[n-]n1 ZINC000737257653 598438269 /nfs/dbraw/zinc/43/82/69/598438269.db2.gz XQAYVQZWZYUARI-UHFFFAOYSA-N -1 1 396.760 3.200 20 30 GGEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735689725 598689637 /nfs/dbraw/zinc/68/96/37/598689637.db2.gz AODDWTCDXMIDEK-OAHLLOKOSA-N -1 1 380.383 3.076 20 30 GGEDMM CC(C)[C@@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735689725 598689638 /nfs/dbraw/zinc/68/96/38/598689638.db2.gz AODDWTCDXMIDEK-OAHLLOKOSA-N -1 1 380.383 3.076 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC000736203466 599838375 /nfs/dbraw/zinc/83/83/75/599838375.db2.gz TTWAMIRMHZJIAM-LBPRGKRZSA-N -1 1 376.459 3.437 20 30 GGEDMM Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)ccc1C(=O)[O-] ZINC000476755100 599926558 /nfs/dbraw/zinc/92/65/58/599926558.db2.gz GZUDQZCEPBGVBU-UHFFFAOYSA-N -1 1 384.335 3.385 20 30 GGEDMM N#Cc1ccnc(N2CCN(Cc3c4ccccc4sc3C(=O)[O-])CC2)c1 ZINC000739142325 599938097 /nfs/dbraw/zinc/93/80/97/599938097.db2.gz KKCJLFKNWAXWQA-UHFFFAOYSA-N -1 1 378.457 3.188 20 30 GGEDMM N#Cc1cccnc1N1CCN(Cc2c3ccccc3sc2C(=O)[O-])CC1 ZINC000739143020 599938141 /nfs/dbraw/zinc/93/81/41/599938141.db2.gz VICYBMOGTIPXNQ-UHFFFAOYSA-N -1 1 378.457 3.188 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1Cl ZINC000738408242 600289468 /nfs/dbraw/zinc/28/94/68/600289468.db2.gz LQIYBCNKCPSGBO-INIZCTEOSA-N -1 1 389.883 3.082 20 30 GGEDMM Cc1cc(N(CCC#N)C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1Cl ZINC000738408243 600289738 /nfs/dbraw/zinc/28/97/38/600289738.db2.gz LQIYBCNKCPSGBO-MRXNPFEDSA-N -1 1 389.883 3.082 20 30 GGEDMM Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(C(=O)[O-])c1 ZINC000609986711 600394946 /nfs/dbraw/zinc/39/49/46/600394946.db2.gz WBSYKDVGZWUAEV-UHFFFAOYSA-N -1 1 384.335 3.385 20 30 GGEDMM CCOc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)ccc1OCC(=O)[O-] ZINC000737179904 600519233 /nfs/dbraw/zinc/51/92/33/600519233.db2.gz UJCZHUSYOQTNOR-AWEZNQCLSA-N -1 1 393.399 3.224 20 30 GGEDMM N#Cc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000739105803 600566390 /nfs/dbraw/zinc/56/63/90/600566390.db2.gz ODPBBQVHZVTLJU-IBGZPJMESA-N -1 1 397.862 3.185 20 30 GGEDMM N#Cc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000739107354 600567010 /nfs/dbraw/zinc/56/70/10/600567010.db2.gz WRHRBPKPZCRHEU-LJQANCHMSA-N -1 1 397.862 3.185 20 30 GGEDMM COc1ccc(Br)cc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737921014 600596647 /nfs/dbraw/zinc/59/66/47/600596647.db2.gz VEUZBZXFXKTSKW-INIZCTEOSA-N -1 1 375.222 3.245 20 30 GGEDMM N#Cc1ccc([C@@H](OC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)C(=O)[O-])cc1 ZINC000739112008 600804115 /nfs/dbraw/zinc/80/41/15/600804115.db2.gz XNYRSIWYLBCEAT-UYAOXDASSA-N -1 1 396.418 3.278 20 30 GGEDMM COc1ccc(Br)cc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832152691 601303123 /nfs/dbraw/zinc/30/31/23/601303123.db2.gz KGDKGXOOGKFPJW-MRXNPFEDSA-N -1 1 375.222 3.245 20 30 GGEDMM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 ZINC000833074030 601310985 /nfs/dbraw/zinc/31/09/85/601310985.db2.gz MSLWBWOMFUXDIN-IBGZPJMESA-N -1 1 376.416 3.076 20 30 GGEDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(C#N)ccc2OC(F)F)c1C ZINC000609069184 601329776 /nfs/dbraw/zinc/32/97/76/601329776.db2.gz KGGPIOWOCHVFSX-UHFFFAOYSA-N -1 1 396.371 3.276 20 30 GGEDMM Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2C[C@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832849972 601513702 /nfs/dbraw/zinc/51/37/02/601513702.db2.gz VFRUVHFSYYKARX-SCLBCKFNSA-N -1 1 386.496 3.073 20 30 GGEDMM N#CCCN(C(=O)CN1CCC(CCC(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000833065742 601840055 /nfs/dbraw/zinc/84/00/55/601840055.db2.gz KUDKVLYCLGPGTE-UHFFFAOYSA-N -1 1 377.872 3.163 20 30 GGEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c(OC[C@@H]2CCCO2)c1 ZINC000832933414 601850732 /nfs/dbraw/zinc/85/07/32/601850732.db2.gz AYSCICXQLSENOJ-PZJWPPBQSA-N -1 1 380.444 3.340 20 30 GGEDMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000832933437 601850971 /nfs/dbraw/zinc/85/09/71/601850971.db2.gz BTNLFWONHTZVCX-PZJWPPBQSA-N -1 1 380.444 3.340 20 30 GGEDMM C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000826027166 601923194 /nfs/dbraw/zinc/92/31/94/601923194.db2.gz UNUGNALYRHGANU-HXPMCKFVSA-N -1 1 375.494 3.012 20 30 GGEDMM C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@](C)(C(=O)[O-])C1 ZINC000826027160 601923319 /nfs/dbraw/zinc/92/33/19/601923319.db2.gz UNUGNALYRHGANU-BLVKFPJESA-N -1 1 375.494 3.012 20 30 GGEDMM C=CCOc1c(Br)cc(CN2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1OC ZINC000833377528 604668487 /nfs/dbraw/zinc/66/84/87/604668487.db2.gz ADTMRWXGVXWPAQ-AAEUAGOBSA-N -1 1 384.270 3.175 20 30 GGEDMM CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1C#N ZINC000827058798 605009753 /nfs/dbraw/zinc/00/97/53/605009753.db2.gz XGOJMZSAXILSGD-UHFFFAOYSA-N -1 1 396.371 3.123 20 30 GGEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(OCC(=O)N(C)C)c1 ZINC000833386636 605156103 /nfs/dbraw/zinc/15/61/03/605156103.db2.gz NYFHBZNDLQWJRA-UHFFFAOYSA-N -1 1 389.839 3.341 20 30 GGEDMM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000779844345 605597025 /nfs/dbraw/zinc/59/70/25/605597025.db2.gz HDUFOEOLMGMPMP-SNVBAGLBSA-N -1 1 380.809 3.130 20 30 GGEDMM N#C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1)C1CC1 ZINC000822801741 606169665 /nfs/dbraw/zinc/16/96/65/606169665.db2.gz NOOMFCFBARBZEO-INIZCTEOSA-N -1 1 379.351 3.257 20 30 GGEDMM N#C[C@H](OC(=O)c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1)C1CC1 ZINC000822801741 606169666 /nfs/dbraw/zinc/16/96/66/606169666.db2.gz NOOMFCFBARBZEO-INIZCTEOSA-N -1 1 379.351 3.257 20 30 GGEDMM CCN(C)c1ccc(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nn[n-]n2)cc1 ZINC000821165057 606205593 /nfs/dbraw/zinc/20/55/93/606205593.db2.gz NZXYZNSGPREOLP-UHFFFAOYSA-N -1 1 382.472 3.444 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC(C)c2ccc(N3CCCC3)cc2O)o1 ZINC000819781607 606237622 /nfs/dbraw/zinc/23/76/22/606237622.db2.gz ARAAIPMEPOHMIT-UHFFFAOYSA-N -1 1 396.455 3.120 20 30 GGEDMM CC(C)Oc1ccc(NC(=S)NN=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820174722 606370391 /nfs/dbraw/zinc/37/03/91/606370391.db2.gz WWLHNDJOJYJRSS-UHFFFAOYSA-N -1 1 387.494 3.036 20 30 GGEDMM CCOC(=O)c1oc2c(c1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC000821346525 606390551 /nfs/dbraw/zinc/39/05/51/606390551.db2.gz LARWRGCPKRRMSH-CSKARUKUSA-N -1 1 384.417 3.219 20 30 GGEDMM N#CCCSc1ccccc1[N-]C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822811393 606678298 /nfs/dbraw/zinc/67/82/98/606678298.db2.gz YTQBKAJNZMEXAX-UHFFFAOYSA-N -1 1 386.387 3.403 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NCc2ccc(Br)c(F)c2)o1 ZINC000820203696 606837084 /nfs/dbraw/zinc/83/70/84/606837084.db2.gz XVUMDZRMGIHQRN-UHFFFAOYSA-N -1 1 394.208 3.326 20 30 GGEDMM Cc1ccc2c(c1)OCCCC2N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000822280542 606838322 /nfs/dbraw/zinc/83/83/22/606838322.db2.gz RITYJAJDFNLWPF-UHFFFAOYSA-N -1 1 381.440 3.350 20 30 GGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC2CSCCc3ccccc32)o1 ZINC000820108943 607035832 /nfs/dbraw/zinc/03/58/32/607035832.db2.gz WBLIIXMTJXRWBD-UHFFFAOYSA-N -1 1 383.481 3.159 20 30 GGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC(C[C@@H]2CCOC2)c2ccccc2)o1 ZINC000824280435 607816039 /nfs/dbraw/zinc/81/60/39/607816039.db2.gz NQMWXAHRAFDFDE-AWEZNQCLSA-N -1 1 395.467 3.296 20 30 GGEDMM CC(C)c1nc(-c2nn[n-]n2)c(NN=Cc2c(C3CC3)nc3sccn23)o1 ZINC000824352386 607886642 /nfs/dbraw/zinc/88/66/42/607886642.db2.gz BSUNJQCOXPARNY-UHFFFAOYSA-N -1 1 383.441 3.011 20 30 GGEDMM C[C@H]1CC(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nn[n-]n3)c2)=NO1 ZINC000824892271 608207899 /nfs/dbraw/zinc/20/78/99/608207899.db2.gz GEEQZTDSKBSARD-JTQLQIEISA-N -1 1 398.810 3.165 20 30 GGEDMM CC(CCc1n[nH]c2ccccc21)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000824412621 609447308 /nfs/dbraw/zinc/44/73/08/609447308.db2.gz CDDGPCZCVDJKQX-UHFFFAOYSA-N -1 1 379.428 3.275 20 30 GGEDMM C=CCOCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000823925298 609607815 /nfs/dbraw/zinc/60/78/15/609607815.db2.gz HKNOBTXIMSNBIJ-UHFFFAOYSA-N -1 1 399.838 3.245 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C[C@H](C)C#N)ccc2C)cc1 ZINC000053077734 1406282037 /nfs/dbraw/zinc/28/20/37/1406282037.db2.gz XQHSQLCZTREBRC-OAHLLOKOSA-N -1 1 385.489 3.336 20 30 GGEDMM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2)c1)c1nnc2n1CCCCC2 ZINC000054727329 1406814477 /nfs/dbraw/zinc/81/44/77/1406814477.db2.gz SQZBKZOYOLKURY-MRXNPFEDSA-N -1 1 380.839 3.334 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)c1 ZINC000006328712 1398542938 /nfs/dbraw/zinc/54/29/38/1398542938.db2.gz OLXOALORVKADKY-UHFFFAOYSA-N -1 1 393.472 3.344 20 30 GGEDMM CCc1cc2c(COC(=O)[C@H](C)Oc3ccc(C#N)cc3)cc(=O)oc2cc1[O-] ZINC000006466741 1398553918 /nfs/dbraw/zinc/55/39/18/1398553918.db2.gz UUXIFOUXHIMGLP-ZDUSSCGKSA-N -1 1 393.395 3.443 20 30 GGEDMM CCc1cc2c(COC(=O)COc3ccccc3C#N)cc(=O)oc2cc1[O-] ZINC000008184008 1398811816 /nfs/dbraw/zinc/81/18/16/1398811816.db2.gz AUQDABLQHZPURV-UHFFFAOYSA-N -1 1 379.368 3.055 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)c1 ZINC000012970405 1399070370 /nfs/dbraw/zinc/07/03/70/1399070370.db2.gz DREVAHFLUHGWPZ-UHFFFAOYSA-N -1 1 375.837 3.139 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)cc1 ZINC000012970406 1399070388 /nfs/dbraw/zinc/07/03/88/1399070388.db2.gz MINXJRYCAQEZLU-UHFFFAOYSA-N -1 1 375.837 3.139 20 30 GGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCCC3)c2)ccc1Cl ZINC000055584240 1407012876 /nfs/dbraw/zinc/01/28/76/1407012876.db2.gz NNIRKHHWGHTCRJ-UHFFFAOYSA-N -1 1 389.864 3.248 20 30 GGEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1-n1ncc(C#N)c1N ZINC000055586639 1407013865 /nfs/dbraw/zinc/01/38/65/1407013865.db2.gz PRLQUOHBHLRBSA-UHFFFAOYSA-N -1 1 387.852 3.089 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000055595671 1407019022 /nfs/dbraw/zinc/01/90/22/1407019022.db2.gz FSMDDWMLAARLAE-UHFFFAOYSA-N -1 1 381.335 3.172 20 30 GGEDMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)n1 ZINC000022931481 1399518523 /nfs/dbraw/zinc/51/85/23/1399518523.db2.gz AYPIZJSBPMUQHB-HNNXBMFYSA-N -1 1 384.505 3.458 20 30 GGEDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000055640001 1407036762 /nfs/dbraw/zinc/03/67/62/1407036762.db2.gz RLXIRXUFUUSANU-UHFFFAOYSA-N -1 1 388.445 3.265 20 30 GGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000055639938 1407036804 /nfs/dbraw/zinc/03/68/04/1407036804.db2.gz WNVCPTBULPXKRK-UHFFFAOYSA-N -1 1 399.472 3.445 20 30 GGEDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000055640009 1407037173 /nfs/dbraw/zinc/03/71/73/1407037173.db2.gz KNSWSHISQVPSAP-UHFFFAOYSA-N -1 1 375.406 3.387 20 30 GGEDMM C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1Cl ZINC000023416580 1399558530 /nfs/dbraw/zinc/55/85/30/1399558530.db2.gz XDOMZODVWQNMRI-SNVBAGLBSA-N -1 1 382.800 3.349 20 30 GGEDMM C=CCOc1ccc(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1OC ZINC000025990634 1399852437 /nfs/dbraw/zinc/85/24/37/1399852437.db2.gz BMUCXPGCKUNEHM-UHFFFAOYSA-N -1 1 382.368 3.429 20 30 GGEDMM CC(C)(C#N)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000056142969 1407223792 /nfs/dbraw/zinc/22/37/92/1407223792.db2.gz OZRZMFKEYJRMAZ-UHFFFAOYSA-N -1 1 379.388 3.254 20 30 GGEDMM CCCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000056484304 1407345761 /nfs/dbraw/zinc/34/57/61/1407345761.db2.gz VUJZOBJYCKRVOZ-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM CCCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000056484281 1407346185 /nfs/dbraw/zinc/34/61/85/1407346185.db2.gz LXYRSVPKTQUSQB-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM CCCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000056484295 1407346280 /nfs/dbraw/zinc/34/62/80/1407346280.db2.gz SXNXCCPQZFTHOR-UHFFFAOYSA-N -1 1 389.452 3.311 20 30 GGEDMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2cccc(C#N)c2)cc1 ZINC000045214774 1404076674 /nfs/dbraw/zinc/07/66/74/1404076674.db2.gz ZKQSNFCBMGRTFE-UHFFFAOYSA-N -1 1 377.473 3.494 20 30 GGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000045467015 1404127722 /nfs/dbraw/zinc/12/77/22/1404127722.db2.gz IVWQCIOTNRSLAW-UHFFFAOYSA-N -1 1 384.505 3.456 20 30 GGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C[C@H](C)C#N)c2)c1 ZINC000045852122 1404225195 /nfs/dbraw/zinc/22/51/95/1404225195.db2.gz ZTNIFGGMBQGKBI-OAHLLOKOSA-N -1 1 385.489 3.336 20 30 GGEDMM COc1cccc(CC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000046707129 1404559710 /nfs/dbraw/zinc/55/97/10/1404559710.db2.gz FUPUWRZFDFTXGZ-OAHLLOKOSA-N -1 1 393.468 3.291 20 30 GGEDMM Cc1cccc(OCC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000046707153 1404559755 /nfs/dbraw/zinc/55/97/55/1404559755.db2.gz AOPIUNBWBAKOTJ-HNNXBMFYSA-N -1 1 393.468 3.427 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CSc2ccccc21 ZINC000735419563 1425643852 /nfs/dbraw/zinc/64/38/52/1425643852.db2.gz VWSJBEVZFRIBTI-KRWDZBQOSA-N -1 1 377.473 3.271 20 30 GGEDMM CCCc1cc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)n[nH]1 ZINC000047362587 1404817100 /nfs/dbraw/zinc/81/71/00/1404817100.db2.gz HCXFLEFISRZASM-GFCCVEGCSA-N -1 1 381.461 3.029 20 30 GGEDMM Cc1noc(C)c1CCC(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000047362050 1404817206 /nfs/dbraw/zinc/81/72/06/1404817206.db2.gz JDTGGNYFLQPRKK-AWEZNQCLSA-N -1 1 396.472 3.277 20 30 GGEDMM CC(C)(C)CN(CCC#N)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735602360 1426466302 /nfs/dbraw/zinc/46/63/02/1426466302.db2.gz MYAXABGYHLLVJM-UHFFFAOYSA-N -1 1 377.905 3.479 20 30 GGEDMM Cn1cc(Cl)cc1C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000048816876 1405297979 /nfs/dbraw/zinc/29/79/79/1405297979.db2.gz NZKIXUAUFWCNLP-NSHDSACASA-N -1 1 386.864 3.345 20 30 GGEDMM CCC(CC)CN(CCC#N)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736338217 1427092570 /nfs/dbraw/zinc/09/25/70/1427092570.db2.gz QDRYEBGGFBCZJJ-UHFFFAOYSA-N -1 1 386.525 3.278 20 30 GGEDMM N#CC(=C([O-])c1cnn(-c2ccccc2Cl)c1)c1nnc2n1CCCCC2 ZINC000050206439 1405521149 /nfs/dbraw/zinc/52/11/49/1405521149.db2.gz UXWFKPIFMRCGAZ-AWEZNQCLSA-N -1 1 380.839 3.334 20 30 GGEDMM N#Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c(F)c1 ZINC000737722360 1427668379 /nfs/dbraw/zinc/66/83/79/1427668379.db2.gz HWYBCPCKRMDCJT-UHFFFAOYSA-N -1 1 388.815 3.262 20 30 GGEDMM CCN1CC(=Cc2ccccc2C#N)C(=O)C(=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000825444157 1427993782 /nfs/dbraw/zinc/99/37/82/1427993782.db2.gz JHVKTHYKPTVYRR-YZLQMOBTSA-N -1 1 396.454 3.110 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N(CCC#N)CCC#N)c2)c1 ZINC000057027353 1407504642 /nfs/dbraw/zinc/50/46/42/1407504642.db2.gz OOBQJWITDXGKBS-UHFFFAOYSA-N -1 1 396.472 3.065 20 30 GGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 ZINC000057124109 1407527809 /nfs/dbraw/zinc/52/78/09/1407527809.db2.gz KATKTHBLHPOKFS-CQSZACIVSA-N -1 1 386.473 3.350 20 30 GGEDMM N#CC1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000057856202 1407739661 /nfs/dbraw/zinc/73/96/61/1407739661.db2.gz FGWPNAIGMCUACR-UHFFFAOYSA-N -1 1 386.433 3.136 20 30 GGEDMM CCN(Cc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(C)=O ZINC000059774096 1407925456 /nfs/dbraw/zinc/92/54/56/1407925456.db2.gz HJHXGVBXCAETNF-UHFFFAOYSA-N -1 1 391.880 3.381 20 30 GGEDMM N#CC1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000061585809 1408151470 /nfs/dbraw/zinc/15/14/70/1408151470.db2.gz WDJXJFMGRKDYGO-UHFFFAOYSA-N -1 1 387.436 3.002 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC(C#N)CC3)c2)c1 ZINC000061585832 1408151675 /nfs/dbraw/zinc/15/16/75/1408151675.db2.gz PBIMPTKIZQNQPU-UHFFFAOYSA-N -1 1 397.500 3.480 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C#N)CC3)ccc2C)c1 ZINC000061585830 1408151754 /nfs/dbraw/zinc/15/17/54/1408151754.db2.gz ZFGNOZNSZIYBJB-UHFFFAOYSA-N -1 1 397.500 3.480 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(C#N)CC3)cc2)cc1C ZINC000061585670 1408151811 /nfs/dbraw/zinc/15/18/11/1408151811.db2.gz MTQCYDBWGCEZAK-UHFFFAOYSA-N -1 1 397.500 3.480 20 30 GGEDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000063149921 1408309686 /nfs/dbraw/zinc/30/96/86/1408309686.db2.gz NPIMYKOCALSAIJ-UHFFFAOYSA-N -1 1 391.880 3.494 20 30 GGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OCCOCC)cc2)c1 ZINC000063443299 1408355093 /nfs/dbraw/zinc/35/50/93/1408355093.db2.gz XNIKYJATCNEYTQ-UHFFFAOYSA-N -1 1 377.462 3.468 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)C[C@H](C)C#N)c2)c1 ZINC000063747528 1408399993 /nfs/dbraw/zinc/39/99/93/1408399993.db2.gz KETHEEXQNNCLJN-OAHLLOKOSA-N -1 1 385.489 3.336 20 30 GGEDMM Cc1cc(C(=O)NC2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000065223551 1408654998 /nfs/dbraw/zinc/65/49/98/1408654998.db2.gz BAFIQWMTAMJGBZ-UHFFFAOYSA-N -1 1 383.473 3.340 20 30 GGEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N(CC#N)C3CC3)c2)c1 ZINC000065895263 1408749493 /nfs/dbraw/zinc/74/94/93/1408749493.db2.gz REVQUCPNLVLRAU-UHFFFAOYSA-N -1 1 383.473 3.232 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2)cc1 ZINC000066336874 1408816077 /nfs/dbraw/zinc/81/60/77/1408816077.db2.gz ITVHAMNFOFOCHS-UHFFFAOYSA-N -1 1 399.472 3.014 20 30 GGEDMM CSc1nc(C)c(CCC(=O)N[C@@H](C#N)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1 ZINC000066396718 1408830661 /nfs/dbraw/zinc/83/06/61/1408830661.db2.gz KLFHJHAUTJEVLY-KRWDZBQOSA-N -1 1 398.532 3.411 20 30 GGEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(C(N)=O)c3)n2)cc1 ZINC000066544205 1408855418 /nfs/dbraw/zinc/85/54/18/1408855418.db2.gz HYDQOSBZENQQEC-MRXNPFEDSA-N -1 1 377.425 3.408 20 30 GGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OCCOC)cc2)c1 ZINC000066587666 1408861776 /nfs/dbraw/zinc/86/17/76/1408861776.db2.gz WUAITIHKQUOSTP-UHFFFAOYSA-N -1 1 377.462 3.468 20 30 GGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000066587708 1408861812 /nfs/dbraw/zinc/86/18/12/1408861812.db2.gz PEDJTDLTWBWWRM-UHFFFAOYSA-N -1 1 386.473 3.351 20 30 GGEDMM N#Cc1cccc(OCc2ccoc2C(=O)NCc2n[n-]c(=S)n2C2CC2)c1 ZINC000066637804 1408874999 /nfs/dbraw/zinc/87/49/99/1408874999.db2.gz KAIJZCWPGYOLFL-UHFFFAOYSA-N -1 1 395.444 3.249 20 30 GGEDMM C=CCc1cc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc(OC)c1OC ZINC000066650212 1408877973 /nfs/dbraw/zinc/87/79/73/1408877973.db2.gz NXPHXTSAQQBIQV-UHFFFAOYSA-N -1 1 376.482 3.197 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1OC ZINC000067072138 1409001668 /nfs/dbraw/zinc/00/16/68/1409001668.db2.gz LKJVYKXBARRTEX-VQHVLOKHSA-N -1 1 388.493 3.425 20 30 GGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(OC(F)F)c(OC)c2)n1 ZINC000067896593 1409251662 /nfs/dbraw/zinc/25/16/62/1409251662.db2.gz JLHVKHFBUKSKPN-JTQLQIEISA-N -1 1 396.371 3.420 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c1 ZINC000068075490 1409292065 /nfs/dbraw/zinc/29/20/65/1409292065.db2.gz KEWZKNYFJRDTDK-UHFFFAOYSA-N -1 1 381.457 3.194 20 30 GGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)COC3)ccc1OCC(F)(F)F ZINC000068075776 1409292272 /nfs/dbraw/zinc/29/22/72/1409292272.db2.gz HCLBINXHPHPRBH-UHFFFAOYSA-N -1 1 398.362 3.330 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(C)C[C@H](C)C#N)ccc2C)c1 ZINC000068082037 1409295171 /nfs/dbraw/zinc/29/51/71/1409295171.db2.gz HHCLHRCPHQYUAV-OAHLLOKOSA-N -1 1 385.489 3.336 20 30 GGEDMM CCN(CC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000068231213 1409335662 /nfs/dbraw/zinc/33/56/62/1409335662.db2.gz DNHSILOLJJLUQY-UHFFFAOYSA-N -1 1 395.843 3.266 20 30 GGEDMM CCc1ncc(C(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000068412894 1409395274 /nfs/dbraw/zinc/39/52/74/1409395274.db2.gz NPVSIFMXBVSIEN-SNVBAGLBSA-N -1 1 384.486 3.372 20 30 GGEDMM CC(C)n1c(C2CCN(C(=O)COc3ccc(C#N)cc3)CC2)n[n-]c1=S ZINC000068446778 1409405205 /nfs/dbraw/zinc/40/52/05/1409405205.db2.gz KJQIZZAOQWIXOO-UHFFFAOYSA-N -1 1 385.493 3.178 20 30 GGEDMM CCn1c(=S)[n-]nc1C1CCN(C(=O)C=Cc2ccc(OCC#N)cc2)CC1 ZINC000068452949 1409407440 /nfs/dbraw/zinc/40/74/40/1409407440.db2.gz RUCKIJNMYXZICX-VMPITWQZSA-N -1 1 397.504 3.282 20 30 GGEDMM CN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000069741010 1409686303 /nfs/dbraw/zinc/68/63/03/1409686303.db2.gz XESIHUHKSWZSNK-UHFFFAOYSA-N -1 1 395.843 3.266 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000072011112 1409837213 /nfs/dbraw/zinc/83/72/13/1409837213.db2.gz INKUWGIOCXHZGZ-MRXNPFEDSA-N -1 1 385.489 3.418 20 30 GGEDMM CCn1c(CCNC(=O)c2ccccc2-c2ccccc2C#N)n[n-]c1=S ZINC000097552837 1410376752 /nfs/dbraw/zinc/37/67/52/1410376752.db2.gz AMQVRLWTTKWWSW-UHFFFAOYSA-N -1 1 377.473 3.472 20 30 GGEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc(I)c2)cc1 ZINC000098014523 1410394635 /nfs/dbraw/zinc/39/46/35/1410394635.db2.gz PDJRICPKSOGMHZ-UHFFFAOYSA-N -1 1 398.225 3.158 20 30 GGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccn3)c2)c1 ZINC000102632159 1410680109 /nfs/dbraw/zinc/68/01/09/1410680109.db2.gz WVIXGIOKHPFXOS-UHFFFAOYSA-N -1 1 378.413 3.006 20 30 GGEDMM C#Cc1cccc(N(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C(C)C)c1 ZINC000102908980 1410806714 /nfs/dbraw/zinc/80/67/14/1410806714.db2.gz LTVPKSPKTHEVKD-UHFFFAOYSA-N -1 1 388.489 3.393 20 30 GGEDMM CCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000103330854 1410849483 /nfs/dbraw/zinc/84/94/83/1410849483.db2.gz XZIMKSMLPPBUEF-MRXNPFEDSA-N -1 1 389.415 3.017 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3sccc3OC)n2)n[n-]c1=S ZINC000106283486 1411191071 /nfs/dbraw/zinc/19/10/71/1411191071.db2.gz AQPFBUJSSZDHEZ-UHFFFAOYSA-N -1 1 393.519 3.496 20 30 GGEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)O[C@@H](C#N)C1CC1 ZINC000177012526 1428553798 /nfs/dbraw/zinc/55/37/98/1428553798.db2.gz YKLPMEPCRYMQJT-SFHVURJKSA-N -1 1 388.420 3.394 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)nc1 ZINC000107554449 1411387033 /nfs/dbraw/zinc/38/70/33/1411387033.db2.gz MJHNIGDBUSHLGN-UHFFFAOYSA-N -1 1 378.413 3.006 20 30 GGEDMM N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)nc1 ZINC000107783543 1411410605 /nfs/dbraw/zinc/41/06/05/1411410605.db2.gz OFEQACBVTWRZLQ-UHFFFAOYSA-N -1 1 378.413 3.006 20 30 GGEDMM N#CCOc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000108297471 1411466832 /nfs/dbraw/zinc/46/68/32/1411466832.db2.gz VQQKLCUJCBPKPW-UHFFFAOYSA-N -1 1 379.397 3.109 20 30 GGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)c1 ZINC000109425405 1411759592 /nfs/dbraw/zinc/75/95/92/1411759592.db2.gz BDVLAUIMVMUZAE-UHFFFAOYSA-N -1 1 393.896 3.123 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(C#N)CC3)c2)cc1 ZINC000109529141 1411779129 /nfs/dbraw/zinc/77/91/29/1411779129.db2.gz WKWXXJVTEYEEIC-UHFFFAOYSA-N -1 1 383.473 3.172 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3noc(C4CC4)n3)cc2)cc1 ZINC000110094930 1411831158 /nfs/dbraw/zinc/83/11/58/1411831158.db2.gz KNGQVVNWURWOTA-UHFFFAOYSA-N -1 1 396.428 3.198 20 30 GGEDMM CN(Cc1cscn1)Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000111996048 1412065325 /nfs/dbraw/zinc/06/53/25/1412065325.db2.gz VTLWXBHMWCIZKO-UHFFFAOYSA-N -1 1 398.513 3.448 20 30 GGEDMM CN(Cc1cscn1)Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000111996062 1412065518 /nfs/dbraw/zinc/06/55/18/1412065518.db2.gz MEJJSCDIBBPXCS-UHFFFAOYSA-N -1 1 398.513 3.448 20 30 GGEDMM N#C[C@@H](C(=O)[C@H]1COc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000113651216 1412330920 /nfs/dbraw/zinc/33/09/20/1412330920.db2.gz SJEBLUQLCFWORL-KBPBESRZSA-N -1 1 391.452 3.216 20 30 GGEDMM N#C[C@H](C(=O)[C@@H]1COc2ccccc21)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000113651210 1412331068 /nfs/dbraw/zinc/33/10/68/1412331068.db2.gz SJEBLUQLCFWORL-ZIAGYGMSSA-N -1 1 391.452 3.216 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)N2CCCC2)c1C ZINC000114673908 1412492777 /nfs/dbraw/zinc/49/27/77/1412492777.db2.gz RHDPBWWIDYYGGB-UHFFFAOYSA-N -1 1 383.473 3.212 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(CCC(=O)N2CCCC2)cc1 ZINC000114673767 1412493008 /nfs/dbraw/zinc/49/30/08/1412493008.db2.gz GWFPGFOZXUCIQC-UHFFFAOYSA-N -1 1 397.500 3.223 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000114850173 1412541535 /nfs/dbraw/zinc/54/15/35/1412541535.db2.gz WVQHSMBOLMXTJM-HOTGVXAUSA-N -1 1 385.489 3.281 20 30 GGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2cn3cccnc3n2)cc1 ZINC000114850190 1412541588 /nfs/dbraw/zinc/54/15/88/1412541588.db2.gz OQQDHGZUCWRLHN-UHFFFAOYSA-N -1 1 389.440 3.377 20 30 GGEDMM N#CC1(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000115151298 1412599376 /nfs/dbraw/zinc/59/93/76/1412599376.db2.gz FASLXQFOHILUQZ-UHFFFAOYSA-N -1 1 393.827 3.066 20 30 GGEDMM CCC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000116488168 1412867391 /nfs/dbraw/zinc/86/73/91/1412867391.db2.gz FZUIATDBTBUIQD-MRXNPFEDSA-N -1 1 389.452 3.357 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)Cc3ccccc3O)n2)n[n-]c1=S ZINC000116611235 1412886667 /nfs/dbraw/zinc/88/66/67/1412886667.db2.gz GTFGYXUIWWOOPF-UHFFFAOYSA-N -1 1 387.490 3.061 20 30 GGEDMM CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1)C(C)C ZINC000116710104 1412900553 /nfs/dbraw/zinc/90/05/53/1412900553.db2.gz ZCEZMPRIZSJGBK-UHFFFAOYSA-N -1 1 385.489 3.424 20 30 GGEDMM N#C[C@H](C(=O)C=Cc1cccnc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826379490 1428697442 /nfs/dbraw/zinc/69/74/42/1428697442.db2.gz STRTUIVEPNBGAC-ILNGBFOMSA-N -1 1 399.439 3.275 20 30 GGEDMM C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1cccc(C#N)c1 ZINC000824713496 1428720262 /nfs/dbraw/zinc/72/02/62/1428720262.db2.gz IUSFEVBHTPJDET-AUUYWEPGSA-N -1 1 388.431 3.012 20 30 GGEDMM Cc1c(C(=O)C=Cc2cn3cc(Cl)ccc3n2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203040 1428722406 /nfs/dbraw/zinc/72/24/06/1428722406.db2.gz RDMDSQFDDKDGRN-WAYWQWQTSA-N -1 1 393.838 3.120 20 30 GGEDMM CCc1oc2ccccc2c1C=NOCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736712954 1428729641 /nfs/dbraw/zinc/72/96/41/1428729641.db2.gz KUPOVVDSXGGLPW-UHFFFAOYSA-N -1 1 390.403 3.165 20 30 GGEDMM N#Cc1cc2c(nc1NCc1nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]1)CCCC2 ZINC000826384041 1428731624 /nfs/dbraw/zinc/73/16/24/1428731624.db2.gz DFRVVCCPXZSTPU-UHFFFAOYSA-N -1 1 397.446 3.014 20 30 GGEDMM N#CC1(COC(=O)c2ccc(COc3ccc(-c4nnn[n-]4)cc3)o2)CCCC1 ZINC000826379801 1428743431 /nfs/dbraw/zinc/74/34/31/1428743431.db2.gz BWDQFFGXXWRHLG-UHFFFAOYSA-N -1 1 393.403 3.279 20 30 GGEDMM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCC#Cc1ccccc1 ZINC000820033527 1428748616 /nfs/dbraw/zinc/74/86/16/1428748616.db2.gz WAUHRJKYWAGMJU-HXUWFJFHSA-N -1 1 390.443 3.255 20 30 GGEDMM O=C(C#Cc1ccccc1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822912042 1428755346 /nfs/dbraw/zinc/75/53/46/1428755346.db2.gz JYFZIJOQGKYUSF-UHFFFAOYSA-N -1 1 382.383 3.044 20 30 GGEDMM COc1ccccc1C=CC=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737147665 1428759506 /nfs/dbraw/zinc/75/95/06/1428759506.db2.gz NQZAFXXZLYWKAL-GTRYXQBNSA-N -1 1 375.432 3.384 20 30 GGEDMM C=C[C@@H](CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccccc1 ZINC000120840767 1413922544 /nfs/dbraw/zinc/92/25/44/1413922544.db2.gz PJMKGFAMLRDVQC-AWEZNQCLSA-N -1 1 386.473 3.131 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3sc(C)nc3C)n2)n[n-]c1=S ZINC000121266322 1414064379 /nfs/dbraw/zinc/06/43/79/1414064379.db2.gz ZHWJHGCTSRAWKV-UHFFFAOYSA-N -1 1 392.535 3.500 20 30 GGEDMM C=CCn1c(Cc2csc(NC(=O)c3cccc(C)c3O)n2)n[n-]c1=S ZINC000121267125 1414065317 /nfs/dbraw/zinc/06/53/17/1414065317.db2.gz WKFYNUYMALQXHN-UHFFFAOYSA-N -1 1 387.490 3.440 20 30 GGEDMM N#CCC1(COC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)CC1 ZINC000121536410 1414166924 /nfs/dbraw/zinc/16/69/24/1414166924.db2.gz BIWFFRPRHSTQIB-UHFFFAOYSA-N -1 1 388.420 3.477 20 30 GGEDMM CCN(CCC#N)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1C ZINC000121564412 1414179025 /nfs/dbraw/zinc/17/90/25/1414179025.db2.gz IMHJYBLNFSQXNI-UHFFFAOYSA-N -1 1 385.489 3.480 20 30 GGEDMM CCOCc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccc1OC ZINC000825604377 1428795800 /nfs/dbraw/zinc/79/58/00/1428795800.db2.gz IFKWQKSZSFZPNT-XBXARRHUSA-N -1 1 382.395 3.447 20 30 GGEDMM N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000121946536 1414317857 /nfs/dbraw/zinc/31/78/57/1414317857.db2.gz OKTFFDZURMVUST-UHFFFAOYSA-N -1 1 397.862 3.451 20 30 GGEDMM N#Cc1ccc(Oc2cccc(C(=O)Nc3ncc(-c4nn[n-]n4)s3)c2)cc1 ZINC000822833685 1428801393 /nfs/dbraw/zinc/80/13/93/1428801393.db2.gz UYZRJZNHUPJNBX-UHFFFAOYSA-N -1 1 389.400 3.239 20 30 GGEDMM CC(C)c1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)nn1C ZINC000177590242 1428805047 /nfs/dbraw/zinc/80/50/47/1428805047.db2.gz JMAVSCXEJZEBAI-LBPRGKRZSA-N -1 1 395.488 3.210 20 30 GGEDMM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820138341 1428805706 /nfs/dbraw/zinc/80/57/06/1428805706.db2.gz VERVLETTYHYSPO-YFHOEESVSA-N -1 1 394.410 3.432 20 30 GGEDMM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2NC1=O ZINC000122282487 1414410943 /nfs/dbraw/zinc/41/09/43/1414410943.db2.gz WPJKONWVNYQCTA-DGCLKSJQSA-N -1 1 376.441 3.496 20 30 GGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1OCC(F)(F)F ZINC000122326244 1414424377 /nfs/dbraw/zinc/42/43/77/1414424377.db2.gz VGHVHFOSCRLMME-UHFFFAOYSA-N -1 1 386.351 3.309 20 30 GGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1C(F)(F)F ZINC000177621559 1428813751 /nfs/dbraw/zinc/81/37/51/1428813751.db2.gz BZEBWTJRPSWLLD-UHFFFAOYSA-N -1 1 394.330 3.484 20 30 GGEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000122882198 1414588195 /nfs/dbraw/zinc/58/81/95/1414588195.db2.gz ZXPLWXDTPBHGOV-ICSRJNTNSA-N -1 1 397.438 3.319 20 30 GGEDMM C#CCCCCNC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000123937674 1414852990 /nfs/dbraw/zinc/85/29/90/1414852990.db2.gz DQZKGGXAMOOEBF-UHFFFAOYSA-N -1 1 385.489 3.090 20 30 GGEDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C2CC2)cc1 ZINC000124126760 1414890870 /nfs/dbraw/zinc/89/08/70/1414890870.db2.gz HRDFEFCTEZXOKN-KRWDZBQOSA-N -1 1 378.400 3.275 20 30 GGEDMM COc1ccc(C=C2Cc3cc(Br)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190996 1428847726 /nfs/dbraw/zinc/84/77/26/1428847726.db2.gz TZMJIBBWOHPMHV-WUXMJOGZSA-N -1 1 397.232 3.460 20 30 GGEDMM CCCC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000124265222 1414924243 /nfs/dbraw/zinc/92/42/43/1414924243.db2.gz ZHUZYDFCLXCJRF-UHFFFAOYSA-N -1 1 393.415 3.054 20 30 GGEDMM CCCC(=O)Nc1cccc(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC000124266910 1414925106 /nfs/dbraw/zinc/92/51/06/1414925106.db2.gz IFYQJSUOUXAAII-UHFFFAOYSA-N -1 1 393.415 3.054 20 30 GGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000177747788 1428849049 /nfs/dbraw/zinc/84/90/49/1428849049.db2.gz WWPBGLIEINSSRR-GFCCVEGCSA-N -1 1 382.405 3.245 20 30 GGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(N3CCCS3(=O)=O)c2)n1 ZINC000177759386 1428851755 /nfs/dbraw/zinc/85/17/55/1428851755.db2.gz TXSWOTFMQJYCHK-OAHLLOKOSA-N -1 1 389.502 3.296 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)Cc1ccc(OC)cc1 ZINC000823909793 1428889111 /nfs/dbraw/zinc/88/91/11/1428889111.db2.gz RBKZTSVIAJCJAI-MRXNPFEDSA-N -1 1 391.475 3.269 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccc(-n2cccn2)cc1 ZINC000125803975 1415285849 /nfs/dbraw/zinc/28/58/49/1415285849.db2.gz VNBHNMQEYFOPIF-LBPRGKRZSA-N -1 1 388.399 3.062 20 30 GGEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccc(-n2cccn2)c1 ZINC000125815862 1415288690 /nfs/dbraw/zinc/28/86/90/1415288690.db2.gz RCFPSVUSUBIMSM-LBPRGKRZSA-N -1 1 388.399 3.062 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=Cc1ccc(Cl)nc1 ZINC000823909876 1428900426 /nfs/dbraw/zinc/90/04/26/1428900426.db2.gz SIJPLZRJSBLXTF-CLFYSBASSA-N -1 1 380.839 3.143 20 30 GGEDMM C=CC[C@H](NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C)c1ccncc1 ZINC000735410047 1428902836 /nfs/dbraw/zinc/90/28/36/1428902836.db2.gz SCHDAVTVVSPTDF-IBGZPJMESA-N -1 1 391.479 3.499 20 30 GGEDMM CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820231077 1428931215 /nfs/dbraw/zinc/93/12/15/1428931215.db2.gz AFZSLOVXRNXRKF-MRXNPFEDSA-N -1 1 385.472 3.444 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC#N)c2)cc1Cl ZINC000126879492 1415593807 /nfs/dbraw/zinc/59/38/07/1415593807.db2.gz GCENCGBEGONPPC-UHFFFAOYSA-N -1 1 398.271 3.356 20 30 GGEDMM N#Cc1ccc(-n2ccc(NCc3ccc(-c4nn[n-]n4)cc3)n2)c(Cl)c1 ZINC000826384380 1428955096 /nfs/dbraw/zinc/95/50/96/1428955096.db2.gz SJYXUFOAIAOYLZ-UHFFFAOYSA-N -1 1 376.811 3.190 20 30 GGEDMM N#CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000126921848 1415609877 /nfs/dbraw/zinc/60/98/77/1415609877.db2.gz AZBPSSXZTGJNII-UHFFFAOYSA-N -1 1 391.452 3.408 20 30 GGEDMM N#Cc1ccc(NC(=O)CCCOc2ccc3c(c2)CCC3)cc1-c1nnn[n-]1 ZINC000822829721 1428960324 /nfs/dbraw/zinc/96/03/24/1428960324.db2.gz GEEPOQYQVBLWSV-UHFFFAOYSA-N -1 1 388.431 3.025 20 30 GGEDMM Cc1ccc(N(C)C(C)C)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737348180 1428972751 /nfs/dbraw/zinc/97/27/51/1428972751.db2.gz VEQVSTOONAIBNW-UHFFFAOYSA-N -1 1 375.436 3.144 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000127366088 1415754691 /nfs/dbraw/zinc/75/46/91/1415754691.db2.gz DCCTZTUIYMTHAR-IBGZPJMESA-N -1 1 389.452 3.357 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000127515081 1415803786 /nfs/dbraw/zinc/80/37/86/1415803786.db2.gz DRGIAWQUGKAXBD-SFHVURJKSA-N -1 1 375.425 3.049 20 30 GGEDMM CC[C@@](C)(C#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000127531113 1415805536 /nfs/dbraw/zinc/80/55/36/1415805536.db2.gz WYLMQGQBYZHYSK-SFHVURJKSA-N -1 1 393.415 3.188 20 30 GGEDMM CC[C@](C)(C#N)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000127540797 1415807182 /nfs/dbraw/zinc/80/71/82/1415807182.db2.gz FVGFUURZWOSTIZ-LJQANCHMSA-N -1 1 389.452 3.357 20 30 GGEDMM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccco1 ZINC000127573837 1415811955 /nfs/dbraw/zinc/81/19/55/1415811955.db2.gz CPQMPPNCRMGFQJ-LJQANCHMSA-N -1 1 386.404 3.367 20 30 GGEDMM N#Cc1cc(NC(=O)c2sccc2SC(F)F)ccc1-c1nnn[n-]1 ZINC000737710753 1429014258 /nfs/dbraw/zinc/01/42/58/1429014258.db2.gz WEIIWWHIJJIWMC-UHFFFAOYSA-N -1 1 378.389 3.367 20 30 GGEDMM N#Cc1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737704819 1429018216 /nfs/dbraw/zinc/01/82/16/1429018216.db2.gz KPHSXHYNQFKZSB-IBGZPJMESA-N -1 1 388.431 3.377 20 30 GGEDMM Clc1cc(-c2nn[n-]n2)cc(NN=Cc2ccccc2Br)n1 ZINC000826349947 1429044257 /nfs/dbraw/zinc/04/42/57/1429044257.db2.gz AQSJXENTAIKEHW-UHFFFAOYSA-N -1 1 378.621 3.124 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(NN=Cc2ccccc2Br)n1 ZINC000826349947 1429044260 /nfs/dbraw/zinc/04/42/60/1429044260.db2.gz AQSJXENTAIKEHW-UHFFFAOYSA-N -1 1 378.621 3.124 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccccc2Br)n1 ZINC000826349947 1429044266 /nfs/dbraw/zinc/04/42/66/1429044266.db2.gz AQSJXENTAIKEHW-UHFFFAOYSA-N -1 1 378.621 3.124 20 30 GGEDMM CC(=O)Nc1ccc(C(C)=NOCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819817767 1429037969 /nfs/dbraw/zinc/03/79/69/1429037969.db2.gz MJCMCGSFPDNKIZ-UHFFFAOYSA-N -1 1 394.435 3.035 20 30 GGEDMM Cc1ccc(-n2cc(C([O-])=C(C#N)C(=O)Nc3ccc(F)c(Cl)c3)nn2)cc1 ZINC000130253635 1416347177 /nfs/dbraw/zinc/34/71/77/1416347177.db2.gz VNZBTCWGQCVIMZ-AWEZNQCLSA-N -1 1 397.797 3.329 20 30 GGEDMM N#Cc1ccc(OC2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)cc1 ZINC000826386307 1429085337 /nfs/dbraw/zinc/08/53/37/1429085337.db2.gz YMRLCTZFGHPRBS-UHFFFAOYSA-N -1 1 397.442 3.334 20 30 GGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000131225519 1416525930 /nfs/dbraw/zinc/52/59/30/1416525930.db2.gz RJUIIHLSUJUJRF-ZDUSSCGKSA-N -1 1 383.770 3.021 20 30 GGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ncn(-c2ccccc2)n1 ZINC000131225329 1416526079 /nfs/dbraw/zinc/52/60/79/1416526079.db2.gz RJUIIHLSUJUJRF-CYBMUJFWSA-N -1 1 383.770 3.021 20 30 GGEDMM Fc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000822782908 1429106349 /nfs/dbraw/zinc/10/63/49/1429106349.db2.gz LPVVVTXAALMLOH-UHFFFAOYSA-N -1 1 379.168 3.353 20 30 GGEDMM C#Cc1cccc(N(Cc2cccs2)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000735391968 1429110567 /nfs/dbraw/zinc/11/05/67/1429110567.db2.gz ZIYAWJHUPWHBBE-UHFFFAOYSA-N -1 1 386.440 3.152 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1C(F)(F)F ZINC000131925355 1416652425 /nfs/dbraw/zinc/65/24/25/1416652425.db2.gz JNLCVRSKKHKVPB-UHFFFAOYSA-N -1 1 384.335 3.149 20 30 GGEDMM CCOc1cc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc(Cl)c1[O-] ZINC000178597340 1429117070 /nfs/dbraw/zinc/11/70/70/1429117070.db2.gz LEMYGRCMDPWFJM-GOSISDBHSA-N -1 1 399.878 3.467 20 30 GGEDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C#N)c3)cc21 ZINC000134447392 1417069190 /nfs/dbraw/zinc/06/91/90/1417069190.db2.gz WTZJERABMNUACL-UHFFFAOYSA-N -1 1 389.864 3.312 20 30 GGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)c1 ZINC000134455001 1417070717 /nfs/dbraw/zinc/07/07/17/1417070717.db2.gz YTIUEMYKMBEZNA-UHFFFAOYSA-N -1 1 386.473 3.351 20 30 GGEDMM N#C[C@@H](C(=O)CCCc1ccccn1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000136144822 1417295364 /nfs/dbraw/zinc/29/53/64/1417295364.db2.gz FKZCZJAWJGSEAD-HNNXBMFYSA-N -1 1 392.484 3.458 20 30 GGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)c1 ZINC000136577250 1417328393 /nfs/dbraw/zinc/32/83/93/1417328393.db2.gz JZXVJHZPUFVXGD-CQSZACIVSA-N -1 1 378.413 3.175 20 30 GGEDMM COc1cccc(NC(=O)C(C#N)=C([O-])c2csc(-c3ccc(C)n3C)n2)c1 ZINC000136578741 1417328623 /nfs/dbraw/zinc/32/86/23/1417328623.db2.gz ORQCNHKSOQKHHX-OAHLLOKOSA-N -1 1 394.456 3.427 20 30 GGEDMM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2)sc1Br ZINC000136595149 1417330932 /nfs/dbraw/zinc/33/09/32/1417330932.db2.gz KZELZDZIKXJTSL-SNVBAGLBSA-N -1 1 379.235 3.480 20 30 GGEDMM C=CCCOCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000147108385 1417739532 /nfs/dbraw/zinc/73/95/32/1417739532.db2.gz LUQGTSICNLKCNS-UHFFFAOYSA-N -1 1 378.425 3.158 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCC(C#N)CC3)cc2)cc1 ZINC000147258958 1417742209 /nfs/dbraw/zinc/74/22/09/1417742209.db2.gz GZYYAFMJKUNOBX-UHFFFAOYSA-N -1 1 383.473 3.172 20 30 GGEDMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCC(C#N)CC3)c2)c1 ZINC000147247315 1417742267 /nfs/dbraw/zinc/74/22/67/1417742267.db2.gz FGHBMRZWMYSDEW-UHFFFAOYSA-N -1 1 383.473 3.172 20 30 GGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)C[C@@H](C)C#N)c1 ZINC000148200984 1417760938 /nfs/dbraw/zinc/76/09/38/1417760938.db2.gz DAAFVAFDAUMAOF-AWEZNQCLSA-N -1 1 385.489 3.336 20 30 GGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N(C)C[C@H](C)C#N)c1 ZINC000148201162 1417761150 /nfs/dbraw/zinc/76/11/50/1417761150.db2.gz DAAFVAFDAUMAOF-CQSZACIVSA-N -1 1 385.489 3.336 20 30 GGEDMM C=CC[C@@H](NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccncc1 ZINC000735409949 1429237735 /nfs/dbraw/zinc/23/77/35/1429237735.db2.gz POWFUMKQEHELRC-LJQANCHMSA-N -1 1 392.463 3.244 20 30 GGEDMM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1OC ZINC000825604226 1429263775 /nfs/dbraw/zinc/26/37/75/1429263775.db2.gz FCNFOLOCZIEFDU-YVMONPNESA-N -1 1 398.394 3.318 20 30 GGEDMM CN(Cc1cccc(-c2nn[n-]n2)c1)c1c(C#N)cnc2c(F)ccc(F)c21 ZINC000736821247 1429310381 /nfs/dbraw/zinc/31/03/81/1429310381.db2.gz AXSXIHHPCCDMFD-UHFFFAOYSA-N -1 1 377.358 3.201 20 30 GGEDMM N#Cc1cc(-c2nnn[n-]2)c(SCc2cc(Cl)ccc2Cl)nc1N ZINC000737704360 1429349442 /nfs/dbraw/zinc/34/94/42/1429349442.db2.gz HOSJTXSPCVBYOA-UHFFFAOYSA-N -1 1 378.248 3.315 20 30 GGEDMM CN(C(=O)c1cc2ccccc2n1CC#N)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573269 1429375526 /nfs/dbraw/zinc/37/55/26/1429375526.db2.gz IPPBORWZTHNGIV-UHFFFAOYSA-N -1 1 391.822 3.275 20 30 GGEDMM N#CCCCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000737688819 1429390339 /nfs/dbraw/zinc/39/03/39/1429390339.db2.gz YIIPYAOHLKBSAW-UHFFFAOYSA-N -1 1 380.383 3.222 20 30 GGEDMM C=C[C@@H](CC(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1)c1ccccc1 ZINC000823882891 1429424446 /nfs/dbraw/zinc/42/44/46/1429424446.db2.gz FJZXYMWBVVDYLN-AWEZNQCLSA-N -1 1 392.415 3.056 20 30 GGEDMM C#CCOc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735380114 1429422384 /nfs/dbraw/zinc/42/23/84/1429422384.db2.gz CRIKFQKSRNCJQN-UHFFFAOYSA-N -1 1 391.431 3.067 20 30 GGEDMM Cc1oc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)cc1S(=O)(=O)N(C)C ZINC000179551952 1429426519 /nfs/dbraw/zinc/42/65/19/1429426519.db2.gz GWWJECIHZMUVTF-UHFFFAOYSA-N -1 1 395.506 3.321 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)CSCc1ccc(C#N)cc1 ZINC000826254174 1429452085 /nfs/dbraw/zinc/45/20/85/1429452085.db2.gz YOOGHVAONFURJI-UHFFFAOYSA-N -1 1 379.445 3.023 20 30 GGEDMM COc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)ccc1OC(F)F ZINC000821703178 1429478942 /nfs/dbraw/zinc/47/89/42/1429478942.db2.gz SGAPMUWTKJFGNV-ONEGZZNKSA-N -1 1 378.360 3.434 20 30 GGEDMM C=CCN(CC=C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819739715 1429489860 /nfs/dbraw/zinc/48/98/60/1429489860.db2.gz DWDVXDSMFWDAJE-ZDUSSCGKSA-N -1 1 386.525 3.198 20 30 GGEDMM N#Cc1cc(Cl)ccc1-n1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000826383465 1429536772 /nfs/dbraw/zinc/53/67/72/1429536772.db2.gz BNCDLIBSIHYXFZ-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)o1 ZINC000153161389 1422377150 /nfs/dbraw/zinc/37/71/50/1422377150.db2.gz ADMUNZZUSWYHQZ-OAHLLOKOSA-N -1 1 389.477 3.131 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NCc2ccc(OCC(F)F)cc2)o1 ZINC000735851492 1429574764 /nfs/dbraw/zinc/57/47/64/1429574764.db2.gz XNFINXIIRHWVSB-UHFFFAOYSA-N -1 1 391.382 3.143 20 30 GGEDMM C=CCOc1ccc(C=CC(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000819759139 1429589506 /nfs/dbraw/zinc/58/95/06/1429589506.db2.gz OWEZSHOQYNFOGG-WEVVVXLNSA-N -1 1 396.378 3.198 20 30 GGEDMM CCOc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1OC ZINC000821393864 1429601361 /nfs/dbraw/zinc/60/13/61/1429601361.db2.gz DMPBCTDLAWWWED-XNTDXEJSSA-N -1 1 376.416 3.487 20 30 GGEDMM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000179846186 1429608125 /nfs/dbraw/zinc/60/81/25/1429608125.db2.gz FGNVMKULDOPWIP-QGZVFWFLSA-N -1 1 395.426 3.243 20 30 GGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2CCCOc3cc4c(cc32)CCCC4)o1 ZINC000822424549 1423262122 /nfs/dbraw/zinc/26/21/22/1423262122.db2.gz WXQMIPUAAQWKGI-UHFFFAOYSA-N -1 1 379.424 3.031 20 30 GGEDMM N#CCn1c(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc2ccccc21 ZINC000737698454 1429627584 /nfs/dbraw/zinc/62/75/84/1429627584.db2.gz ZAAUXNVBUSVBTQ-UHFFFAOYSA-N -1 1 377.795 3.251 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)nnn1-c1cccc(Cl)c1 ZINC000826234351 1429631628 /nfs/dbraw/zinc/63/16/28/1429631628.db2.gz RXHQGOCPLSGDNP-KTKRTIGZSA-N -1 1 391.822 3.305 20 30 GGEDMM N#C[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000822801636 1429639027 /nfs/dbraw/zinc/63/90/27/1429639027.db2.gz LOFBWXHDDQGXEN-HNNXBMFYSA-N -1 1 387.230 3.097 20 30 GGEDMM N#C[C@@H](C(=O)Nc1ccc(F)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155666471 1423476055 /nfs/dbraw/zinc/47/60/55/1423476055.db2.gz TXEMJHZMUQZCNM-CYBMUJFWSA-N -1 1 382.420 3.248 20 30 GGEDMM N#C[C@H](C(=O)Nc1ccc(F)cc1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000155666345 1423476100 /nfs/dbraw/zinc/47/61/00/1423476100.db2.gz TXEMJHZMUQZCNM-ZDUSSCGKSA-N -1 1 382.420 3.248 20 30 GGEDMM Cc1cccc(NC(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000155669731 1423478224 /nfs/dbraw/zinc/47/82/24/1423478224.db2.gz FIUJKNHCBFZORB-CQSZACIVSA-N -1 1 378.457 3.418 20 30 GGEDMM Cc1cccc(NC(=O)[C@@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)c1 ZINC000155669634 1423478279 /nfs/dbraw/zinc/47/82/79/1423478279.db2.gz FIUJKNHCBFZORB-AWEZNQCLSA-N -1 1 378.457 3.418 20 30 GGEDMM Cc1ccc(CC(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)o1 ZINC000826286762 1429654130 /nfs/dbraw/zinc/65/41/30/1429654130.db2.gz PIULEUOAOFEBMB-OAHLLOKOSA-N -1 1 390.428 3.311 20 30 GGEDMM COc1cccc(-c2nc(C=NNCc3ccc(-c4nnn[n-]4)cc3)cs2)c1 ZINC000821854423 1423658593 /nfs/dbraw/zinc/65/85/93/1423658593.db2.gz JJOZOFHWFIITRJ-UHFFFAOYSA-N -1 1 391.460 3.123 20 30 GGEDMM Cc1nc(C)c(-c2nnn[n-]2)c(SCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000822427423 1423658676 /nfs/dbraw/zinc/65/86/76/1423658676.db2.gz NFMSBJDWYUISEG-UHFFFAOYSA-N -1 1 390.394 3.436 20 30 GGEDMM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000822220390 1423713174 /nfs/dbraw/zinc/71/31/74/1423713174.db2.gz PRKDWVAHZRHYSZ-UHFFFAOYSA-N -1 1 395.854 3.187 20 30 GGEDMM N#C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000826380301 1423743576 /nfs/dbraw/zinc/74/35/76/1423743576.db2.gz UXOXGPDXFLIPCP-GOSISDBHSA-N -1 1 383.452 3.431 20 30 GGEDMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)c3cccc(c23)C1=O ZINC000156286080 1423758021 /nfs/dbraw/zinc/75/80/21/1423758021.db2.gz QVDDWIGPMWUJDG-UHFFFAOYSA-N -1 1 377.425 3.297 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](SC)c1ccccc1 ZINC000735419194 1423759517 /nfs/dbraw/zinc/75/95/17/1423759517.db2.gz PYKWIYCALJXSBX-SFHVURJKSA-N -1 1 379.489 3.486 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825399542 1423760584 /nfs/dbraw/zinc/76/05/84/1423760584.db2.gz XJJZPHRINPLGHN-CQSZACIVSA-N -1 1 376.420 3.281 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cc(O)cc(O)c1 ZINC000823958275 1423779125 /nfs/dbraw/zinc/77/91/25/1423779125.db2.gz HFLBIULMNCQDGW-UHFFFAOYSA-N -1 1 378.314 3.133 20 30 GGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000156331529 1423784003 /nfs/dbraw/zinc/78/40/03/1423784003.db2.gz WKRGETHYHYDOIC-UHFFFAOYSA-N -1 1 392.436 3.243 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1c1cccc(OC)c1 ZINC000735419516 1423789834 /nfs/dbraw/zinc/78/98/34/1423789834.db2.gz UFDFJTJYKGXSRP-VQTJNVASSA-N -1 1 389.459 3.194 20 30 GGEDMM Cc1nc(C2([N-]S(=O)(=O)c3cccc(Cl)c3C#N)CCCCCC2)no1 ZINC000156433322 1423809785 /nfs/dbraw/zinc/80/97/85/1423809785.db2.gz ZWHJWAHFEOLCIB-UHFFFAOYSA-N -1 1 394.884 3.431 20 30 GGEDMM CC[C@H](SC)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825159351 1423821118 /nfs/dbraw/zinc/82/11/18/1423821118.db2.gz NVLFIRMIBCQHTO-OCCSQVGLSA-N -1 1 384.490 3.308 20 30 GGEDMM CN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1cc(Cl)ccc1C#N ZINC000156887804 1423880738 /nfs/dbraw/zinc/88/07/38/1423880738.db2.gz FDAOUSXEAZHYKP-UHFFFAOYSA-N -1 1 395.868 3.158 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC(=O)c1cccc(F)c1 ZINC000823909546 1423926568 /nfs/dbraw/zinc/92/65/68/1423926568.db2.gz IMTQSYMZUUKAFE-UHFFFAOYSA-N -1 1 393.422 3.184 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820166220 1423955922 /nfs/dbraw/zinc/95/59/22/1423955922.db2.gz ULEIAGFZUMAQIT-ZDUSSCGKSA-N -1 1 391.435 3.408 20 30 GGEDMM N#Cc1csc(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826387927 1424057387 /nfs/dbraw/zinc/05/73/87/1424057387.db2.gz ZQPZKTQEHRIABI-UHFFFAOYSA-N -1 1 386.440 3.397 20 30 GGEDMM N#C[C@@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000822801650 1424085497 /nfs/dbraw/zinc/08/54/97/1424085497.db2.gz LPJQDNXZOWIRMC-CQSZACIVSA-N -1 1 387.230 3.097 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@@H](C#N)C2CC2)cc1 ZINC000822146695 1424096148 /nfs/dbraw/zinc/09/61/48/1424096148.db2.gz YYNIHLMGVKCFAK-SFHVURJKSA-N -1 1 375.388 3.426 20 30 GGEDMM Cc1cc(C(=O)N(CC#N)C2CCCC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737228034 1424097210 /nfs/dbraw/zinc/09/72/10/1424097210.db2.gz SCWKLFBFLFMXHP-UHFFFAOYSA-N -1 1 389.463 3.183 20 30 GGEDMM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000819765019 1424108868 /nfs/dbraw/zinc/10/88/68/1424108868.db2.gz MGPHKCPACSCQKJ-DHZHZOJOSA-N -1 1 396.357 3.382 20 30 GGEDMM N#Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1-c1nnn[n-]1 ZINC000737703725 1424230319 /nfs/dbraw/zinc/23/03/19/1424230319.db2.gz FCLOFTDRVNFPFZ-UHFFFAOYSA-N -1 1 376.395 3.328 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccccc1Br ZINC000826173332 1429713894 /nfs/dbraw/zinc/71/38/94/1429713894.db2.gz YJLMLUOVSHDRHW-UHFFFAOYSA-N -1 1 388.225 3.189 20 30 GGEDMM C#CCSCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735387974 1424326483 /nfs/dbraw/zinc/32/64/83/1424326483.db2.gz MYENVPFDNYZUBX-UHFFFAOYSA-N -1 1 394.460 3.147 20 30 GGEDMM Cc1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c(C)n1-c1ccc(C#N)cc1 ZINC000737228412 1424336050 /nfs/dbraw/zinc/33/60/50/1424336050.db2.gz YVIGWKXHNYTKOR-UHFFFAOYSA-N -1 1 397.442 3.423 20 30 GGEDMM Cc1c(C(=O)C=Cc2cnc3ccc(Cl)cn23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201283 1424441052 /nfs/dbraw/zinc/44/10/52/1424441052.db2.gz BWORUMIZRDNIAR-AATRIKPKSA-N -1 1 393.838 3.120 20 30 GGEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820340004 1424472909 /nfs/dbraw/zinc/47/29/09/1424472909.db2.gz IHRDKPYNSHNCCH-OAHLLOKOSA-N -1 1 389.463 3.420 20 30 GGEDMM CCOC(=O)Nc1ccc(NCc2ccc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC000825552650 1424484318 /nfs/dbraw/zinc/48/43/18/1424484318.db2.gz BVSIGWZIHLXGMK-UHFFFAOYSA-N -1 1 381.371 3.058 20 30 GGEDMM C#Cc1cccc(N(Cc2ccco2)C(=O)COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735390852 1424501995 /nfs/dbraw/zinc/50/19/95/1424501995.db2.gz FRPOOSKLEQKDLB-UHFFFAOYSA-N -1 1 399.410 3.053 20 30 GGEDMM CCc1ncsc1C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000160066761 1424569712 /nfs/dbraw/zinc/56/97/12/1424569712.db2.gz RJAHKGXFIKFFEK-SNVBAGLBSA-N -1 1 384.486 3.372 20 30 GGEDMM C=CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2NCC)cc1OC ZINC000819759413 1424695558 /nfs/dbraw/zinc/69/55/58/1424695558.db2.gz XBESDYTYZKDHHY-UHFFFAOYSA-N -1 1 394.435 3.124 20 30 GGEDMM Cn1ccnc1COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826364455 1424710363 /nfs/dbraw/zinc/71/03/63/1424710363.db2.gz WZLICZMUEMKPHC-FLIBITNWSA-N -1 1 386.415 3.075 20 30 GGEDMM C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000819751621 1424760509 /nfs/dbraw/zinc/76/05/09/1424760509.db2.gz XYDCGFRVUZPUMY-UHFFFAOYSA-N -1 1 392.423 3.127 20 30 GGEDMM CCOc1c(OC)cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000825603770 1424806354 /nfs/dbraw/zinc/80/63/54/1424806354.db2.gz BTIWPZYFKHHYRI-YVMONPNESA-N -1 1 398.394 3.318 20 30 GGEDMM CCCC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OC(C)(C)C ZINC000162037811 1424811016 /nfs/dbraw/zinc/81/10/16/1424811016.db2.gz ONGIRJQMCMHVKD-INIZCTEOSA-N -1 1 384.473 3.017 20 30 GGEDMM COc1cc(OC)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000821723521 1424906819 /nfs/dbraw/zinc/90/68/19/1424906819.db2.gz CPRYSTNJPRDHFB-ARJAWSKDSA-N -1 1 376.825 3.495 20 30 GGEDMM CCCCOc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000821077389 1424949951 /nfs/dbraw/zinc/94/99/51/1424949951.db2.gz DATADWHBLMLQBR-UHFFFAOYSA-N -1 1 380.452 3.178 20 30 GGEDMM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000822233151 1424951737 /nfs/dbraw/zinc/95/17/37/1424951737.db2.gz ITRQTKOEWKZYQP-MJGOQNOKSA-N -1 1 388.431 3.153 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)CCc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820160017 1424963081 /nfs/dbraw/zinc/96/30/81/1424963081.db2.gz CVHDYUVDWKBVJA-UHFFFAOYSA-N -1 1 376.420 3.097 20 30 GGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cn2cc(Cl)ccc2n1 ZINC000823503098 1425056474 /nfs/dbraw/zinc/05/64/74/1425056474.db2.gz BESMWZZOPZYATH-WQLSENKSSA-N -1 1 376.807 3.380 20 30 GGEDMM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000736197879 1425102409 /nfs/dbraw/zinc/10/24/09/1425102409.db2.gz CPDHVZYNCQZTRA-DLBZAZTESA-N -1 1 387.491 3.178 20 30 GGEDMM C(=NOCc1cccc(-c2nnn[n-]2)c1)c1cccc(OCc2ccncc2)c1 ZINC000823867740 1425144030 /nfs/dbraw/zinc/14/40/30/1425144030.db2.gz GFRPXCAQLBGGOJ-UHFFFAOYSA-N -1 1 386.415 3.391 20 30 GGEDMM C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824034927 1425155136 /nfs/dbraw/zinc/15/51/36/1425155136.db2.gz QMVIFHSRPJEWKE-GJZGRUSLSA-N -1 1 389.463 3.396 20 30 GGEDMM CCc1cnccc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825736100 1425179832 /nfs/dbraw/zinc/17/98/32/1425179832.db2.gz VTNOARRMFFOGMT-CMDGGOBGSA-N -1 1 385.431 3.121 20 30 GGEDMM C=CCNC(=S)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735431619 1425180983 /nfs/dbraw/zinc/18/09/83/1425180983.db2.gz GGRCNJFQFRAERN-UHFFFAOYSA-N -1 1 380.477 3.227 20 30 GGEDMM CCOC(=O)Nc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000825545476 1425196814 /nfs/dbraw/zinc/19/68/14/1425196814.db2.gz SEWDKIBLGFCZHN-LBPRGKRZSA-N -1 1 377.408 3.480 20 30 GGEDMM COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1Cn1cccn1 ZINC000821769846 1425240772 /nfs/dbraw/zinc/24/07/72/1425240772.db2.gz LLNWQCQVSVOUOZ-PLNGDYQASA-N -1 1 392.444 3.078 20 30 GGEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000736112446 1425297366 /nfs/dbraw/zinc/29/73/66/1425297366.db2.gz RLVYZUZYKRNIQP-HNNXBMFYSA-N -1 1 389.463 3.420 20 30 GGEDMM C=CCn1c(SCc2ccc(F)cc2-c2nnn[n-]2)nnc1-c1ccccn1 ZINC000819764711 1425358948 /nfs/dbraw/zinc/35/89/48/1425358948.db2.gz KKDBFNBWKGFKMC-UHFFFAOYSA-N -1 1 394.439 3.138 20 30 GGEDMM N#CCCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826381445 1425359170 /nfs/dbraw/zinc/35/91/70/1425359170.db2.gz MCJOUJAUZKTXMT-UHFFFAOYSA-N -1 1 382.811 3.346 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000824713665 1425437889 /nfs/dbraw/zinc/43/78/89/1425437889.db2.gz JNSOAVFCFWJLJJ-LIRRHRJNSA-N -1 1 391.431 3.446 20 30 GGEDMM C#CC(C)(C)NC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823838575 1425461524 /nfs/dbraw/zinc/46/15/24/1425461524.db2.gz RQMYJZJTCBJWEY-UHFFFAOYSA-N -1 1 381.823 3.454 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1C#N ZINC000826234394 1425508660 /nfs/dbraw/zinc/50/86/60/1425508660.db2.gz UHQPFIWNXYONNV-UHFFFAOYSA-N -1 1 389.444 3.460 20 30 GGEDMM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826210860 1425736813 /nfs/dbraw/zinc/73/68/13/1425736813.db2.gz HRBXTNBKBLYNIQ-DUXPYHPUSA-N -1 1 378.360 3.434 20 30 GGEDMM C[C@@H](CCSc1ccccc1)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000820248317 1425758593 /nfs/dbraw/zinc/75/85/93/1425758593.db2.gz FKLLIZWLITWVPC-NSHDSACASA-N -1 1 383.506 3.379 20 30 GGEDMM C#CCN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C1CCCC1 ZINC000819697827 1425763549 /nfs/dbraw/zinc/76/35/49/1425763549.db2.gz LTUCQUZJEHWGJC-UHFFFAOYSA-N -1 1 391.431 3.057 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccc3ccc(Cl)cc3n2)ccc1-c1nn[n-]n1 ZINC000822823444 1425791366 /nfs/dbraw/zinc/79/13/66/1425791366.db2.gz QIEHPEKBHVCNMP-UHFFFAOYSA-N -1 1 375.779 3.192 20 30 GGEDMM N#Cc1ccc(NC(=O)c2cc(Cl)nc3ccccc32)cc1-c1nn[n-]n1 ZINC000737717805 1425805443 /nfs/dbraw/zinc/80/54/43/1425805443.db2.gz BCLCYKYDGHVZDL-UHFFFAOYSA-N -1 1 375.779 3.192 20 30 GGEDMM CC1(C)Cc2[nH]c(=O)c(C([O-])=C(C#N)c3nc4ccccc4o3)cc2C(=O)C1 ZINC000171797279 1425823264 /nfs/dbraw/zinc/82/32/64/1425823264.db2.gz JXLJAHJWPSRUAT-CYBMUJFWSA-N -1 1 375.384 3.161 20 30 GGEDMM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nc(-c2ccncc2)cs1 ZINC000172088099 1425893982 /nfs/dbraw/zinc/89/39/82/1425893982.db2.gz IMEDHGLPPNCCPN-ZDUSSCGKSA-N -1 1 376.397 3.026 20 30 GGEDMM CC(C)C[C@H](C#N)NC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735756671 1425897148 /nfs/dbraw/zinc/89/71/48/1425897148.db2.gz PNXXSSJQLWFZOK-CQSZACIVSA-N -1 1 394.410 3.466 20 30 GGEDMM N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)c2)s1 ZINC000737709512 1425900512 /nfs/dbraw/zinc/90/05/12/1425900512.db2.gz LLTAFURYCLTFSB-UHFFFAOYSA-N -1 1 386.440 3.397 20 30 GGEDMM Cc1c(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822084833 1425935489 /nfs/dbraw/zinc/93/54/89/1425935489.db2.gz PURFFZXWKHYZLB-PKOBYXMFSA-N -1 1 387.447 3.479 20 30 GGEDMM C[C@H](C#N)CN(C(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000824034391 1425947837 /nfs/dbraw/zinc/94/78/37/1425947837.db2.gz IVYIFJRDPJDASI-CQSZACIVSA-N -1 1 387.447 3.375 20 30 GGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000819898479 1426014780 /nfs/dbraw/zinc/01/47/80/1426014780.db2.gz HDTRAGJILWFUPP-SFHVURJKSA-N -1 1 390.447 3.114 20 30 GGEDMM C=CCC[C@@H](NC(=O)NCCOc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734546 1426020697 /nfs/dbraw/zinc/02/06/97/1426020697.db2.gz QTHYLSLXPOQCGM-LJQANCHMSA-N -1 1 392.463 3.252 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820164338 1426055809 /nfs/dbraw/zinc/05/58/09/1426055809.db2.gz IBAWDNLZPNMFTI-ZDUSSCGKSA-N -1 1 391.435 3.408 20 30 GGEDMM C=C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883556 1426057394 /nfs/dbraw/zinc/05/73/94/1426057394.db2.gz UAMJTMVDSUEUMW-GJZGRUSLSA-N -1 1 391.431 3.097 20 30 GGEDMM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737489212 1426059617 /nfs/dbraw/zinc/05/96/17/1426059617.db2.gz FCQIBYPVCJBMHK-UHFFFAOYSA-N -1 1 383.415 3.085 20 30 GGEDMM C#CCOc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000735381283 1426084418 /nfs/dbraw/zinc/08/44/18/1426084418.db2.gz SHGHWYGATKRZMV-UHFFFAOYSA-N -1 1 379.445 3.071 20 30 GGEDMM C[C@H]1CCc2c(C#N)c(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)sc2C1 ZINC000820727702 1426089139 /nfs/dbraw/zinc/08/91/39/1426089139.db2.gz NXBJXDARLXAVSK-NSHDSACASA-N -1 1 378.461 3.106 20 30 GGEDMM Cc1cc(-n2c(C)cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c2C)no1 ZINC000826256600 1426091870 /nfs/dbraw/zinc/09/18/70/1426091870.db2.gz QXTGYOYVOMXUSJ-UHFFFAOYSA-N -1 1 397.830 3.065 20 30 GGEDMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000172590811 1426101904 /nfs/dbraw/zinc/10/19/04/1426101904.db2.gz IIGRXVCEPWRGRK-UHFFFAOYSA-N -1 1 396.428 3.216 20 30 GGEDMM C=CCn1c(SCc2ccc(OC)c(-c3nnn[n-]3)c2)nnc1-c1ccco1 ZINC000823937459 1426108239 /nfs/dbraw/zinc/10/82/39/1426108239.db2.gz YRLQBKWLEFYIGF-UHFFFAOYSA-N -1 1 395.448 3.205 20 30 GGEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(OC(F)F)c1 ZINC000823958088 1426125453 /nfs/dbraw/zinc/12/54/53/1426125453.db2.gz BHPRMBAOAQGHHJ-UHFFFAOYSA-N -1 1 379.758 3.353 20 30 GGEDMM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(OC(F)F)c1 ZINC000823958088 1426125455 /nfs/dbraw/zinc/12/54/55/1426125455.db2.gz BHPRMBAOAQGHHJ-UHFFFAOYSA-N -1 1 379.758 3.353 20 30 GGEDMM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(OC(F)F)c1 ZINC000823958088 1426125457 /nfs/dbraw/zinc/12/54/57/1426125457.db2.gz BHPRMBAOAQGHHJ-UHFFFAOYSA-N -1 1 379.758 3.353 20 30 GGEDMM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnn(-c2ccc(F)cc2)n1 ZINC000172660891 1426132574 /nfs/dbraw/zinc/13/25/74/1426132574.db2.gz UVJCQTGDVPPLMY-OAHLLOKOSA-N -1 1 383.770 3.021 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000823909953 1426139001 /nfs/dbraw/zinc/13/90/01/1426139001.db2.gz UAWLCVSYROMVOI-UHFFFAOYSA-N -1 1 389.463 3.361 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1c(F)cccc1F ZINC000823909437 1426151861 /nfs/dbraw/zinc/15/18/61/1426151861.db2.gz DICUJHOXBUWIDX-CYBMUJFWSA-N -1 1 383.402 3.463 20 30 GGEDMM CCc1cc(N=NC(C)c2ccc(-c3nnn[n-]3)s2)nc(-c2ccccn2)n1 ZINC000825700687 1426152007 /nfs/dbraw/zinc/15/20/07/1426152007.db2.gz PKZQLIDKGUSCDN-UHFFFAOYSA-N -1 1 391.464 3.179 20 30 GGEDMM CCc1cc(NN=C(C)c2ccc(-c3nn[n-]n3)s2)nc(-c2ccccn2)n1 ZINC000825700687 1426152011 /nfs/dbraw/zinc/15/20/11/1426152011.db2.gz PKZQLIDKGUSCDN-UHFFFAOYSA-N -1 1 391.464 3.179 20 30 GGEDMM CCc1cc(NN=C(C)c2ccc(-c3nnn[n-]3)s2)nc(-c2ccccn2)n1 ZINC000825700687 1426152014 /nfs/dbraw/zinc/15/20/14/1426152014.db2.gz PKZQLIDKGUSCDN-UHFFFAOYSA-N -1 1 391.464 3.179 20 30 GGEDMM S=C(NN=Cc1ccc(-c2nnn[n-]2)o1)Nc1ccc(Cl)cc1Cl ZINC000823733386 1426235923 /nfs/dbraw/zinc/23/59/23/1426235923.db2.gz WGQBWIMVALQTNE-UHFFFAOYSA-N -1 1 382.236 3.087 20 30 GGEDMM N#Cc1cccc(OCCCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822837145 1426236918 /nfs/dbraw/zinc/23/69/18/1426236918.db2.gz GQEFATDJAKFGQS-UHFFFAOYSA-N -1 1 395.394 3.170 20 30 GGEDMM C#CCCCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2)c1 ZINC000172929763 1426269495 /nfs/dbraw/zinc/26/94/95/1426269495.db2.gz DMIDWBVPVXBQIM-UHFFFAOYSA-N -1 1 386.473 3.029 20 30 GGEDMM C#CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000172944009 1426277836 /nfs/dbraw/zinc/27/78/36/1426277836.db2.gz LWQGDJQMUMEULD-UHFFFAOYSA-N -1 1 386.473 3.029 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820164193 1426285814 /nfs/dbraw/zinc/28/58/14/1426285814.db2.gz GUNAUIAUFAYGEV-UHFFFAOYSA-N -1 1 394.460 3.256 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(NN=Cc2csc(Br)c2)n1 ZINC000826350790 1426313088 /nfs/dbraw/zinc/31/30/88/1426313088.db2.gz LGGUNIHKBNWEKH-UHFFFAOYSA-N -1 1 384.650 3.185 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822819346 1426354919 /nfs/dbraw/zinc/35/49/19/1426354919.db2.gz QPTANXZGJZVEBT-UHFFFAOYSA-N -1 1 399.380 3.084 20 30 GGEDMM CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1cc(F)c(F)c(F)c1 ZINC000735450999 1426356724 /nfs/dbraw/zinc/35/67/24/1426356724.db2.gz MHTBZPLZNSQGHW-UHFFFAOYSA-N -1 1 379.346 3.406 20 30 GGEDMM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000824449729 1426363067 /nfs/dbraw/zinc/36/30/67/1426363067.db2.gz OZSFXAYTYSQQLU-AWEZNQCLSA-N -1 1 389.415 3.046 20 30 GGEDMM Cn1cc(CNc2ccc(Cl)c(C#N)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361546 1426385051 /nfs/dbraw/zinc/38/50/51/1426385051.db2.gz BVENNABXRPJYEF-UHFFFAOYSA-N -1 1 390.838 3.404 20 30 GGEDMM N#CC1(NC(=O)c2cccc(COc3ccc(-c4nnn[n-]4)cc3)c2)CCCC1 ZINC000737677195 1426412939 /nfs/dbraw/zinc/41/29/39/1426412939.db2.gz AKFALVMRZRPJTL-UHFFFAOYSA-N -1 1 388.431 3.012 20 30 GGEDMM Clc1cccc(C#CCN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000826353473 1426418308 /nfs/dbraw/zinc/41/83/08/1426418308.db2.gz QOXQSJTUUHEIHJ-UHFFFAOYSA-N -1 1 393.878 3.415 20 30 GGEDMM N#Cc1ccc(Oc2ccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000737721266 1426428102 /nfs/dbraw/zinc/42/81/02/1426428102.db2.gz IKQYRWYZUHQQKQ-UHFFFAOYSA-N -1 1 384.355 3.145 20 30 GGEDMM Cc1c(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cccc1-c1nnn[n-]1 ZINC000826241347 1426429779 /nfs/dbraw/zinc/42/97/79/1426429779.db2.gz AJQLPGNEJIVRED-UHFFFAOYSA-N -1 1 385.431 3.368 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)c2ccc(C#N)s2)c1-c1nnn[n-]1 ZINC000826234078 1426467829 /nfs/dbraw/zinc/46/78/29/1426467829.db2.gz HNRFWHAZCZQMTN-UHFFFAOYSA-N -1 1 389.444 3.460 20 30 GGEDMM O=C(C=Cc1csc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403599 1426484885 /nfs/dbraw/zinc/48/48/85/1426484885.db2.gz WYOIKROIBHYIHA-FNORWQNLSA-N -1 1 378.392 3.420 20 30 GGEDMM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(Br)cc1F ZINC000822741333 1426486347 /nfs/dbraw/zinc/48/63/47/1426486347.db2.gz VDJSFWLXIAUHHM-UHFFFAOYSA-N -1 1 379.168 3.353 20 30 GGEDMM Cc1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826257843 1426498895 /nfs/dbraw/zinc/49/88/95/1426498895.db2.gz QEGGPPCIDNUPOX-ZDUSSCGKSA-N -1 1 389.463 3.039 20 30 GGEDMM Fc1cc(F)c(F)c(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)c1F ZINC000822754302 1426530067 /nfs/dbraw/zinc/53/00/67/1426530067.db2.gz YRIMJKXAVGZDTF-UHFFFAOYSA-N -1 1 392.238 3.449 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(C(F)(F)F)cc1 ZINC000737810359 1426533019 /nfs/dbraw/zinc/53/30/19/1426533019.db2.gz ZCFBNHTZKVNCKZ-SREVYHEPSA-N -1 1 384.321 3.429 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NC(C[C@H]2CCOC2)c2ccccc2)o1 ZINC000824135251 1426541683 /nfs/dbraw/zinc/54/16/83/1426541683.db2.gz COJIIBCVAWMPGC-CYBMUJFWSA-N -1 1 395.467 3.395 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)c(-c2cccs2)n1 ZINC000826359252 1426549749 /nfs/dbraw/zinc/54/97/49/1426549749.db2.gz AVKDZEUNLJWJSY-FNORWQNLSA-N -1 1 380.408 3.364 20 30 GGEDMM N#Cc1ccccc1NC(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737727371 1426555540 /nfs/dbraw/zinc/55/55/40/1426555540.db2.gz JRXHIUKFMXKVFM-UHFFFAOYSA-N -1 1 386.371 3.163 20 30 GGEDMM C[C@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820294520 1426586089 /nfs/dbraw/zinc/58/60/89/1426586089.db2.gz UGVQCNWPGXQFAH-LLVKDONJSA-N -1 1 382.424 3.244 20 30 GGEDMM N#Cc1ccc(-c2cccc(CNC(=O)c3ccc(-c4nnn[n-]4)s3)c2)s1 ZINC000822823601 1426601159 /nfs/dbraw/zinc/60/11/59/1426601159.db2.gz TZXQORYYGXXYRO-UHFFFAOYSA-N -1 1 392.469 3.458 20 30 GGEDMM C=CCOc1ccc(OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000819758812 1426606829 /nfs/dbraw/zinc/60/68/29/1426606829.db2.gz HUNBJUSLAIMBLZ-UHFFFAOYSA-N -1 1 376.376 3.061 20 30 GGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819856817 1426617611 /nfs/dbraw/zinc/61/76/11/1426617611.db2.gz MSPZOODZSCCKKF-ZDUSSCGKSA-N -1 1 378.461 3.300 20 30 GGEDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000821407061 1426626100 /nfs/dbraw/zinc/62/61/00/1426626100.db2.gz NZHVRJFFZZILHD-LBPRGKRZSA-N -1 1 377.408 3.020 20 30 GGEDMM CCCCCCCC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825271957 1426648895 /nfs/dbraw/zinc/64/88/95/1426648895.db2.gz SCOIQFODQYOTDZ-UHFFFAOYSA-N -1 1 386.500 3.428 20 30 GGEDMM C[C@H](C#N)CN(C)C(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735503394 1426659152 /nfs/dbraw/zinc/65/91/52/1426659152.db2.gz KHBPFQPOYXPTRN-GFCCVEGCSA-N -1 1 380.383 3.030 20 30 GGEDMM COCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826157300 1426710710 /nfs/dbraw/zinc/71/07/10/1426710710.db2.gz PXVRWFDNRWXVMR-TWGQIWQCSA-N -1 1 382.395 3.317 20 30 GGEDMM CCNc1ccc(C#N)cc1NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821308487 1426732328 /nfs/dbraw/zinc/73/23/28/1426732328.db2.gz BIUWTAHTQUHADD-UHFFFAOYSA-N -1 1 393.476 3.042 20 30 GGEDMM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000820219876 1426752455 /nfs/dbraw/zinc/75/24/55/1426752455.db2.gz KRQBKTNZUCBEHE-ZDUSSCGKSA-N -1 1 377.408 3.425 20 30 GGEDMM CCCOc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC ZINC000825339267 1426752477 /nfs/dbraw/zinc/75/24/77/1426752477.db2.gz UUEVDPWBLUNMKY-UHFFFAOYSA-N -1 1 387.831 3.159 20 30 GGEDMM CCCOc1cc(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1OC ZINC000825339267 1426752482 /nfs/dbraw/zinc/75/24/82/1426752482.db2.gz UUEVDPWBLUNMKY-UHFFFAOYSA-N -1 1 387.831 3.159 20 30 GGEDMM CCCOc1cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1OC ZINC000825339267 1426752487 /nfs/dbraw/zinc/75/24/87/1426752487.db2.gz UUEVDPWBLUNMKY-UHFFFAOYSA-N -1 1 387.831 3.159 20 30 GGEDMM C=CCCS(=O)(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823899144 1426761833 /nfs/dbraw/zinc/76/18/33/1426761833.db2.gz NKYKWNARBQIPRJ-CQSZACIVSA-N -1 1 383.477 3.090 20 30 GGEDMM C#Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)SC2=S)c1 ZINC000819709334 1426768541 /nfs/dbraw/zinc/76/85/41/1426768541.db2.gz DFEMCHQPMOZWAR-ZROIWOOFSA-N -1 1 395.494 3.315 20 30 GGEDMM COc1cc(C#N)ccc1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826177251 1426799797 /nfs/dbraw/zinc/79/97/97/1426799797.db2.gz ZSSTYOXGNJSGNF-UHFFFAOYSA-N -1 1 378.461 3.313 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(C#N)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359679 1426804522 /nfs/dbraw/zinc/80/45/22/1426804522.db2.gz NTDQSQYRQKGELW-HJWRWDBZSA-N -1 1 399.389 3.174 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000824716034 1426820609 /nfs/dbraw/zinc/82/06/09/1426820609.db2.gz WGJVSZSKCDUKQN-LIRRHRJNSA-N -1 1 391.431 3.446 20 30 GGEDMM COc1ccc(CSCCOc2ccc(-c3nnn[n-]3)cc2OC)cc1C#N ZINC000826208123 1426855106 /nfs/dbraw/zinc/85/51/06/1426855106.db2.gz UMSXHXUHHYMEAK-UHFFFAOYSA-N -1 1 397.460 3.068 20 30 GGEDMM N#C[C@H](C(=O)CCC1CCOCC1)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000173916573 1426891093 /nfs/dbraw/zinc/89/10/93/1426891093.db2.gz ZAINSVVSKGHMAQ-CQSZACIVSA-N -1 1 385.489 3.246 20 30 GGEDMM N#CCc1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737698540 1426947571 /nfs/dbraw/zinc/94/75/71/1426947571.db2.gz ZXMZVHJZPGZGGW-UHFFFAOYSA-N -1 1 376.420 3.121 20 30 GGEDMM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CON=C1CCOc2ccccc21 ZINC000822732915 1427031829 /nfs/dbraw/zinc/03/18/29/1427031829.db2.gz OOVJUDPHGQNFMD-UHFFFAOYSA-N -1 1 387.346 3.172 20 30 GGEDMM N#Cc1ccc(NC(=O)C2(c3ccc(F)cc3F)CCC2)cc1-c1nnn[n-]1 ZINC000826385422 1427060817 /nfs/dbraw/zinc/06/08/17/1427060817.db2.gz LTHSICGYNPUCGL-UHFFFAOYSA-N -1 1 380.358 3.077 20 30 GGEDMM N#Cc1cccc(CNc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)c1F ZINC000826386928 1427072240 /nfs/dbraw/zinc/07/22/40/1427072240.db2.gz YSRKTPUJOGEVOO-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM CC(C)c1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000820187833 1427074977 /nfs/dbraw/zinc/07/49/77/1427074977.db2.gz VEEHXGYVRXGALD-UHFFFAOYSA-N -1 1 398.430 3.300 20 30 GGEDMM C=CCN(Cc1c(Cl)nc2ccccn21)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914819 1427077224 /nfs/dbraw/zinc/07/72/24/1427077224.db2.gz OBKTZNLBXPCYOA-UHFFFAOYSA-N -1 1 379.855 3.356 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000826234301 1427094367 /nfs/dbraw/zinc/09/43/67/1427094367.db2.gz POJWBRNHWKTQKF-BQYQJAHWSA-N -1 1 394.347 3.196 20 30 GGEDMM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400829 1427111819 /nfs/dbraw/zinc/11/18/19/1427111819.db2.gz JKDNKADYUGDLNA-FPYGCLRLSA-N -1 1 388.362 3.484 20 30 GGEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820120874 1427136576 /nfs/dbraw/zinc/13/65/76/1427136576.db2.gz LPLWVEOSZCUOIY-UHFFFAOYSA-N -1 1 382.374 3.067 20 30 GGEDMM Cn1cc(C=C2CCc3ccccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359724 1427147240 /nfs/dbraw/zinc/14/72/40/1427147240.db2.gz OYWBXIABNXNEJQ-SFQUDFHCSA-N -1 1 382.427 3.480 20 30 GGEDMM CC[C@H](C#N)Oc1cc(CNc2ncc(-c3nnn[n-]3)cc2Cl)ccc1OC ZINC000736310230 1427160266 /nfs/dbraw/zinc/16/02/66/1427160266.db2.gz WOBNKNZSDHZYKZ-CYBMUJFWSA-N -1 1 399.842 3.217 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737709748 1427163651 /nfs/dbraw/zinc/16/36/51/1427163651.db2.gz QEUPTIQVMNWYST-UHFFFAOYSA-N -1 1 396.414 3.054 20 30 GGEDMM C[C@H]1CC(=NC(=O)c2ccccc2SCc2ccc(-c3nnn[n-]3)cc2)NO1 ZINC000824892501 1427166393 /nfs/dbraw/zinc/16/63/93/1427166393.db2.gz JJLVJURGEDQBTI-LBPRGKRZSA-N -1 1 394.460 3.011 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000823909657 1427227480 /nfs/dbraw/zinc/22/74/80/1427227480.db2.gz MOJKLGGLHVETRD-QZTJIDSGSA-N -1 1 398.511 3.158 20 30 GGEDMM COc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1Cn1cccn1 ZINC000821769575 1427248026 /nfs/dbraw/zinc/24/80/26/1427248026.db2.gz IJGARWBCICKUEL-SOFGYWHQSA-N -1 1 386.415 3.016 20 30 GGEDMM Fc1ccc(NC(=S)NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000822778417 1427285787 /nfs/dbraw/zinc/28/57/87/1427285787.db2.gz HKPHEDXRTZBEJI-UHFFFAOYSA-N -1 1 381.440 3.033 20 30 GGEDMM Cc1cc(C)c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)sc2n1 ZINC000737249431 1427287758 /nfs/dbraw/zinc/28/77/58/1427287758.db2.gz ZKELCWSBTHHENQ-UHFFFAOYSA-N -1 1 375.417 3.217 20 30 GGEDMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000174743018 1427343824 /nfs/dbraw/zinc/34/38/24/1427343824.db2.gz SUJNMAIMZJILNV-UHFFFAOYSA-N -1 1 397.378 3.080 20 30 GGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1C(F)(F)F ZINC000174743221 1427343995 /nfs/dbraw/zinc/34/39/95/1427343995.db2.gz GWGONOMATDSZTJ-UHFFFAOYSA-N -1 1 394.330 3.484 20 30 GGEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735647927 1427367316 /nfs/dbraw/zinc/36/73/16/1427367316.db2.gz HRLLQKQMNKDVFG-LJQANCHMSA-N -1 1 388.475 3.478 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000823909656 1427399202 /nfs/dbraw/zinc/39/92/02/1427399202.db2.gz MOJKLGGLHVETRD-MSOLQXFVSA-N -1 1 398.511 3.158 20 30 GGEDMM C=CCSCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735436617 1427401278 /nfs/dbraw/zinc/40/12/78/1427401278.db2.gz POGQKOKNUXNWBI-UHFFFAOYSA-N -1 1 395.488 3.095 20 30 GGEDMM Cc1c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cnn1-c1ccc(C#N)cc1 ZINC000737203057 1427408949 /nfs/dbraw/zinc/40/89/49/1427408949.db2.gz RSQRPOMBUHIPFE-JXMROGBWSA-N -1 1 381.399 3.129 20 30 GGEDMM CCCn1nc(C)c(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1C ZINC000821147717 1427446992 /nfs/dbraw/zinc/44/69/92/1427446992.db2.gz IKXNBCMVHSYSRV-CMDGGOBGSA-N -1 1 379.468 3.042 20 30 GGEDMM Cc1cc(C#N)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC000826257034 1427462356 /nfs/dbraw/zinc/46/23/56/1427462356.db2.gz KUKUCZMHPYLBRG-SNVBAGLBSA-N -1 1 378.461 3.485 20 30 GGEDMM C=CCC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734989 1427494913 /nfs/dbraw/zinc/49/49/13/1427494913.db2.gz YKYHUGBWJVWCEU-BEFAXECRSA-N -1 1 377.448 3.458 20 30 GGEDMM CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821395229 1427511371 /nfs/dbraw/zinc/51/13/71/1427511371.db2.gz SWQCPXOGZAYAGC-UHFFFAOYSA-N -1 1 375.797 3.071 20 30 GGEDMM Cc1ncsc1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822481716 1427515298 /nfs/dbraw/zinc/51/52/98/1427515298.db2.gz CJVYMKSMRNTEEW-LBPRGKRZSA-N -1 1 393.457 3.245 20 30 GGEDMM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822837898 1427523841 /nfs/dbraw/zinc/52/38/41/1427523841.db2.gz XPONVUZBXAIVJI-YVMONPNESA-N -1 1 384.321 3.409 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(Cl)nc2)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822016027 1427532581 /nfs/dbraw/zinc/53/25/81/1427532581.db2.gz TYPKVARSJZCOGQ-KRXBUXKQSA-N -1 1 391.822 3.305 20 30 GGEDMM Cc1sc2ncnc(N=NC(C)c3ccc(-c4nnn[n-]4)cc3F)c2c1C ZINC000823962948 1427536536 /nfs/dbraw/zinc/53/65/36/1427536536.db2.gz TURLESVHBBOXCI-UHFFFAOYSA-N -1 1 382.428 3.463 20 30 GGEDMM CC(=NNc1ncnc2sc(C)c(C)c21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962948 1427536540 /nfs/dbraw/zinc/53/65/40/1427536540.db2.gz TURLESVHBBOXCI-UHFFFAOYSA-N -1 1 382.428 3.463 20 30 GGEDMM CC(=NNc1ncnc2sc(C)c(C)c21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962948 1427536543 /nfs/dbraw/zinc/53/65/43/1427536543.db2.gz TURLESVHBBOXCI-UHFFFAOYSA-N -1 1 382.428 3.463 20 30 GGEDMM N#C[C@@H](COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000826379065 1427582107 /nfs/dbraw/zinc/58/21/07/1427582107.db2.gz IHSFFBGHQYVGDX-AWEZNQCLSA-N -1 1 399.501 3.087 20 30 GGEDMM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cnn1C1CCCCC1 ZINC000826234880 1427628648 /nfs/dbraw/zinc/62/86/48/1427628648.db2.gz RZNHZONVIOBNBQ-UHFFFAOYSA-N -1 1 376.424 3.001 20 30 GGEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000735875151 1427646265 /nfs/dbraw/zinc/64/62/65/1427646265.db2.gz ZPNTXXTZJUAXMY-UHFFFAOYSA-N -1 1 375.436 3.375 20 30 GGEDMM C[C@@H](C#N)COC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000819854915 1427648241 /nfs/dbraw/zinc/64/82/41/1427648241.db2.gz DBOVQDAVVSNABY-ZDUSSCGKSA-N -1 1 379.445 3.475 20 30 GGEDMM CC1(C)CSC(=NCc2ccccc2)N1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820607127 1427652030 /nfs/dbraw/zinc/65/20/30/1427652030.db2.gz IYXZXCODLWHNCX-ZPHPHTNESA-N -1 1 398.517 3.452 20 30 GGEDMM CC(C)NC(=O)Nc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820138618 1427661518 /nfs/dbraw/zinc/66/15/18/1427661518.db2.gz ZMVFGWSVECAQLO-CLFYSBASSA-N -1 1 382.449 3.354 20 30 GGEDMM Clc1cc(NN=Cc2ccc(Br)cn2)ccc1-c1nnn[n-]1 ZINC000826351723 1427746346 /nfs/dbraw/zinc/74/63/46/1427746346.db2.gz XPCVWUVOTSRESY-UHFFFAOYSA-N -1 1 378.621 3.124 20 30 GGEDMM C[C@H](C#N)CN(C)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735502247 1427784830 /nfs/dbraw/zinc/78/48/30/1427784830.db2.gz CSOZNXZXDOFAEM-CYBMUJFWSA-N -1 1 377.408 3.282 20 30 GGEDMM N#C[C@H](C(=O)CCc1ccoc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822801186 1427863247 /nfs/dbraw/zinc/86/32/47/1427863247.db2.gz GEUBLVYJDLYWMI-OAHLLOKOSA-N -1 1 390.428 3.392 20 30 GGEDMM C=C(C)[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F)OCC ZINC000823873099 1427876623 /nfs/dbraw/zinc/87/66/23/1427876623.db2.gz IIZKZSYCWCFSJX-OAHLLOKOSA-N -1 1 397.401 3.129 20 30 GGEDMM N#Cc1ccc(NC(=O)c2csc(Cc3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000737719863 1427902509 /nfs/dbraw/zinc/90/25/09/1427902509.db2.gz WOPQBEAIMOSJOD-UHFFFAOYSA-N -1 1 387.428 3.038 20 30 GGEDMM N#Cc1ccccc1-c1ccccc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822837876 1427952016 /nfs/dbraw/zinc/95/20/16/1427952016.db2.gz WNKXVUMCFLIMBY-UHFFFAOYSA-N -1 1 398.401 3.474 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CC)c1nc(C)cs1 ZINC000735420031 1427964594 /nfs/dbraw/zinc/96/45/94/1427964594.db2.gz MBIFCYBCRPKLAE-MRXNPFEDSA-N -1 1 397.508 3.481 20 30 GGEDMM C=CCc1ccc(OCC(=O)OCc2ccc(-c3nnn[n-]3)cc2C)c(OC)c1 ZINC000823937128 1427977250 /nfs/dbraw/zinc/97/72/50/1427977250.db2.gz JFMZEFCBZXPSBT-UHFFFAOYSA-N -1 1 394.431 3.034 20 30 GGEDMM C#Cc1cccc(N(Cc2ccco2)C(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000735391092 1427985427 /nfs/dbraw/zinc/98/54/27/1427985427.db2.gz LFYUMEFLPOXQGF-UHFFFAOYSA-N -1 1 399.410 3.053 20 30 GGEDMM O=C1C(=Cc2cnn(Cc3ccccc3)c2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504950 1427987860 /nfs/dbraw/zinc/98/78/60/1427987860.db2.gz WDOBTYKKCJDIKD-VCHYOVAHSA-N -1 1 382.427 3.324 20 30 GGEDMM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(OC)c1OC ZINC000821713226 1427991091 /nfs/dbraw/zinc/99/10/91/1427991091.db2.gz RZSGXYSZXNVLFH-ZSOIEALJSA-N -1 1 392.415 3.105 20 30 GGEDMM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cccc(Cl)c3[N+](=O)[O-])n2)cc1 ZINC000175953381 1427994117 /nfs/dbraw/zinc/99/41/17/1427994117.db2.gz BKJANFGKYXSLKM-UHFFFAOYSA-N -1 1 382.767 3.012 20 30 GGEDMM COc1ccc(C=NOCc2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000826190941 1427996979 /nfs/dbraw/zinc/99/69/79/1427996979.db2.gz RJZQRNUCJSIUKT-UHFFFAOYSA-N -1 1 377.326 3.445 20 30 GGEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826272044 1428013555 /nfs/dbraw/zinc/01/35/55/1428013555.db2.gz RSPRATRBVZNACY-UHFFFAOYSA-N -1 1 385.387 3.420 20 30 GGEDMM CC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000175998317 1428020486 /nfs/dbraw/zinc/02/04/86/1428020486.db2.gz JIYMSMQAOMZCPE-OAHLLOKOSA-N -1 1 376.409 3.394 20 30 GGEDMM N#Cc1ccc(-n2ccc(NCc3ccc(-c4nn[n-]n4)cc3F)n2)c(Cl)c1 ZINC000826384004 1428021208 /nfs/dbraw/zinc/02/12/08/1428021208.db2.gz BLGIZMGRJCZLKK-UHFFFAOYSA-N -1 1 394.801 3.329 20 30 GGEDMM CC[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000176011130 1428026069 /nfs/dbraw/zinc/02/60/69/1428026069.db2.gz RFKILZGNRUBCPN-HNNXBMFYSA-N -1 1 376.409 3.394 20 30 GGEDMM CC[C@](C)(C#N)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820847804 1428040561 /nfs/dbraw/zinc/04/05/61/1428040561.db2.gz MLTCCMHMDOFTAU-HXUWFJFHSA-N -1 1 376.420 3.390 20 30 GGEDMM CC(C)[C@@H](C#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000176047841 1428048309 /nfs/dbraw/zinc/04/83/09/1428048309.db2.gz ZXVWJPPJILDLEH-QGZVFWFLSA-N -1 1 394.399 3.471 20 30 GGEDMM CCN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)c(Cl)c1 ZINC000825366947 1428137784 /nfs/dbraw/zinc/13/77/84/1428137784.db2.gz HQFRTOKUXIRLBX-CSKARUKUSA-N -1 1 378.823 3.458 20 30 GGEDMM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000822233152 1429783063 /nfs/dbraw/zinc/78/30/63/1429783063.db2.gz ITRQTKOEWKZYQP-PKOBYXMFSA-N -1 1 388.431 3.153 20 30 GGEDMM N#Cc1c(NC(=O)c2ccc(-c3nn[n-]n3)cn2)sc2c1-c1ccccc1CC2 ZINC000737706778 1429788133 /nfs/dbraw/zinc/78/81/33/1429788133.db2.gz ZRZLEVYGPFOKGF-UHFFFAOYSA-N -1 1 399.439 3.213 20 30 GGEDMM Cn1cc(C#N)cc1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000822669981 1429830672 /nfs/dbraw/zinc/83/06/72/1429830672.db2.gz XJAHMNNJKKBVTA-UHFFFAOYSA-N -1 1 384.399 3.101 20 30 GGEDMM C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000180415885 1429862776 /nfs/dbraw/zinc/86/27/76/1429862776.db2.gz RWAUNQYLEIRWOV-UHFFFAOYSA-N -1 1 376.334 3.103 20 30 GGEDMM N#Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3[O-])CC2)c(F)c1 ZINC000180478950 1429878932 /nfs/dbraw/zinc/87/89/32/1429878932.db2.gz HQXBWPKVIGOVLR-UHFFFAOYSA-N -1 1 393.340 3.384 20 30 GGEDMM N#Cc1ccccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180478001 1429878991 /nfs/dbraw/zinc/87/89/91/1429878991.db2.gz NQQRZJXUVJRIQA-UHFFFAOYSA-N -1 1 375.350 3.245 20 30 GGEDMM CC(C)[C@@](C)(C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735690113 1429952249 /nfs/dbraw/zinc/95/22/49/1429952249.db2.gz HCOKJLQXFJMJNA-OAQYLSRUSA-N -1 1 390.447 3.114 20 30 GGEDMM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000737674277 1429988605 /nfs/dbraw/zinc/98/86/05/1429988605.db2.gz IGSAFKAFSMRBKP-FDMDGMSGSA-N -1 1 398.348 3.280 20 30 GGEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400068 1430006943 /nfs/dbraw/zinc/00/69/43/1430006943.db2.gz OBRYHZVEYQPUFN-SOFGYWHQSA-N -1 1 378.342 3.431 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000826246273 1430037626 /nfs/dbraw/zinc/03/76/26/1430037626.db2.gz YUUNKYRJAVUPAZ-AWEZNQCLSA-N -1 1 387.230 3.477 20 30 GGEDMM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccccc1C(C)(C)C#N ZINC000820550631 1430047585 /nfs/dbraw/zinc/04/75/85/1430047585.db2.gz YAKRNKCUNBAQDH-CQSZACIVSA-N -1 1 391.431 3.179 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CSc1ccc(C#N)cc1 ZINC000735420214 1430053147 /nfs/dbraw/zinc/05/31/47/1430053147.db2.gz NHVBHOYYFLOJLF-UHFFFAOYSA-N -1 1 390.472 3.045 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(OCC)c(Cl)c1 ZINC000735420728 1430085352 /nfs/dbraw/zinc/08/53/52/1430085352.db2.gz RCJBWWWMRPECCO-UHFFFAOYSA-N -1 1 398.854 3.142 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736514260 1430095165 /nfs/dbraw/zinc/09/51/65/1430095165.db2.gz WZTATFWFPQWNQZ-OAHLLOKOSA-N -1 1 390.447 3.067 20 30 GGEDMM C=CCCCN(C)C(=O)c1cccc(COc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735413088 1430106903 /nfs/dbraw/zinc/10/69/03/1430106903.db2.gz OCSQHYZHWIWCPX-UHFFFAOYSA-N -1 1 377.448 3.484 20 30 GGEDMM N#CCc1ccc(NC(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000822813972 1430116303 /nfs/dbraw/zinc/11/63/03/1430116303.db2.gz AEYBEGWSNUCEJH-UHFFFAOYSA-N -1 1 384.852 3.317 20 30 GGEDMM N#C[C@H](C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000826379108 1430120553 /nfs/dbraw/zinc/12/05/53/1430120553.db2.gz JFQCDNGZJGOWEA-LLVKDONJSA-N -1 1 395.835 3.462 20 30 GGEDMM N#Cc1cccc(OCCC[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000826386976 1430130415 /nfs/dbraw/zinc/13/04/15/1430130415.db2.gz ANUDWRPMRLYTHG-UHFFFAOYSA-N -1 1 386.459 3.297 20 30 GGEDMM C=CCOc1ccccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000819759322 1430135297 /nfs/dbraw/zinc/13/52/97/1430135297.db2.gz UIBVGNOLLKGARO-UHFFFAOYSA-N -1 1 379.420 3.471 20 30 GGEDMM Cn1cc(C=C2Cc3cc(F)ccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359545 1430143381 /nfs/dbraw/zinc/14/33/81/1430143381.db2.gz KGFQOWZWHFFMCB-OQLLNIDSSA-N -1 1 386.390 3.229 20 30 GGEDMM C=CCn1c(SCc2ccnc(-c3nnn[n-]3)c2)nnc1-c1ccccc1C ZINC000823937282 1430150632 /nfs/dbraw/zinc/15/06/32/1430150632.db2.gz PXGICNMICBWGNL-UHFFFAOYSA-N -1 1 390.476 3.307 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000735451012 1430179754 /nfs/dbraw/zinc/17/97/54/1430179754.db2.gz MQVAZXRQGKUQFG-UHFFFAOYSA-N -1 1 390.325 3.450 20 30 GGEDMM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000736183106 1430186653 /nfs/dbraw/zinc/18/66/53/1430186653.db2.gz RDQAHFXKNCZJHN-ZDUSSCGKSA-N -1 1 376.420 3.268 20 30 GGEDMM N#Cc1cc(NC(=O)CSCc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000737708061 1430188483 /nfs/dbraw/zinc/18/84/83/1430188483.db2.gz CSPYVFAZYCFIIB-UHFFFAOYSA-N -1 1 384.852 3.264 20 30 GGEDMM CSc1cc(C(=O)[C@H](C#N)c2nc(=O)c3c4c(sc3[n-]2)CCCC4)ccn1 ZINC000181396285 1430288370 /nfs/dbraw/zinc/28/83/70/1430288370.db2.gz CEENCHOTNKWHQX-LBPRGKRZSA-N -1 1 396.497 3.470 20 30 GGEDMM Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000183005707 1430590661 /nfs/dbraw/zinc/59/06/61/1430590661.db2.gz HBKFZDZKFYQBDC-UHFFFAOYSA-N -1 1 391.880 3.158 20 30 GGEDMM N#CC(=C([O-])c1c[nH]nc1-c1c(F)cccc1F)c1nnc2n1CCCCC2 ZINC000184292049 1430868921 /nfs/dbraw/zinc/86/89/21/1430868921.db2.gz UQBVRTHKXHVAAB-LLVKDONJSA-N -1 1 382.374 3.163 20 30 GGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cc1 ZINC000184881573 1431011544 /nfs/dbraw/zinc/01/15/44/1431011544.db2.gz YDEIWAJZPYXZRE-HNNXBMFYSA-N -1 1 390.436 3.108 20 30 GGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)ccc1F ZINC000184883499 1431011952 /nfs/dbraw/zinc/01/19/52/1431011952.db2.gz PSRFZZOAWKANQZ-GFCCVEGCSA-N -1 1 394.399 3.053 20 30 GGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)ccc1F ZINC000184883517 1431012039 /nfs/dbraw/zinc/01/20/39/1431012039.db2.gz PSRFZZOAWKANQZ-LBPRGKRZSA-N -1 1 394.399 3.053 20 30 GGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(CCc2ccccc2C)[nH]n1 ZINC000185698674 1431210162 /nfs/dbraw/zinc/21/01/62/1431210162.db2.gz AEYMBXZEQSSJDH-UHFFFAOYSA-N -1 1 396.472 3.184 20 30 GGEDMM CCOc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc(Cl)c1[O-] ZINC000186747447 1431506889 /nfs/dbraw/zinc/50/68/89/1431506889.db2.gz ZWEXVPUWCJDLKX-UHFFFAOYSA-N -1 1 385.851 3.278 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[O-] ZINC000187895676 1431825022 /nfs/dbraw/zinc/82/50/22/1431825022.db2.gz QJAFHUVJCSJJHF-INIZCTEOSA-N -1 1 392.390 3.473 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1[O-] ZINC000187895650 1431825052 /nfs/dbraw/zinc/82/50/52/1431825052.db2.gz QJAFHUVJCSJJHF-MRXNPFEDSA-N -1 1 392.390 3.473 20 30 GGEDMM CC[C@H](CC#N)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000188058430 1431840897 /nfs/dbraw/zinc/84/08/97/1431840897.db2.gz LGCPVLHGLNRTGF-MRXNPFEDSA-N -1 1 376.409 3.476 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc1[O-] ZINC000188372785 1431878278 /nfs/dbraw/zinc/87/82/78/1431878278.db2.gz LKGJPBJHLATOAI-FQEVSTJZSA-N -1 1 385.423 3.244 20 30 GGEDMM CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188563936 1431895387 /nfs/dbraw/zinc/89/53/87/1431895387.db2.gz SVDKCDGDEUXACB-NRFANRHFSA-N -1 1 399.450 3.268 20 30 GGEDMM CC(C)(COc1ccc(C(F)(F)F)cn1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188960408 1432017037 /nfs/dbraw/zinc/01/70/37/1432017037.db2.gz KLGAYGLBFGKQJV-UHFFFAOYSA-N -1 1 379.338 3.265 20 30 GGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)cc1[O-] ZINC000189223487 1432066132 /nfs/dbraw/zinc/06/61/32/1432066132.db2.gz FQCIUJHAVRGKPC-CQSZACIVSA-N -1 1 375.350 3.291 20 30 GGEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1[O-] ZINC000190105303 1432320384 /nfs/dbraw/zinc/32/03/84/1432320384.db2.gz GERUYTFQOVUOKK-SFHVURJKSA-N -1 1 378.432 3.080 20 30 GGEDMM COc1cc(CNC(=O)c2ccc(C#N)c([O-])c2)ccc1OCC(F)(F)F ZINC000190712019 1432451381 /nfs/dbraw/zinc/45/13/81/1432451381.db2.gz BGOZCPOACGFMSE-UHFFFAOYSA-N -1 1 380.322 3.144 20 30 GGEDMM CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190879555 1432516741 /nfs/dbraw/zinc/51/67/41/1432516741.db2.gz VDNCREGNIXLNPT-UHFFFAOYSA-N -1 1 378.407 3.498 20 30 GGEDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)c(C)c1 ZINC000192128227 1432802684 /nfs/dbraw/zinc/80/26/84/1432802684.db2.gz FLMXQEPBCZIUEU-HNNXBMFYSA-N -1 1 392.502 3.098 20 30 GGEDMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 ZINC000192128206 1432802693 /nfs/dbraw/zinc/80/26/93/1432802693.db2.gz IJOUFBPPTYOYEX-CQSZACIVSA-N -1 1 392.502 3.297 20 30 GGEDMM O=C1c2ccccc2S(=O)(=O)C/C1=C/c1ccc([O-])c(Br)c1 ZINC000192882239 1432902834 /nfs/dbraw/zinc/90/28/34/1432902834.db2.gz XOQQHUFEWBFYEH-XFFZJAGNSA-N -1 1 379.231 3.208 20 30 GGEDMM Cc1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1C#N ZINC000193005060 1432920762 /nfs/dbraw/zinc/92/07/62/1432920762.db2.gz XNGCVVZEGOULDQ-UHFFFAOYSA-N -1 1 392.440 3.315 20 30 GGEDMM N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)c1ccc(Cl)cc1[O-] ZINC000193117193 1432938867 /nfs/dbraw/zinc/93/88/67/1432938867.db2.gz XNVAYDDULPJUMQ-UHFFFAOYSA-N -1 1 395.850 3.048 20 30 GGEDMM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2cnn(C(C)C)c2n1 ZINC000193261252 1432969551 /nfs/dbraw/zinc/96/95/51/1432969551.db2.gz AKSCYXMKGQXUPR-OAHLLOKOSA-N -1 1 377.452 3.129 20 30 GGEDMM Cc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)c2cnn(C(C)C)c2n1 ZINC000193261268 1432969716 /nfs/dbraw/zinc/96/97/16/1432969716.db2.gz AKSCYXMKGQXUPR-HNNXBMFYSA-N -1 1 377.452 3.129 20 30 GGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000193356820 1432985151 /nfs/dbraw/zinc/98/51/51/1432985151.db2.gz ZMHIYEXNJUUHKU-AWEZNQCLSA-N -1 1 390.436 3.108 20 30 GGEDMM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cc2ccccc2[nH]c1=O ZINC000193475797 1433005239 /nfs/dbraw/zinc/00/52/39/1433005239.db2.gz DDKSTMSTCBPFGJ-ZDUSSCGKSA-N -1 1 383.766 3.282 20 30 GGEDMM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(F)cc3nc[nH]c32)C1=O ZINC000193712585 1433045143 /nfs/dbraw/zinc/04/51/43/1433045143.db2.gz SUTYMDITDIYJIV-IBGZPJMESA-N -1 1 389.431 3.018 20 30 GGEDMM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(F)cc3nc[nH]c32)C1=O ZINC000193712573 1433045263 /nfs/dbraw/zinc/04/52/63/1433045263.db2.gz SUTYMDITDIYJIV-LJQANCHMSA-N -1 1 389.431 3.018 20 30 GGEDMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000194142723 1433125491 /nfs/dbraw/zinc/12/54/91/1433125491.db2.gz HBVDBZODCUWJQL-UHFFFAOYSA-N -1 1 392.502 3.001 20 30 GGEDMM C=CCSCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000194491641 1433186589 /nfs/dbraw/zinc/18/65/89/1433186589.db2.gz WUHDSCJXWOCVMI-UHFFFAOYSA-N -1 1 394.493 3.276 20 30 GGEDMM C[C@H](CC#N)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000194663484 1433212559 /nfs/dbraw/zinc/21/25/59/1433212559.db2.gz MRYUSVIQRYJLFK-LLVKDONJSA-N -1 1 395.843 3.312 20 30 GGEDMM CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000195068495 1433287837 /nfs/dbraw/zinc/28/78/37/1433287837.db2.gz AYVIAACYFCZBCN-HNNXBMFYSA-N -1 1 384.505 3.377 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1C(=O)N(C)C(C)C ZINC000195343650 1433321014 /nfs/dbraw/zinc/32/10/14/1433321014.db2.gz VSLBULPHHQLMRH-UHFFFAOYSA-N -1 1 385.489 3.456 20 30 GGEDMM CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cc1 ZINC000209628277 1433356025 /nfs/dbraw/zinc/35/60/25/1433356025.db2.gz RVSJTLXIXLXSND-WAPJZHGLSA-N -1 1 396.262 3.422 20 30 GGEDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CCC#N)Cc1ccco1 ZINC000263819264 1434037599 /nfs/dbraw/zinc/03/75/99/1434037599.db2.gz QDXLWFICJXCILO-UHFFFAOYSA-N -1 1 391.431 3.021 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@@H](C)CC#N)cc2)ccc1F ZINC000264063373 1434067946 /nfs/dbraw/zinc/06/79/46/1434067946.db2.gz MLACLOARUJEXRP-AWEZNQCLSA-N -1 1 389.452 3.309 20 30 GGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)[C@H](C)CC#N)cc2)ccc1F ZINC000264063375 1434068050 /nfs/dbraw/zinc/06/80/50/1434068050.db2.gz MLACLOARUJEXRP-CQSZACIVSA-N -1 1 389.452 3.309 20 30 GGEDMM Cc1ccc(NC(=O)C2(C#N)CCOCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000264550349 1434127021 /nfs/dbraw/zinc/12/70/21/1434127021.db2.gz XFXVNCVOVIVFFL-UHFFFAOYSA-N -1 1 399.472 3.055 20 30 GGEDMM CCN(CCC#N)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000267325548 1434423112 /nfs/dbraw/zinc/42/31/12/1434423112.db2.gz AYXOWZQSJUYOEA-UHFFFAOYSA-N -1 1 389.452 3.311 20 30 GGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 ZINC000267536069 1434444302 /nfs/dbraw/zinc/44/43/02/1434444302.db2.gz SQBBOCOUIFMLPC-SFHVURJKSA-N -1 1 385.489 3.464 20 30 GGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 ZINC000267536068 1434444418 /nfs/dbraw/zinc/44/44/18/1434444418.db2.gz SQBBOCOUIFMLPC-GOSISDBHSA-N -1 1 385.489 3.464 20 30 GGEDMM N#CCCN(CC1CC1)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000268645267 1434544044 /nfs/dbraw/zinc/54/40/44/1434544044.db2.gz PXSJHXHIAIUUTB-UHFFFAOYSA-N -1 1 385.342 3.269 20 30 GGEDMM COC(=O)c1c[n-]c(SCC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)n1 ZINC000274902490 1435102538 /nfs/dbraw/zinc/10/25/38/1435102538.db2.gz IJMHTSKOIYRHIS-UHFFFAOYSA-N -1 1 392.868 3.197 20 30 GGEDMM C=C[C@@H](CC(=O)N1CCC(c2nc(C(=O)OCC)n[n-]2)CC1)c1ccccc1 ZINC000277867728 1435337505 /nfs/dbraw/zinc/33/75/05/1435337505.db2.gz YLBRCHUIFVCSBH-HNNXBMFYSA-N -1 1 382.464 3.047 20 30 GGEDMM COC(=O)c1cnc(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)[n-]1 ZINC000278578025 1435401770 /nfs/dbraw/zinc/40/17/70/1435401770.db2.gz FJUICPOMHWQLCJ-CQSZACIVSA-N -1 1 386.477 3.241 20 30 GGEDMM COC(=O)c1c[n-]c(S[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 ZINC000278578025 1435401771 /nfs/dbraw/zinc/40/17/71/1435401771.db2.gz FJUICPOMHWQLCJ-CQSZACIVSA-N -1 1 386.477 3.241 20 30 GGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1C(=O)N1CCCCC1 ZINC000278618025 1435406482 /nfs/dbraw/zinc/40/64/82/1435406482.db2.gz WTNOJOGQCVEQBC-UHFFFAOYSA-N -1 1 383.473 3.294 20 30 GGEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000278748564 1435419654 /nfs/dbraw/zinc/41/96/54/1435419654.db2.gz JHBNHLLQZVFLNJ-RTBURBONSA-N -1 1 386.473 3.407 20 30 GGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(CN2CCCCC2=O)c1 ZINC000279960201 1435569721 /nfs/dbraw/zinc/56/97/21/1435569721.db2.gz NXZFNTOQELXBHY-UHFFFAOYSA-N -1 1 383.473 3.066 20 30 GGEDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CC(C)(C#N)C2)c1 ZINC000280473223 1435666620 /nfs/dbraw/zinc/66/66/20/1435666620.db2.gz NDRBLUANBAZUFP-UHFFFAOYSA-N -1 1 383.473 3.090 20 30 GGEDMM N#Cc1cc(Cl)ccc1COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826383855 1441456814 /nfs/dbraw/zinc/45/68/14/1441456814.db2.gz UOMHBUBVMOFPKJ-UHFFFAOYSA-N -1 1 375.722 3.027 20 30 GGEDMM COc1ccc(-c2nnn[n-]2)cc1CSc1nc2c(c(C)c1C#N)CCC2 ZINC000821752923 1441462731 /nfs/dbraw/zinc/46/27/31/1441462731.db2.gz WFBRVNYMKLKRAM-UHFFFAOYSA-N -1 1 378.461 3.231 20 30 GGEDMM COc1ccc(CSCCCOc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826208008 1441462830 /nfs/dbraw/zinc/46/28/30/1441462830.db2.gz OSTDXUCKXRZNTN-UHFFFAOYSA-N -1 1 381.461 3.449 20 30 GGEDMM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822819521 1441462857 /nfs/dbraw/zinc/46/28/57/1441462857.db2.gz UFQBNOFOGNYSAX-UHFFFAOYSA-N -1 1 391.284 3.253 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820161326 1441484378 /nfs/dbraw/zinc/48/43/78/1441484378.db2.gz VKKFOYSLFUTNLF-UHFFFAOYSA-N -1 1 376.420 3.097 20 30 GGEDMM N#Cc1cnc2ccccc2c1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822842493 1441486486 /nfs/dbraw/zinc/48/64/86/1441486486.db2.gz KWFYRKVJTMBKBG-UHFFFAOYSA-N -1 1 397.442 3.334 20 30 GGEDMM Cc1c(C#N)cccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000822015423 1441491493 /nfs/dbraw/zinc/49/14/93/1441491493.db2.gz JJMQXUQXHPAQIV-UHFFFAOYSA-N -1 1 375.436 3.489 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2c[nH]nc2-c2ccccc2F)o1 ZINC000824141509 1441539895 /nfs/dbraw/zinc/53/98/95/1441539895.db2.gz JBBWSZXAZOWBIR-UHFFFAOYSA-N -1 1 395.402 3.127 20 30 GGEDMM Fc1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000737648322 1441611752 /nfs/dbraw/zinc/61/17/52/1441611752.db2.gz INMIPNZNEBYWHB-UHFFFAOYSA-N -1 1 383.271 3.323 20 30 GGEDMM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000825972257 1441645157 /nfs/dbraw/zinc/64/51/57/1441645157.db2.gz YEGFVLPRCCXTNX-SFHVURJKSA-N -1 1 375.436 3.053 20 30 GGEDMM Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1Br ZINC000826296249 1441659299 /nfs/dbraw/zinc/65/92/99/1441659299.db2.gz OQVLHNFWSFWBCH-UHFFFAOYSA-N -1 1 383.209 3.062 20 30 GGEDMM Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737246872 1441660789 /nfs/dbraw/zinc/66/07/89/1441660789.db2.gz OYVYXYZTQLQVIZ-UHFFFAOYSA-N -1 1 376.420 3.071 20 30 GGEDMM Cn1cc(C=CC(=O)c2cccc(C#N)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359811 1441672147 /nfs/dbraw/zinc/67/21/47/1441672147.db2.gz QUJDWELCQUJYPU-MDZDMXLPSA-N -1 1 381.399 3.035 20 30 GGEDMM N#Cc1ccsc1NC(=O)c1ccc(COc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737728314 1441687718 /nfs/dbraw/zinc/68/77/18/1441687718.db2.gz LZQFEPRGVGVZNW-UHFFFAOYSA-N -1 1 392.400 3.224 20 30 GGEDMM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000736189070 1441703631 /nfs/dbraw/zinc/70/36/31/1441703631.db2.gz AIPCUDLFNJBCLZ-JTQLQIEISA-N -1 1 396.501 3.408 20 30 GGEDMM N#Cc1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c(F)c1 ZINC000826385687 1441734326 /nfs/dbraw/zinc/73/43/26/1441734326.db2.gz XBTCTEVXMCHIPZ-UHFFFAOYSA-N -1 1 379.399 3.075 20 30 GGEDMM C=CCN(Cc1cnc([C@H]2CCCO2)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914751 1441750507 /nfs/dbraw/zinc/75/05/07/1441750507.db2.gz MUUGDLKKVDGLEM-QGZVFWFLSA-N -1 1 382.493 3.363 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CC)c1nc(C)cs1 ZINC000735420029 1441767563 /nfs/dbraw/zinc/76/75/63/1441767563.db2.gz MBIFCYBCRPKLAE-INIZCTEOSA-N -1 1 397.508 3.481 20 30 GGEDMM CC[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825081887 1441776485 /nfs/dbraw/zinc/77/64/85/1441776485.db2.gz OCVYOQRARTVFDN-ZDUSSCGKSA-N -1 1 376.420 3.269 20 30 GGEDMM COc1ccc(C=NNc2ccc(Br)cc2C)cc1-c1nnn[n-]1 ZINC000737082268 1441777267 /nfs/dbraw/zinc/77/72/67/1441777267.db2.gz GRFFLPHOWSMVCG-UHFFFAOYSA-N -1 1 387.241 3.392 20 30 GGEDMM COc1cc(C)c(C(C)N=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)cc1OC ZINC000737041487 1441782946 /nfs/dbraw/zinc/78/29/46/1441782946.db2.gz UWEUADFPEIMUDL-UHFFFAOYSA-N -1 1 399.455 3.314 20 30 GGEDMM CC(C)(C)c1cc(NC(=O)COc2ccc(C#N)cc2)c(-c2nnn[n-]2)s1 ZINC000824131153 1441790240 /nfs/dbraw/zinc/79/02/40/1441790240.db2.gz UYVQTOWWQGPXDG-UHFFFAOYSA-N -1 1 382.449 3.115 20 30 GGEDMM Cn1cc(C=CC(=O)c2cnc3[nH]cccc2-3)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359815 1441813140 /nfs/dbraw/zinc/81/31/40/1441813140.db2.gz RBPRYKBGJLJUGS-CMDGGOBGSA-N -1 1 396.414 3.040 20 30 GGEDMM COc1cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc(Cl)c1O ZINC000737043533 1441823203 /nfs/dbraw/zinc/82/32/03/1441823203.db2.gz XETYIAHRJGRGPI-AATRIKPKSA-N -1 1 399.838 3.187 20 30 GGEDMM N#CCCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737688178 1441839446 /nfs/dbraw/zinc/83/94/46/1441839446.db2.gz QZBBBNBPYKXADK-UHFFFAOYSA-N -1 1 377.408 3.474 20 30 GGEDMM Brc1cncc(NN=C2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000823831960 1441841137 /nfs/dbraw/zinc/84/11/37/1441841137.db2.gz HJIIMARDZBYVHK-UHFFFAOYSA-N -1 1 384.241 3.177 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(C)noc1C(F)(F)F ZINC000819745493 1441880232 /nfs/dbraw/zinc/88/02/32/1441880232.db2.gz GHIIIROBUWQSKG-UHFFFAOYSA-N -1 1 392.341 3.010 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822802261 1441905164 /nfs/dbraw/zinc/90/51/64/1441905164.db2.gz YFZWIHQXJWLXBM-OALUTQOASA-N -1 1 383.459 3.391 20 30 GGEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822802261 1441905167 /nfs/dbraw/zinc/90/51/67/1441905167.db2.gz YFZWIHQXJWLXBM-OALUTQOASA-N -1 1 383.459 3.391 20 30 GGEDMM N#Cc1ccc(-c2nnc(COc3cc(Cl)ccc3-c3nnn[n-]3)o2)cc1 ZINC000822822897 1441919556 /nfs/dbraw/zinc/91/95/56/1441919556.db2.gz HEZMIJWKGLDYMT-UHFFFAOYSA-N -1 1 379.767 3.021 20 30 GGEDMM COc1cccc(-c2n[nH]cc2C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821854118 1441934484 /nfs/dbraw/zinc/93/44/84/1441934484.db2.gz DXWJJOAELPDFOR-GDNBJRDFSA-N -1 1 398.426 3.478 20 30 GGEDMM C#CC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)c1ccccc1 ZINC000823838769 1441987443 /nfs/dbraw/zinc/98/74/43/1441987443.db2.gz UJGHDWMCBPWGBK-CQSZACIVSA-N -1 1 398.373 3.354 20 30 GGEDMM C#CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000823837886 1442007470 /nfs/dbraw/zinc/00/74/70/1442007470.db2.gz IKCVVKASZNHYSJ-KRWDZBQOSA-N -1 1 385.387 3.500 20 30 GGEDMM C#CC(C)(C)NC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735376137 1442022936 /nfs/dbraw/zinc/02/29/36/1442022936.db2.gz ZBKKFOQYQRJEJW-UHFFFAOYSA-N -1 1 381.823 3.454 20 30 GGEDMM CCc1nn(C)c(CC)c1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825754998 1442032814 /nfs/dbraw/zinc/03/28/14/1442032814.db2.gz MSFZLMWLMVGBBV-UHFFFAOYSA-N -1 1 392.389 3.190 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1c[nH]c2cc(C)ccc12 ZINC000735419918 1442034468 /nfs/dbraw/zinc/03/44/68/1442034468.db2.gz KCJPHAGQKXVTIQ-UHFFFAOYSA-N -1 1 386.459 3.414 20 30 GGEDMM C=CCOc1ccccc1CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823931992 1442035400 /nfs/dbraw/zinc/03/54/00/1442035400.db2.gz KBBCJBQQDQTGPQ-FQEVSTJZSA-N -1 1 377.448 3.005 20 30 GGEDMM C=CCN(C(=O)c1ccc(-c2nn[n-]n2)nc1)c1nc(-c2ccccc2)cs1 ZINC000735416712 1442053039 /nfs/dbraw/zinc/05/30/39/1442053039.db2.gz PHPJZAHJMXEOGR-UHFFFAOYSA-N -1 1 389.444 3.218 20 30 GGEDMM Cc1cc(C)cc(N(CCC#N)C(=O)CNc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822196255 1442056954 /nfs/dbraw/zinc/05/69/54/1442056954.db2.gz BELLMPWYORPUCG-UHFFFAOYSA-N -1 1 389.463 3.151 20 30 GGEDMM Cc1cc(Cl)cc2c1OCC(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000737265818 1442090672 /nfs/dbraw/zinc/09/06/72/1442090672.db2.gz ZVFPUHQLXAEDSH-LFYBBSHMSA-N -1 1 392.806 3.135 20 30 GGEDMM C=CCn1c(=O)[nH]nc1SCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000819765797 1442121878 /nfs/dbraw/zinc/12/18/78/1442121878.db2.gz RPCREMYNLHZLGW-UHFFFAOYSA-N -1 1 391.460 3.309 20 30 GGEDMM CCCOc1c(C=NNCc2ccc(-c3nnn[n-]3)cc2)cccc1OCC ZINC000821127549 1442143975 /nfs/dbraw/zinc/14/39/75/1442143975.db2.gz IPPNXCCODKIQTL-UHFFFAOYSA-N -1 1 380.452 3.178 20 30 GGEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819745570 1442178659 /nfs/dbraw/zinc/17/86/59/1442178659.db2.gz KGXBDLNNKBEEIX-UHFFFAOYSA-N -1 1 397.370 3.134 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CC3(CCC3)Oc3ccccc32)o1 ZINC000820196734 1442181554 /nfs/dbraw/zinc/18/15/54/1442181554.db2.gz BEGSUXDRXXHTHF-UHFFFAOYSA-N -1 1 379.424 3.500 20 30 GGEDMM C[C@@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000820549069 1442207049 /nfs/dbraw/zinc/20/70/49/1442207049.db2.gz JPUVQPSPZFAHCW-LLVKDONJSA-N -1 1 390.900 3.343 20 30 GGEDMM N#Cc1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737718117 1442254231 /nfs/dbraw/zinc/25/42/31/1442254231.db2.gz FMRYSDZUKPSQOH-UHFFFAOYSA-N -1 1 387.831 3.017 20 30 GGEDMM C[C@@H](CSc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820294018 1442256762 /nfs/dbraw/zinc/25/67/62/1442256762.db2.gz QHKOJYGUBBGOSK-NSHDSACASA-N -1 1 382.424 3.244 20 30 GGEDMM O=C1c2c3ccccc3[nH]c2CCC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826477170 1442264824 /nfs/dbraw/zinc/26/48/24/1442264824.db2.gz WWZFIXDIDZLJCC-XFXZXTDPSA-N -1 1 381.399 3.208 20 30 GGEDMM COc1cc(C#N)cc(Br)c1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000821702844 1442308433 /nfs/dbraw/zinc/30/84/33/1442308433.db2.gz COZCKLHDLSKJPN-UHFFFAOYSA-N -1 1 386.209 3.088 20 30 GGEDMM CC[C@@H](SC)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825159352 1442308917 /nfs/dbraw/zinc/30/89/17/1442308917.db2.gz NVLFIRMIBCQHTO-TZMCWYRMSA-N -1 1 384.490 3.308 20 30 GGEDMM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820937798 1442324047 /nfs/dbraw/zinc/32/40/47/1442324047.db2.gz DDYFNVDVSQSFSC-OAHLLOKOSA-N -1 1 382.811 3.188 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000823915426 1442329056 /nfs/dbraw/zinc/32/90/56/1442329056.db2.gz XVFPGNJUNCWNRW-FQEVSTJZSA-N -1 1 389.459 3.199 20 30 GGEDMM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C)cc1Br ZINC000826260262 1442349397 /nfs/dbraw/zinc/34/93/97/1442349397.db2.gz DRYCFJYYZKBXOX-UHFFFAOYSA-N -1 1 397.236 3.370 20 30 GGEDMM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)c1c[nH]c(C#N)c1 ZINC000826272203 1442421163 /nfs/dbraw/zinc/42/11/63/1442421163.db2.gz YPJAUECDKLTXCQ-UHFFFAOYSA-N -1 1 399.414 3.206 20 30 GGEDMM C=CCSCCNC(=O)c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735436602 1442441793 /nfs/dbraw/zinc/44/17/93/1442441793.db2.gz OVRZLWNIOGZUMS-UHFFFAOYSA-N -1 1 399.451 3.447 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnc(C)nc1C ZINC000735450683 1442450527 /nfs/dbraw/zinc/45/05/27/1442450527.db2.gz CFDLXUAFXBLFBU-UHFFFAOYSA-N -1 1 376.346 3.128 20 30 GGEDMM CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820882168 1442463232 /nfs/dbraw/zinc/46/32/32/1442463232.db2.gz LSBWWEIJAXITLH-BXUZGUMPSA-N -1 1 394.460 3.403 20 30 GGEDMM N#C[C@H](NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826379963 1442483679 /nfs/dbraw/zinc/48/36/79/1442483679.db2.gz IKEMSVIUHAYTMM-HNNXBMFYSA-N -1 1 376.445 3.050 20 30 GGEDMM COc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1-c1nnn[n-]1 ZINC000737082281 1443073883 /nfs/dbraw/zinc/07/38/83/1443073883.db2.gz GXTYQRXHURXSSS-UHFFFAOYSA-N -1 1 377.433 3.445 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000735419002 1443076426 /nfs/dbraw/zinc/07/64/26/1443076426.db2.gz ODGPXMCAWMMDIX-HNNXBMFYSA-N -1 1 377.448 3.194 20 30 GGEDMM COc1ccc(CCC(C)=NOCc2cc(-c3nnn[n-]3)ccc2OC)cc1 ZINC000826191310 1443080288 /nfs/dbraw/zinc/08/02/88/1443080288.db2.gz CKRYOEBNVNDMOQ-UHFFFAOYSA-N -1 1 381.436 3.409 20 30 GGEDMM C#CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1OCC ZINC000823856132 1443132774 /nfs/dbraw/zinc/13/27/74/1443132774.db2.gz KGVZTJFXCAYCFJ-ALCCZGGFSA-N -1 1 380.429 3.235 20 30 GGEDMM C[C@@H](CC#N)N(C)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000820219909 1443136263 /nfs/dbraw/zinc/13/62/63/1443136263.db2.gz LGIYPBNWDFSDQC-ZDUSSCGKSA-N -1 1 377.408 3.425 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnn(CCCC)c1C ZINC000819746079 1443151642 /nfs/dbraw/zinc/15/16/42/1443151642.db2.gz ZPKJPDSTEDFXFS-UHFFFAOYSA-N -1 1 379.468 3.000 20 30 GGEDMM C[C@H](Nc1cccc(C#N)n1)c1ccc(CNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824662269 1443169618 /nfs/dbraw/zinc/16/96/18/1443169618.db2.gz HARPUTPHXZKIPJ-AWEZNQCLSA-N -1 1 397.446 3.314 20 30 GGEDMM N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822825500 1443181842 /nfs/dbraw/zinc/18/18/42/1443181842.db2.gz IBZXGQJNSPKPLW-UHFFFAOYSA-N -1 1 392.366 3.005 20 30 GGEDMM C=CCSCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735437112 1443213234 /nfs/dbraw/zinc/21/32/34/1443213234.db2.gz XGIWOVAAVOUGDD-UHFFFAOYSA-N -1 1 395.488 3.095 20 30 GGEDMM C[C@H](C#N)CNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735505581 1443239001 /nfs/dbraw/zinc/23/90/01/1443239001.db2.gz RKOQPRMQABUWMA-LLVKDONJSA-N -1 1 382.811 3.202 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)nnn1-c1ccc(C)cc1 ZINC000822224805 1443278846 /nfs/dbraw/zinc/27/88/46/1443278846.db2.gz ARVYGXQAJWFIIM-VQHVLOKHSA-N -1 1 377.433 3.022 20 30 GGEDMM C#CCOc1cc(F)ccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819709859 1443285060 /nfs/dbraw/zinc/28/50/60/1443285060.db2.gz RUCPGGARIDKWDF-UHFFFAOYSA-N -1 1 389.337 3.231 20 30 GGEDMM N#C[C@H](NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000822801844 1443287042 /nfs/dbraw/zinc/28/70/42/1443287042.db2.gz PLQLGNKATGKRMU-INIZCTEOSA-N -1 1 376.445 3.050 20 30 GGEDMM C=CCc1cc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc(OC)c1OC ZINC000735442545 1443295060 /nfs/dbraw/zinc/29/50/60/1443295060.db2.gz FUZDMQYNWVOKIJ-UHFFFAOYSA-N -1 1 386.843 3.273 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000735418132 1443314675 /nfs/dbraw/zinc/31/46/75/1443314675.db2.gz BLSYGCGUVPXRBC-UHFFFAOYSA-N -1 1 398.810 3.257 20 30 GGEDMM C=CCn1c(Sc2ccc(-c3nnn[n-]3)cn2)nnc1-c1ccc(C)cc1 ZINC000819766336 1443318238 /nfs/dbraw/zinc/31/82/38/1443318238.db2.gz WZCJMIJEXZVDMF-UHFFFAOYSA-N -1 1 376.449 3.166 20 30 GGEDMM N#Cc1ccc(N2CCC[C@H](Sc3ccc(-c4nnn[n-]4)cc3F)C2=O)cc1 ZINC000826385555 1443342812 /nfs/dbraw/zinc/34/28/12/1443342812.db2.gz QXXDTROHAXREFX-KRWDZBQOSA-N -1 1 394.435 3.165 20 30 GGEDMM Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826257017 1443361511 /nfs/dbraw/zinc/36/15/11/1443361511.db2.gz KFHJJAIOFAFHRD-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM C[C@H](Sc1ccc(Cl)cc1-c1nnn[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000820549070 1443414247 /nfs/dbraw/zinc/41/42/47/1443414247.db2.gz JPUVQPSPZFAHCW-NSHDSACASA-N -1 1 390.900 3.343 20 30 GGEDMM N#C[C@@H](OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000822801530 1443459011 /nfs/dbraw/zinc/45/90/11/1443459011.db2.gz KIYIQXVAQYWUPO-MRXNPFEDSA-N -1 1 377.429 3.477 20 30 GGEDMM C#CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC)c1ccccc1 ZINC000823838610 1443517883 /nfs/dbraw/zinc/51/78/83/1443517883.db2.gz RXMFVEHCQBRNCN-INIZCTEOSA-N -1 1 376.420 3.152 20 30 GGEDMM C#C[C@@H](Cc1ccccc1)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823839098 1443530347 /nfs/dbraw/zinc/53/03/47/1443530347.db2.gz ZMUPUODMHDDXIR-IBGZPJMESA-N -1 1 390.443 3.204 20 30 GGEDMM C#CCOc1ccc(F)cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819709793 1443535867 /nfs/dbraw/zinc/53/58/67/1443535867.db2.gz PJOUGALXZKACQG-UHFFFAOYSA-N -1 1 389.337 3.231 20 30 GGEDMM C=CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)CC1CCCCC1 ZINC000819745385 1443545471 /nfs/dbraw/zinc/54/54/71/1443545471.db2.gz AKYKOJPGPIOGMF-UHFFFAOYSA-N -1 1 379.468 3.485 20 30 GGEDMM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccccc1C(C)(C)C#N ZINC000822505268 1443565315 /nfs/dbraw/zinc/56/53/15/1443565315.db2.gz FYGWOXAQWNYJSB-UHFFFAOYSA-N -1 1 384.447 3.283 20 30 GGEDMM COc1ccc(-c2nc3ccc(-c4nnn[n-]4)cc3[nH]2)cc1OCCCC#N ZINC000826182074 1443567536 /nfs/dbraw/zinc/56/75/36/1443567536.db2.gz ZCQWZSPWNYEOGA-UHFFFAOYSA-N -1 1 375.392 3.101 20 30 GGEDMM C(=NO[C@@H]1CCCCO1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823868244 1443583912 /nfs/dbraw/zinc/58/39/12/1443583912.db2.gz SBDDAIXHSDBAKL-LJQANCHMSA-N -1 1 379.420 3.323 20 30 GGEDMM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822802206 1443659004 /nfs/dbraw/zinc/65/90/04/1443659004.db2.gz WVCBLCGZIIUQEN-YOEHRIQHSA-N -1 1 390.472 3.440 20 30 GGEDMM N#Cc1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822819526 1443661341 /nfs/dbraw/zinc/66/13/41/1443661341.db2.gz UJJNKVJPZLJZOF-UHFFFAOYSA-N -1 1 387.153 3.201 20 30 GGEDMM N#CCOc1ccc(Cl)cc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737698126 1443677527 /nfs/dbraw/zinc/67/75/27/1443677527.db2.gz TYYUVDNFCSIYOT-UHFFFAOYSA-N -1 1 391.822 3.334 20 30 GGEDMM N#Cc1ccc(NC(=O)c2ccccc2Oc2cccnc2)cc1-c1nn[n-]n1 ZINC000737718397 1443678883 /nfs/dbraw/zinc/67/88/83/1443678883.db2.gz IWXXSQPLLIONEI-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM C=CCC[C@H](NC(=O)[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734994 1443682236 /nfs/dbraw/zinc/68/22/36/1443682236.db2.gz YKYHUGBWJVWCEU-KXBFYZLASA-N -1 1 377.448 3.458 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc3c(c2)CCO3)cnn1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737202172 1443697975 /nfs/dbraw/zinc/69/79/75/1443697975.db2.gz KZCHGCNAWQPDKG-KRXBUXKQSA-N -1 1 398.426 3.192 20 30 GGEDMM CC(C)C[C@@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735757125 1443728145 /nfs/dbraw/zinc/72/81/45/1443728145.db2.gz TWRCKZXWWOJDBV-SFHVURJKSA-N -1 1 375.436 3.278 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820842091 1443777003 /nfs/dbraw/zinc/77/70/03/1443777003.db2.gz JKGVSMKBRPIULC-AWEZNQCLSA-N -1 1 395.398 3.008 20 30 GGEDMM C[C@H](NC(=S)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820403706 1443777375 /nfs/dbraw/zinc/77/73/75/1443777375.db2.gz LJYUVSKNMLQPEV-JTQLQIEISA-N -1 1 383.868 3.439 20 30 GGEDMM N#CCCCCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737688748 1443783801 /nfs/dbraw/zinc/78/38/01/1443783801.db2.gz XRDYKMWELIZNHU-UHFFFAOYSA-N -1 1 377.404 3.296 20 30 GGEDMM CCCCCCC[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736447727 1443791039 /nfs/dbraw/zinc/79/10/39/1443791039.db2.gz SZBPPOIEYWUOQA-ZDUSSCGKSA-N -1 1 390.463 3.057 20 30 GGEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1F ZINC000826387293 1443791694 /nfs/dbraw/zinc/79/16/94/1443791694.db2.gz OBZOLMHIISEEHU-UHFFFAOYSA-N -1 1 389.350 3.250 20 30 GGEDMM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000825627145 1443825046 /nfs/dbraw/zinc/82/50/46/1443825046.db2.gz VEDUUILMIIBUHZ-INIZCTEOSA-N -1 1 391.435 3.432 20 30 GGEDMM N#CC1(COC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000826379787 1443853357 /nfs/dbraw/zinc/85/33/57/1443853357.db2.gz BODSLZQMFFUNNM-UHFFFAOYSA-N -1 1 393.403 3.279 20 30 GGEDMM N#Cc1ccc(OC2CCC(Nc3ccc(-c4nn[n-]n4)cc3F)CC2)nc1 ZINC000826386280 1443856967 /nfs/dbraw/zinc/85/69/67/1443856967.db2.gz XCHIFKJENRUEHD-UHFFFAOYSA-N -1 1 379.399 3.075 20 30 GGEDMM S=c1[nH]nc(-c2ccccc2Cl)n1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823738435 1443871880 /nfs/dbraw/zinc/87/18/80/1443871880.db2.gz VKFCBMVYWBZKQA-UHFFFAOYSA-N -1 1 388.869 3.011 20 30 GGEDMM S=c1[nH]nc(-c2ccccc2Cl)n1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823738435 1443871882 /nfs/dbraw/zinc/87/18/82/1443871882.db2.gz VKFCBMVYWBZKQA-UHFFFAOYSA-N -1 1 388.869 3.011 20 30 GGEDMM N#Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737716256 1443885053 /nfs/dbraw/zinc/88/50/53/1443885053.db2.gz NVOWIZSBRLJLBN-UHFFFAOYSA-N -1 1 388.815 3.262 20 30 GGEDMM N#Cc1cc(N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c2ccccc2n1 ZINC000822822732 1443886409 /nfs/dbraw/zinc/88/64/09/1443886409.db2.gz DPGOHPRTPNDWLD-UHFFFAOYSA-N -1 1 396.458 3.003 20 30 GGEDMM C[C@@H](NC(=O)NC[C@H](C)C#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824034053 1443892425 /nfs/dbraw/zinc/89/24/25/1443892425.db2.gz GJNOWEFZKCBYEX-ZIAGYGMSSA-N -1 1 375.436 3.054 20 30 GGEDMM Fc1cc(-c2nnn[n-]2)ccc1CN1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000737637640 1443893219 /nfs/dbraw/zinc/89/32/19/1443893219.db2.gz ANOVHESIIZMQGK-UHFFFAOYSA-N -1 1 383.271 3.323 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)CCc1ccc(C)o1 ZINC000819743652 1443902483 /nfs/dbraw/zinc/90/24/83/1443902483.db2.gz NJDJTFDJYKPHBH-OAHLLOKOSA-N -1 1 394.479 3.487 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccc(-n3cccn3)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202385 1443913049 /nfs/dbraw/zinc/91/30/49/1443913049.db2.gz LUOROYPOPQAZHI-YFHOEESVSA-N -1 1 385.431 3.005 20 30 GGEDMM N#CC1(COC(=O)c2ccc(Sc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000826379845 1443916543 /nfs/dbraw/zinc/91/65/43/1443916543.db2.gz DXJXNABEPDNNCZ-UHFFFAOYSA-N -1 1 377.429 3.478 20 30 GGEDMM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000822802205 1443921218 /nfs/dbraw/zinc/92/12/18/1443921218.db2.gz WVCBLCGZIIUQEN-WMLDXEAASA-N -1 1 390.472 3.440 20 30 GGEDMM N#CCCCOc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826381403 1443936139 /nfs/dbraw/zinc/93/61/39/1443936139.db2.gz KJUKQBAOIDCTDN-UHFFFAOYSA-N -1 1 382.815 3.044 20 30 GGEDMM Cc1cccc(-c2n[nH]cc2C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826295594 1443947044 /nfs/dbraw/zinc/94/70/44/1443947044.db2.gz OOKQUOAZJZVLIO-UHFFFAOYSA-N -1 1 379.815 3.060 20 30 GGEDMM N#Cc1ccc(NC(=S)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1Cl ZINC000826385203 1443973507 /nfs/dbraw/zinc/97/35/07/1443973507.db2.gz BHJCTBHYFOWLKA-UHFFFAOYSA-N -1 1 381.852 3.151 20 30 GGEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)COc2ccc(Br)cc21 ZINC000823503063 1443980178 /nfs/dbraw/zinc/98/01/78/1443980178.db2.gz ASMJNDXHHGEBFF-YVMONPNESA-N -1 1 389.234 3.349 20 30 GGEDMM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000736818920 1443985557 /nfs/dbraw/zinc/98/55/57/1443985557.db2.gz ZMVMJWPTPVOTHN-UHFFFAOYSA-N -1 1 399.361 3.004 20 30 GGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C[C@H]2CCOC2)c2ccccc2)o1 ZINC000824280436 1443991729 /nfs/dbraw/zinc/99/17/29/1443991729.db2.gz NQMWXAHRAFDFDE-CQSZACIVSA-N -1 1 395.467 3.296 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc(-c2ccoc2)n1 ZINC000735420337 1443995005 /nfs/dbraw/zinc/99/50/05/1443995005.db2.gz OWZVBCVQQGSVDQ-UHFFFAOYSA-N -1 1 392.444 3.412 20 30 GGEDMM N#Cc1cc(NC(=O)c2ncoc2-c2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC000737709167 1443996757 /nfs/dbraw/zinc/99/67/57/1443996757.db2.gz ITOJYJJOAVBTJL-UHFFFAOYSA-N -1 1 391.778 3.299 20 30 GGEDMM COc1ccc(C=CC(=O)c2cnn(-c3ccc(-c4nnn[n-]4)cc3)c2C)cc1 ZINC000737080725 1444035111 /nfs/dbraw/zinc/03/51/11/1444035111.db2.gz GZHJLATYBWTIEO-LFYBBSHMSA-N -1 1 386.415 3.266 20 30 GGEDMM C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736166971 1446123133 /nfs/dbraw/zinc/12/31/33/1446123133.db2.gz BLCSDDNNFPUOHS-ZDUSSCGKSA-N -1 1 390.447 3.442 20 30 GGEDMM N#CCCN(CCC#N)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826381593 1446134967 /nfs/dbraw/zinc/13/49/67/1446134967.db2.gz RFDZPGWFHXIJPT-UHFFFAOYSA-N -1 1 387.447 3.075 20 30 GGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c[nH]c(-c2ccccc2)n1 ZINC000735418561 1446135824 /nfs/dbraw/zinc/13/58/24/1446135824.db2.gz GUUNSKBWPUENTL-UHFFFAOYSA-N -1 1 385.431 3.085 20 30 GGEDMM Cc1c(C(=O)C=Cc2cnn(-c3ccccc3)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201661 1446154372 /nfs/dbraw/zinc/15/43/72/1446154372.db2.gz FZAXJXJZUIOHOR-KTKRTIGZSA-N -1 1 385.431 3.005 20 30 GGEDMM C#CCN(CC#CC)C(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823846150 1446157168 /nfs/dbraw/zinc/15/71/68/1446157168.db2.gz ZVOCPEIIYWDKHM-KRWDZBQOSA-N -1 1 398.470 3.263 20 30 GGEDMM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000820120825 1446172345 /nfs/dbraw/zinc/17/23/45/1446172345.db2.gz KPRSECDXSVCNOA-UHFFFAOYSA-N -1 1 382.374 3.067 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cn1ccc(-c2ccsc2)n1 ZINC000735425539 1446206412 /nfs/dbraw/zinc/20/64/12/1446206412.db2.gz BUWBIJCUINCHKC-UHFFFAOYSA-N -1 1 377.477 3.437 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccc(Oc3ccccc3)nc2)ccc1-c1nn[n-]n1 ZINC000737709997 1446210451 /nfs/dbraw/zinc/21/04/51/1446210451.db2.gz TVRPGHABVBBURR-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM N#C[C@@H](C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000826379030 1446226955 /nfs/dbraw/zinc/22/69/55/1446226955.db2.gz HNFVVZAITBVHNB-LBPRGKRZSA-N -1 1 395.835 3.462 20 30 GGEDMM CC1(C)CSC(=NCc2ccccc2)N1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820607258 1446228952 /nfs/dbraw/zinc/22/89/52/1446228952.db2.gz NXPNTRORWFZDHW-HTXNQAPBSA-N -1 1 398.517 3.452 20 30 GGEDMM N#Cc1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000737716228 1446230519 /nfs/dbraw/zinc/23/05/19/1446230519.db2.gz NBOSWIZGNFBMIU-UHFFFAOYSA-N -1 1 387.428 3.043 20 30 GGEDMM C=CCN(Cc1ccc(N2CCCC2)nc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823909392 1446233842 /nfs/dbraw/zinc/23/38/42/1446233842.db2.gz BLNGPTUGHLOBCP-UHFFFAOYSA-N -1 1 375.480 3.050 20 30 GGEDMM C=CCN(Cc1ccc(N2CCCC2)nc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823909392 1446233844 /nfs/dbraw/zinc/23/38/44/1446233844.db2.gz BLNGPTUGHLOBCP-UHFFFAOYSA-N -1 1 375.480 3.050 20 30 GGEDMM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000825371713 1446274700 /nfs/dbraw/zinc/27/47/00/1446274700.db2.gz ITKAPYVMRAEQHZ-UHFFFAOYSA-N -1 1 390.447 3.341 20 30 GGEDMM Cc1sc(NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c(C#N)c1C ZINC000822554111 1446292074 /nfs/dbraw/zinc/29/20/74/1446292074.db2.gz UOTFHOGSVNYURB-UHFFFAOYSA-N -1 1 382.449 3.213 20 30 GGEDMM N#CCOc1ccc(CNc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000826382349 1446299035 /nfs/dbraw/zinc/29/90/35/1446299035.db2.gz ZSQQDAUOMLYCOL-UHFFFAOYSA-N -1 1 385.225 3.144 20 30 GGEDMM C#Cc1cccc(NC(=S)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000823861475 1446336961 /nfs/dbraw/zinc/33/69/61/1446336961.db2.gz JYBNLVLPFGSFQC-UHFFFAOYSA-N -1 1 386.484 3.334 20 30 GGEDMM C[C@H](Nc1ccc(CC#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736139774 1446352445 /nfs/dbraw/zinc/35/24/45/1446352445.db2.gz QWIKHDDTYQIPBM-NSHDSACASA-N -1 1 381.827 3.025 20 30 GGEDMM CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820882330 1446395859 /nfs/dbraw/zinc/39/58/59/1446395859.db2.gz PJPSKZWLEVYENG-IAQYHMDHSA-N -1 1 394.460 3.403 20 30 GGEDMM N#Cc1cccc(-c2nnc(CNc3ccc(Cl)c(-c4nnn[n-]4)c3)o2)c1 ZINC000822837207 1446398504 /nfs/dbraw/zinc/39/85/04/1446398504.db2.gz JKXWOYUGXDTPGM-UHFFFAOYSA-N -1 1 378.783 3.054 20 30 GGEDMM Fc1cc(F)c(NN=Cc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000737645296 1446399732 /nfs/dbraw/zinc/39/97/32/1446399732.db2.gz WCWZAFXDGINVLO-UHFFFAOYSA-N -1 1 379.168 3.353 20 30 GGEDMM Fc1cc(F)c(N=NCc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000737645296 1446399737 /nfs/dbraw/zinc/39/97/37/1446399737.db2.gz WCWZAFXDGINVLO-UHFFFAOYSA-N -1 1 379.168 3.353 20 30 GGEDMM Fc1cc(F)c(N=NCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000737645296 1446399741 /nfs/dbraw/zinc/39/97/41/1446399741.db2.gz WCWZAFXDGINVLO-UHFFFAOYSA-N -1 1 379.168 3.353 20 30 GGEDMM CCCOc1ccc(C=NOCc2ccc(F)cc2-c2nnn[n-]2)cc1OC ZINC000736489949 1446400101 /nfs/dbraw/zinc/40/01/01/1446400101.db2.gz FZFMZGHPSYVAEN-UHFFFAOYSA-N -1 1 385.399 3.354 20 30 GGEDMM Cc1ccc(-c2n[nH]cc2C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826273432 1446406682 /nfs/dbraw/zinc/40/66/82/1446406682.db2.gz DDGKGABBBKHPCY-UHFFFAOYSA-N -1 1 379.815 3.060 20 30 GGEDMM C=CCn1c(SCc2cc(F)ccc2-c2nnn[n-]2)nnc1-c1cccnc1 ZINC000819764740 1446413759 /nfs/dbraw/zinc/41/37/59/1446413759.db2.gz KPSUGSKHIPTPOX-UHFFFAOYSA-N -1 1 394.439 3.138 20 30 GGEDMM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(Cl)c1OC ZINC000826178821 1446452863 /nfs/dbraw/zinc/45/28/63/1446452863.db2.gz NXMMBKMQQWIDGS-ONEGZZNKSA-N -1 1 376.825 3.495 20 30 GGEDMM N#CC1(NC(=O)c2cccc(Oc3cccc(Cl)c3-c3nnn[n-]3)c2)CC1 ZINC000737678462 1446474478 /nfs/dbraw/zinc/47/44/78/1446474478.db2.gz ILNMWMLCMVJLDW-UHFFFAOYSA-N -1 1 380.795 3.098 20 30 GGEDMM CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000820882171 1446494777 /nfs/dbraw/zinc/49/47/77/1446494777.db2.gz LSBWWEIJAXITLH-SMDDNHRTSA-N -1 1 394.460 3.403 20 30 GGEDMM C#CCOc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000735379924 1446573820 /nfs/dbraw/zinc/57/38/20/1446573820.db2.gz AATPLQYFWFIDOL-UHFFFAOYSA-N -1 1 384.852 3.341 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822801372 1446582959 /nfs/dbraw/zinc/58/29/59/1446582959.db2.gz HXUSEBGHTOCSOK-RTWAWAEBSA-N -1 1 388.475 3.407 20 30 GGEDMM C=C1CCN(C(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)CC1 ZINC000735402428 1446599339 /nfs/dbraw/zinc/59/93/39/1446599339.db2.gz ARBMGGHGDKGARC-UHFFFAOYSA-N -1 1 375.432 3.238 20 30 GGEDMM CC(C)N(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735859522 1446619489 /nfs/dbraw/zinc/61/94/89/1446619489.db2.gz VBHFRFGNNZGHFW-UHFFFAOYSA-N -1 1 376.420 3.423 20 30 GGEDMM CC(C)(C)[C@H](C#N)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000819899821 1446634690 /nfs/dbraw/zinc/63/46/90/1446634690.db2.gz ZXNBIGNZINXVKS-SFHVURJKSA-N -1 1 390.447 3.114 20 30 GGEDMM COc1cccc(-c2n[nH]cc2C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821854119 1446667606 /nfs/dbraw/zinc/66/76/06/1446667606.db2.gz DXWJJOAELPDFOR-XNTDXEJSSA-N -1 1 398.426 3.478 20 30 GGEDMM C=CCC(CC=C)C(=O)OCc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000819733891 1446671730 /nfs/dbraw/zinc/67/17/30/1446671730.db2.gz DUEYGCQEHQQTTE-UHFFFAOYSA-N -1 1 378.436 3.172 20 30 GGEDMM N#Cc1cccc(CC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000826386526 1446683751 /nfs/dbraw/zinc/68/37/51/1446683751.db2.gz IPTVUGOLRIGUDM-UHFFFAOYSA-N -1 1 394.438 3.264 20 30 GGEDMM C[C@H](Nc1ccc(C#N)cn1)c1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000824657615 1446688753 /nfs/dbraw/zinc/68/87/53/1446688753.db2.gz RQWXSJXPKDZZOT-AWEZNQCLSA-N -1 1 397.446 3.314 20 30 GGEDMM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000736481556 1446721721 /nfs/dbraw/zinc/72/17/21/1446721721.db2.gz QUKDHTZNNRSSMB-UHFFFAOYSA-N -1 1 379.399 3.322 20 30 GGEDMM C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321603 1446727568 /nfs/dbraw/zinc/72/75/68/1446727568.db2.gz JILOWTKMRJYNIJ-OAHLLOKOSA-N -1 1 390.447 3.165 20 30 GGEDMM Cc1ccc(-c2cncc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2)cc1 ZINC000822214211 1446736916 /nfs/dbraw/zinc/73/69/16/1446736916.db2.gz UPQBFOJHBVZDFC-UHFFFAOYSA-N -1 1 381.399 3.361 20 30 GGEDMM N#Cc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4nnn[n-]4)cc3)c2)cc1 ZINC000737719259 1446740415 /nfs/dbraw/zinc/74/04/15/1446740415.db2.gz RYHVOQMONAEIGR-UHFFFAOYSA-N -1 1 395.426 3.412 20 30 GGEDMM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1cccc(C#N)c1F ZINC000824207053 1446789863 /nfs/dbraw/zinc/78/98/63/1446789863.db2.gz ONKWNNISSJVNJJ-SFHVURJKSA-N -1 1 395.394 3.024 20 30 GGEDMM N#Cc1ccc(NC(=O)CCc2ccccc2Br)cc1-c1nnn[n-]1 ZINC000737716907 1446802066 /nfs/dbraw/zinc/80/20/66/1446802066.db2.gz WNTQHMVYGALVFJ-UHFFFAOYSA-N -1 1 397.236 3.072 20 30 GGEDMM CC(=NNc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)c(F)cc1O ZINC000823958599 1446804015 /nfs/dbraw/zinc/80/40/15/1446804015.db2.gz SCMMWEHFCJPHPM-UHFFFAOYSA-N -1 1 391.204 3.310 20 30 GGEDMM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)c(F)cc1O ZINC000823958599 1446804020 /nfs/dbraw/zinc/80/40/20/1446804020.db2.gz SCMMWEHFCJPHPM-UHFFFAOYSA-N -1 1 391.204 3.310 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000819745731 1446807897 /nfs/dbraw/zinc/80/78/97/1446807897.db2.gz QLPPBJBMCSJTMG-OXJNMPFZSA-N -1 1 388.475 3.032 20 30 GGEDMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736236389 1446829329 /nfs/dbraw/zinc/82/93/29/1446829329.db2.gz JAVJPBYOBKWQEP-SKDZVZGDSA-N -1 1 382.468 3.154 20 30 GGEDMM CC(C)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1-c1ccccc1 ZINC000820187479 1446841957 /nfs/dbraw/zinc/84/19/57/1446841957.db2.gz CVRWZNRUAOUODH-UHFFFAOYSA-N -1 1 398.430 3.300 20 30 GGEDMM CCc1c(C)sc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1C#N ZINC000736669281 1446884667 /nfs/dbraw/zinc/88/46/67/1446884667.db2.gz CBBNSRDDAXVSMC-JTQLQIEISA-N -1 1 382.449 3.077 20 30 GGEDMM C=CC1CCN(C(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000735403044 1446900609 /nfs/dbraw/zinc/90/06/09/1446900609.db2.gz OEMNSOLBJVHINW-UHFFFAOYSA-N -1 1 395.492 3.344 20 30 GGEDMM C=CCCCCCN(C)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823894866 1446904498 /nfs/dbraw/zinc/90/44/98/1446904498.db2.gz YOPXTLJALNXHBA-UHFFFAOYSA-N -1 1 398.446 3.402 20 30 GGEDMM C=C(C)[C@@H](CC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC)OCC ZINC000823874081 1446907280 /nfs/dbraw/zinc/90/72/80/1446907280.db2.gz SEELFCBCOKLONM-CYBMUJFWSA-N -1 1 380.832 3.196 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000735418502 1446930857 /nfs/dbraw/zinc/93/08/57/1446930857.db2.gz GALIYFHEWSUGPT-ZDUSSCGKSA-N -1 1 383.481 3.090 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)no2)ccc1-c1nn[n-]n1 ZINC000737709207 1446955409 /nfs/dbraw/zinc/95/54/09/1446955409.db2.gz LJCBKZGZGSNUNO-UHFFFAOYSA-N -1 1 391.778 3.299 20 30 GGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(C)C2(C#N)CCC2)cc1 ZINC000822135497 1446963590 /nfs/dbraw/zinc/96/35/90/1446963590.db2.gz CJNBWFIQNZFQLG-UHFFFAOYSA-N -1 1 388.431 3.486 20 30 GGEDMM N#Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CCC2)cc1-c1nnn[n-]1 ZINC000737717262 1446975976 /nfs/dbraw/zinc/97/59/76/1446975976.db2.gz BMGKLKXCNAJCRK-UHFFFAOYSA-N -1 1 378.823 3.452 20 30 GGEDMM C[C@@H](NC(=O)N(C)C[C@H](C)C#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824034929 1446993931 /nfs/dbraw/zinc/99/39/31/1446993931.db2.gz QMVIFHSRPJEWKE-HUUCEWRRSA-N -1 1 389.463 3.396 20 30 GGEDMM N#Cc1ccc(N2CC[C@H](Sc3ccc(-c4nnn[n-]4)cc3Cl)C2=O)cc1 ZINC000826385489 1447026701 /nfs/dbraw/zinc/02/67/01/1447026701.db2.gz OLMMXBBMRJELMT-INIZCTEOSA-N -1 1 396.863 3.289 20 30 GGEDMM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc(C#N)c1 ZINC000824705488 1447129562 /nfs/dbraw/zinc/12/95/62/1447129562.db2.gz BVDHCHTZWVMBAG-ZDUSSCGKSA-N -1 1 377.404 3.200 20 30 GGEDMM Cc1c(C(=O)C=Cc2ccn(-c3ccccc3)n2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826234274 1447133481 /nfs/dbraw/zinc/13/34/81/1447133481.db2.gz OMDUEYGZLZHPNV-KTKRTIGZSA-N -1 1 385.431 3.005 20 30 GGEDMM C=CC1CCN(C(=O)c2ccc(OCc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000735402506 1447155437 /nfs/dbraw/zinc/15/54/37/1447155437.db2.gz CWQKFQKMHPEAPP-UHFFFAOYSA-N -1 1 389.459 3.484 20 30 GGEDMM COc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1C#N ZINC000826203521 1447157272 /nfs/dbraw/zinc/15/72/72/1447157272.db2.gz SFZKUZJPFJYKBS-UHFFFAOYSA-N -1 1 393.357 3.185 20 30 GGEDMM C=CCN(CCc1ccco1)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823909734 1447194083 /nfs/dbraw/zinc/19/40/83/1447194083.db2.gz PDQDEUJNWHGBAA-UHFFFAOYSA-N -1 1 375.436 3.011 20 30 GGEDMM C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2OC)cc1 ZINC000819729483 1447201732 /nfs/dbraw/zinc/20/17/32/1447201732.db2.gz HDACORGOGKLANZ-LBPRGKRZSA-N -1 1 380.408 3.364 20 30 GGEDMM C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819744075 1447205740 /nfs/dbraw/zinc/20/57/40/1447205740.db2.gz VJYMDSAAJKCWJF-OAHLLOKOSA-N -1 1 392.463 3.334 20 30 GGEDMM CCOc1ccc(C=NOCCCOc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000736644247 1447206428 /nfs/dbraw/zinc/20/64/28/1447206428.db2.gz VPIUSEKSHINPEA-UHFFFAOYSA-N -1 1 397.435 3.094 20 30 GGEDMM N#Cc1ccc(S[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000826386015 1447206506 /nfs/dbraw/zinc/20/65/06/1447206506.db2.gz LNKITZGBTOGBFR-KRWDZBQOSA-N -1 1 376.445 3.026 20 30 GGEDMM Clc1cc(-c2nnn[n-]2)cc(NN=C2CC3(CCC3)Oc3ccccc32)n1 ZINC000826350156 1447230238 /nfs/dbraw/zinc/23/02/38/1447230238.db2.gz KKKNZZHMWPHHNT-UHFFFAOYSA-N -1 1 381.827 3.437 20 30 GGEDMM Clc1cc(-c2nn[n-]n2)cc(N=NC2CC3(CCC3)Oc3ccccc32)n1 ZINC000826350156 1447230242 /nfs/dbraw/zinc/23/02/42/1447230242.db2.gz KKKNZZHMWPHHNT-UHFFFAOYSA-N -1 1 381.827 3.437 20 30 GGEDMM N#Cc1cc(NC(=O)c2ccc(C3SCCS3)cc2)ccc1-c1nnn[n-]1 ZINC000737709327 1447237289 /nfs/dbraw/zinc/23/72/89/1447237289.db2.gz MTWHCKGIBPPAEW-UHFFFAOYSA-N -1 1 394.485 3.469 20 30 GGEDMM N#Cc1ccc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(Cl)c1 ZINC000822833255 1447265808 /nfs/dbraw/zinc/26/58/08/1447265808.db2.gz MUVGGJZSGHAZFA-UHFFFAOYSA-N -1 1 378.783 3.054 20 30 GGEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000826400779 1447288330 /nfs/dbraw/zinc/28/83/30/1447288330.db2.gz HZSHVLPYXCMRNA-GORDUTHDSA-N -1 1 379.273 3.021 20 30 GGEDMM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)nnn1-c1ccc(Cl)cc1 ZINC000822014861 1447294490 /nfs/dbraw/zinc/29/44/90/1447294490.db2.gz AIRNBGMFLYNFNM-SREVYHEPSA-N -1 1 397.851 3.367 20 30 GGEDMM Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000737288988 1447306258 /nfs/dbraw/zinc/30/62/58/1447306258.db2.gz RLEIULQEHORJAL-AWEZNQCLSA-N -1 1 387.428 3.184 20 30 GGEDMM CCc1nnc(Nc2cccc(OCCCC#N)c2)c(-c2nn[n-]n2)c1CC ZINC000821548655 1447308438 /nfs/dbraw/zinc/30/84/38/1447308438.db2.gz SIISSDKJFWIOJW-UHFFFAOYSA-N -1 1 378.440 3.208 20 30 GGEDMM N#Cc1ccccc1Sc1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)cc1 ZINC000913744083 1449090806 /nfs/dbraw/zinc/09/08/06/1449090806.db2.gz ZPIJENBGWAUWHY-UHFFFAOYSA-N -1 1 390.472 3.242 20 30 GGEDMM C=CCc1ccccc1OS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000823937290 1449093055 /nfs/dbraw/zinc/09/30/55/1449093055.db2.gz QDZFKPBNEOCHDU-UHFFFAOYSA-N -1 1 376.825 3.016 20 30 GGEDMM N#C[C@H](NC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1)C1CC1 ZINC000737674264 1449158541 /nfs/dbraw/zinc/15/85/41/1449158541.db2.gz HVOZAIWGAVCTPE-INIZCTEOSA-N -1 1 394.822 3.344 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000735419961 1449234518 /nfs/dbraw/zinc/23/45/18/1449234518.db2.gz KWQYROJLTXGEID-FQEVSTJZSA-N -1 1 389.459 3.085 20 30 GGEDMM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1ccccc1Br ZINC000826184871 1449270234 /nfs/dbraw/zinc/27/02/34/1449270234.db2.gz NUIUZFZQJSNTGC-UHFFFAOYSA-N -1 1 388.225 3.189 20 30 GGEDMM Cc1cc(C)n(N=Cc2cc(C(F)(F)F)ccc2Cl)c(=O)c1-c1nnn[n-]1 ZINC000826265408 1449470588 /nfs/dbraw/zinc/47/05/88/1449470588.db2.gz XXAROVNOAOVCEJ-UHFFFAOYSA-N -1 1 396.760 3.200 20 30 GGEDMM N#CCN(C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1)C1CC1 ZINC000737692219 1449494581 /nfs/dbraw/zinc/49/45/81/1449494581.db2.gz DLKDBTRAEOBADX-UHFFFAOYSA-N -1 1 394.822 3.441 20 30 GGEDMM Cc1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(-c2ccccc2)s1 ZINC000826323760 1449539804 /nfs/dbraw/zinc/53/98/04/1449539804.db2.gz PXDJNJRARLJVHV-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735972977 1449604543 /nfs/dbraw/zinc/60/45/43/1449604543.db2.gz AQZPWSWTHMUUTM-CYBMUJFWSA-N -1 1 393.476 3.312 20 30 GGEDMM Cn1cc(C#N)cc1C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822665129 1449625896 /nfs/dbraw/zinc/62/58/96/1449625896.db2.gz JETCYUBAQUZVGP-UHFFFAOYSA-N -1 1 385.387 3.121 20 30 GGEDMM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000820087684 1449640478 /nfs/dbraw/zinc/64/04/78/1449640478.db2.gz WPOQOILEJYMWLS-UHFFFAOYSA-N -1 1 396.401 3.315 20 30 GGEDMM CCN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000821154073 1449670905 /nfs/dbraw/zinc/67/09/05/1449670905.db2.gz IIXZDOWKJIAUOV-NSHDSACASA-N -1 1 382.374 3.240 20 30 GGEDMM CC(C)(C)OCc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824119035 1449684026 /nfs/dbraw/zinc/68/40/26/1449684026.db2.gz AKLSEJBSKRXAAX-UHFFFAOYSA-N -1 1 376.420 3.306 20 30 GGEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820220341 1449722663 /nfs/dbraw/zinc/72/26/63/1449722663.db2.gz RMFKVVRHKVJQTD-ZDUSSCGKSA-N -1 1 378.461 3.442 20 30 GGEDMM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826234256 1449730986 /nfs/dbraw/zinc/73/09/86/1449730986.db2.gz OFNKKTGTOZSJPV-UHFFFAOYSA-N -1 1 397.442 3.327 20 30 GGEDMM CC(C)Oc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735915218 1449765698 /nfs/dbraw/zinc/76/56/98/1449765698.db2.gz MCMDOGONRWIDAT-UHFFFAOYSA-N -1 1 382.811 3.431 20 30 GGEDMM CC(C)CCN(CCC#N)CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820076111 1449784181 /nfs/dbraw/zinc/78/41/81/1449784181.db2.gz ASQSEFNPTVJBFL-UHFFFAOYSA-N -1 1 389.891 3.110 20 30 GGEDMM CC(C)CCN(CCC#N)CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820076111 1449784186 /nfs/dbraw/zinc/78/41/86/1449784186.db2.gz ASQSEFNPTVJBFL-UHFFFAOYSA-N -1 1 389.891 3.110 20 30 GGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C[C@H]2CCOC2)c2ccccc2)o1 ZINC000824352461 1449818499 /nfs/dbraw/zinc/81/84/99/1449818499.db2.gz FAYGINJPHCIGRV-CYBMUJFWSA-N -1 1 381.440 3.221 20 30 GGEDMM CCOc1ccc(NC(=S)NN=C(C)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000825643298 1449844865 /nfs/dbraw/zinc/84/48/65/1449844865.db2.gz LDTPZMPKUXTZPZ-UHFFFAOYSA-N -1 1 399.455 3.115 20 30 GGEDMM Cc1nc(-c2cccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2)cs1 ZINC000822418661 1449862881 /nfs/dbraw/zinc/86/28/81/1449862881.db2.gz CEHDZKNTMXNJDN-UHFFFAOYSA-N -1 1 387.428 3.423 20 30 GGEDMM CC(C)Oc1ccc(NC(=S)NN=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000820173392 1449898991 /nfs/dbraw/zinc/89/89/91/1449898991.db2.gz DCNOGRWISFAQJC-UHFFFAOYSA-N -1 1 399.455 3.114 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000819745964 1449900602 /nfs/dbraw/zinc/90/06/02/1449900602.db2.gz WVTMNKSIFUGFHP-UHFFFAOYSA-N -1 1 396.382 3.051 20 30 GGEDMM C[C@@H](OC(=O)CSCc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820497189 1449900630 /nfs/dbraw/zinc/90/06/30/1449900630.db2.gz QJGCBHUTXXFZNV-CYBMUJFWSA-N -1 1 379.445 3.276 20 30 GGEDMM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735652953 1449903885 /nfs/dbraw/zinc/90/38/85/1449903885.db2.gz ZCKLVQRNVASINO-UHFFFAOYSA-N -1 1 376.420 3.053 20 30 GGEDMM COCCC[C@H](C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826155184 1449905695 /nfs/dbraw/zinc/90/56/95/1449905695.db2.gz JFOHWRIBQXLULQ-WFASDCNBSA-N -1 1 396.476 3.229 20 30 GGEDMM C#CCCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000819693910 1449919979 /nfs/dbraw/zinc/91/99/79/1449919979.db2.gz YZBGTLUASRODTF-UHFFFAOYSA-N -1 1 381.823 3.456 20 30 GGEDMM CCN(C(=O)[C@H](C)Oc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825361689 1449983251 /nfs/dbraw/zinc/98/32/51/1449983251.db2.gz HGVBIUYNDHYKAO-LBPRGKRZSA-N -1 1 396.838 3.212 20 30 GGEDMM FC(F)Oc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000822733360 1450024018 /nfs/dbraw/zinc/02/40/18/1450024018.db2.gz ZJLFXQBOQLMDFC-UHFFFAOYSA-N -1 1 378.770 3.245 20 30 GGEDMM Fc1cccc(-n2ccc(NCC#Cc3cccc(Cl)c3)n2)c1-c1nnn[n-]1 ZINC000826376470 1450027386 /nfs/dbraw/zinc/02/73/86/1450027386.db2.gz FODCQWUVBABPFD-UHFFFAOYSA-N -1 1 393.813 3.309 20 30 GGEDMM COc1cc(-c2nnn[n-]2)ccc1OCc1ccc(C#N)cc1Br ZINC000826176534 1450030583 /nfs/dbraw/zinc/03/05/83/1450030583.db2.gz TTZDSDFIJDSFNA-UHFFFAOYSA-N -1 1 386.209 3.088 20 30 GGEDMM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCc1cn2ccccc2c1C#N ZINC000821699393 1450041275 /nfs/dbraw/zinc/04/12/75/1450041275.db2.gz OMXVMRAGVKRNAK-UHFFFAOYSA-N -1 1 380.795 3.232 20 30 GGEDMM C#CCCCCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823840744 1450047521 /nfs/dbraw/zinc/04/75/21/1450047521.db2.gz DGDFRMVLGFIDGA-UHFFFAOYSA-N -1 1 383.843 3.228 20 30 GGEDMM N#C[C@@H](C(=O)C[C@H]1CCCCO1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000822802256 1450050756 /nfs/dbraw/zinc/05/07/56/1450050756.db2.gz YFPMEVFKUXQPCZ-CABCVRRESA-N -1 1 394.460 3.126 20 30 GGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc(OC)cc1C ZINC000819745521 1450153784 /nfs/dbraw/zinc/15/37/84/1450153784.db2.gz HKDDCUBEMXKNOZ-UHFFFAOYSA-N -1 1 392.463 3.082 20 30 GGEDMM C=CCN(CC(=O)c1cc(C)n(C2CC2)c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740039 1450157532 /nfs/dbraw/zinc/15/75/32/1450157532.db2.gz MJRPDVUHBXBDCN-UHFFFAOYSA-N -1 1 390.491 3.491 20 30 GGEDMM Cc1nn(C)c(Cl)c1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737511285 1450165559 /nfs/dbraw/zinc/16/55/59/1450165559.db2.gz JHWKECVXIONVRR-UHFFFAOYSA-N -1 1 384.753 3.027 20 30 GGEDMM N#Cc1cc(NC(=O)c2cc(Oc3ccccc3)ccn2)ccc1-c1nn[n-]n1 ZINC000822823640 1450196925 /nfs/dbraw/zinc/19/69/25/1450196925.db2.gz VTQQDSSHGAOGAK-UHFFFAOYSA-N -1 1 383.371 3.178 20 30 GGEDMM N#Cc1ccc(CN(Cc2cccc(F)c2)c2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826384599 1450208938 /nfs/dbraw/zinc/20/89/38/1450208938.db2.gz BSYRIWNMNJPMBO-UHFFFAOYSA-N -1 1 385.406 3.479 20 30 GGEDMM N#Cc1ccc(SCC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737722568 1450219112 /nfs/dbraw/zinc/21/91/12/1450219112.db2.gz KPSBWWZUPSOMQL-UHFFFAOYSA-N -1 1 390.472 3.022 20 30 GGEDMM CCN(C[C@H](C)C#N)C(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000736514585 1450225725 /nfs/dbraw/zinc/22/57/25/1450225725.db2.gz ZXSMEGRMVXESPF-OAHLLOKOSA-N -1 1 390.447 3.067 20 30 GGEDMM CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000820841879 1450251895 /nfs/dbraw/zinc/25/18/95/1450251895.db2.gz GZTNBYOJMHAQNP-HNNXBMFYSA-N -1 1 391.435 3.178 20 30 GGEDMM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(-c2ccc(C#N)cc2)n1 ZINC000826359227 1450253235 /nfs/dbraw/zinc/25/32/35/1450253235.db2.gz AIVNZZVCWQHNDO-VQHVLOKHSA-N -1 1 399.389 3.174 20 30 GGEDMM COc1c(C)cc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1C ZINC000737023725 1450278477 /nfs/dbraw/zinc/27/84/77/1450278477.db2.gz MTMLFWRYIYUWQQ-FPLPWBNLSA-N -1 1 377.448 3.444 20 30 GGEDMM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc2c(s1)CCCC2 ZINC000822936535 1450292684 /nfs/dbraw/zinc/29/26/84/1450292684.db2.gz VJDDJZQPUKUBBP-VOTSOKGWSA-N -1 1 376.445 3.351 20 30 GGEDMM N#Cc1cccc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826386754 1450293468 /nfs/dbraw/zinc/29/34/68/1450293468.db2.gz RNJOXDFKDGLFFF-UHFFFAOYSA-N -1 1 395.394 3.170 20 30 GGEDMM C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736182369 1450303690 /nfs/dbraw/zinc/30/36/90/1450303690.db2.gz NSGVMQAYBWXGPT-ZDUSSCGKSA-N -1 1 390.447 3.442 20 30 GGEDMM N#C[C@@H](C(=O)Nc1cccc2ccccc21)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822802075 1450349009 /nfs/dbraw/zinc/34/90/09/1450349009.db2.gz VBQXQPJVNDNXRJ-CYBMUJFWSA-N -1 1 388.412 3.043 20 30 GGEDMM CC(C)(C)c1nc(-c2nnn[n-]2)c(N=NCc2cccc(OC(F)(F)F)c2)o1 ZINC000735656701 1450367912 /nfs/dbraw/zinc/36/79/12/1450367912.db2.gz MVYNDGWQWGSJGO-UHFFFAOYSA-N -1 1 395.345 3.497 20 30 GGEDMM CC(C)Oc1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000820166225 1450383503 /nfs/dbraw/zinc/38/35/03/1450383503.db2.gz ULTHUWOXCKYVRJ-UHFFFAOYSA-N -1 1 391.435 3.189 20 30 GGEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000822802047 1450408209 /nfs/dbraw/zinc/40/82/09/1450408209.db2.gz UOQUCRNCJKNDDN-AEFFLSMTSA-N -1 1 389.488 3.335 20 30 GGEDMM C#CCOc1ccc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)cc1 ZINC000735381725 1450412560 /nfs/dbraw/zinc/41/25/60/1450412560.db2.gz YTZZABKDCCJLFM-UHFFFAOYSA-N -1 1 389.459 3.177 20 30 GGEDMM N#CCOc1ccc(CNc2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)cc1 ZINC000822815481 1450414431 /nfs/dbraw/zinc/41/44/31/1450414431.db2.gz RLUAHNIWHFOZLS-UHFFFAOYSA-N -1 1 391.822 3.005 20 30 GGEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1Cn1cccn1 ZINC000821769714 1450416572 /nfs/dbraw/zinc/41/65/72/1450416572.db2.gz JYOZNDGDOCWDNJ-XQRVVYSFSA-N -1 1 392.444 3.078 20 30 GGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1OC(F)F ZINC000819772991 1450437287 /nfs/dbraw/zinc/43/72/87/1450437287.db2.gz NWYGHXPPSOYYSP-UHFFFAOYSA-N -1 1 376.342 3.121 20 30 GGEDMM Cc1c(C(C)N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)nnn1-c1ccccc1 ZINC000823958504 1450461149 /nfs/dbraw/zinc/46/11/49/1450461149.db2.gz PFIQNDIPEGOZCM-UHFFFAOYSA-N -1 1 393.842 3.245 20 30 GGEDMM FC(F)Oc1cccc(Cl)c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822737441 1450471834 /nfs/dbraw/zinc/47/18/34/1450471834.db2.gz VNZZMKIBCVUVJY-UHFFFAOYSA-N -1 1 378.770 3.245 20 30 GGEDMM